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eri_mme_lattice_summation.F
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1!--------------------------------------------------------------------------------------------------!
2! CP2K: A general program to perform molecular dynamics simulations !
3! Copyright 2000-2024 CP2K developers group <https://cp2k.org> !
4! !
5! SPDX-License-Identifier: GPL-2.0-or-later !
6!--------------------------------------------------------------------------------------------------!
7
8! **************************************************************************************************
9!> \brief Ewald sums to represent integrals in direct and reciprocal lattice.
10!> \par History
11!> 2015 09 created
12!> \author Patrick Seewald
13! **************************************************************************************************
14
15MODULE eri_mme_lattice_summation
16
17 USE ao_util, ONLY: exp_radius
18 USE eri_mme_gaussian, ONLY: create_gaussian_overlap_dist_to_hermite, &
19 create_hermite_to_cartesian, &
20 eri_mme_coulomb, eri_mme_yukawa, &
21 eri_mme_longrange
22 USE kinds, ONLY: dp, &
23 int_8
24 USE mathconstants, ONLY: gaussi, &
25 pi, &
26 twopi
27 USE orbital_pointers, ONLY: coset, &
28 indco, &
29 ncoset
30#include "../base/base_uses.f90"
31
32 IMPLICIT NONE
33
34 PRIVATE
35
36 LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .false.
37
38 CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'eri_mme_lattice_summation'
39
40 PUBLIC :: &
41 ellipsoid_bounds, &
42 eri_mme_2c_get_bounds, &
43 eri_mme_2c_get_rads, &
44 eri_mme_3c_get_bounds, &
45 eri_mme_3c_get_rads, &
46 get_l, &
47 pgf_sum_2c_gspace_1d, &
48 pgf_sum_2c_gspace_1d_deltal, &
49 pgf_sum_2c_gspace_3d, &
50 pgf_sum_2c_rspace_1d, &
51 pgf_sum_2c_rspace_3d, &
52 pgf_sum_3c_1d, &
53 pgf_sum_3c_3d
54
55 INTEGER, PARAMETER, PRIVATE :: exp_w = 50, div_w = 10
56
57CONTAINS
58
59! **************************************************************************************************
60!> \brief Get summation radii for 2c integrals
61!> \param la_max ...
62!> \param lb_max ...
63!> \param zeta ...
64!> \param zetb ...
65!> \param a_mm ...
66!> \param G_min ...
67!> \param R_min ...
68!> \param sum_precision ...
69!> \param G_rad ...
70!> \param R_rad ...
71! **************************************************************************************************
72 SUBROUTINE eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, G_min, R_min, sum_precision, G_rad, R_rad)
73 INTEGER, INTENT(IN) :: la_max, lb_max
74 REAL(kind=dp), INTENT(IN) :: zeta, zetb, a_mm, g_min, r_min, &
75 sum_precision
76 REAL(kind=dp), INTENT(OUT), OPTIONAL :: g_rad, r_rad
77
78 INTEGER :: l_max
79 REAL(kind=dp) :: alpha_g, alpha_r, g_res, r_res
80
81 l_max = la_max + lb_max
82 alpha_g = a_mm + 0.25_dp/zeta + 0.25_dp/zetb
83 alpha_r = 0.25_dp/alpha_g
84
85 g_res = 0.5_dp*g_min
86 r_res = 0.5_dp*r_min
87
88 IF (PRESENT(g_rad)) g_rad = exp_radius(l_max, alpha_g, sum_precision, 1.0_dp, epsabs=g_res)
89 IF (PRESENT(r_rad)) r_rad = exp_radius(l_max, alpha_r, sum_precision, 1.0_dp, epsabs=r_res)
90
91 END SUBROUTINE
92
93! **************************************************************************************************
94!> \brief Get summation radii for 3c integrals
95!> \param la_max ...
96!> \param lb_max ...
97!> \param lc_max ...
98!> \param zeta ...
99!> \param zetb ...
100!> \param zetc ...
101!> \param a_mm ...
102!> \param G_min ...
103!> \param R_min ...
104!> \param sum_precision ...
105!> \param G_rads_1 ...
106!> \param R_rads_2 ...
107!> \param R_rads_3 ...
108! **************************************************************************************************
109 SUBROUTINE eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, G_min, R_min, &
110 sum_precision, G_rads_1, R_rads_2, R_rads_3)
111 INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
112 REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
113 REAL(kind=dp), INTENT(IN), OPTIONAL :: g_min, r_min
114 REAL(kind=dp), INTENT(IN) :: sum_precision
115 REAL(kind=dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: g_rads_1, r_rads_2
116 REAL(kind=dp), DIMENSION(2), INTENT(OUT), OPTIONAL :: r_rads_3
117
118 REAL(kind=dp) :: alpha, alpha_r, beta, g_res, gamma, r_res
119
120 ! exponents in G space
121 alpha = 0.25_dp/zeta
122 beta = 0.25_dp/zetb
123 gamma = 0.25_dp/zetc + a_mm
124
125 ! Summation radii and number of summands for all lattice summation methods
126 ! sum method 1
127 IF (PRESENT(g_rads_1)) THEN
128 g_res = 0.5_dp*g_min
129 g_rads_1(1) = exp_radius(la_max, alpha, sum_precision, 1.0_dp, g_res)
130 g_rads_1(2) = exp_radius(lb_max, beta, sum_precision, 1.0_dp, g_res)
131 g_rads_1(3) = exp_radius(lc_max, gamma, sum_precision, 1.0_dp, g_res)
132 END IF
133
134 ! sum method 2
135 IF (PRESENT(r_rads_2)) THEN
136 r_res = 0.5_dp*r_min
137 r_rads_2(1) = exp_radius(lb_max + lc_max, 0.25_dp/(beta + gamma), sum_precision, 1.0_dp, epsabs=r_res)
138 r_rads_2(2) = exp_radius(lc_max + la_max, 0.25_dp/(alpha + gamma), sum_precision, 1.0_dp, epsabs=r_res)
139 r_rads_2(3) = exp_radius(lb_max + la_max, 0.25_dp/(alpha + beta), sum_precision, 1.0_dp, epsabs=r_res)
140 END IF
141
142 ! sum method 3
143
144 IF (PRESENT(r_rads_3)) THEN
145 r_res = 0.5_dp*r_min
146 alpha_r = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
147 r_rads_3(1) = exp_radius(la_max + lb_max, zeta*zetb/(zeta + zetb), sum_precision, 1.0_dp, r_res)
148 r_rads_3(2) = exp_radius(la_max + lb_max + lc_max, alpha_r, sum_precision, 1.0_dp, r_res)
149 END IF
150
151 END SUBROUTINE
152
153! **************************************************************************************************
154!> \brief Get summation bounds for 2c integrals
155!> \param hmat ...
156!> \param h_inv ...
157!> \param vol ...
158!> \param is_ortho ...
159!> \param G_min ...
160!> \param R_min ...
161!> \param la_max ...
162!> \param lb_max ...
163!> \param zeta ...
164!> \param zetb ...
165!> \param a_mm ...
166!> \param sum_precision ...
167!> \param n_sum_1d ...
168!> \param n_sum_3d ...
169!> \param G_bounds ...
170!> \param G_rad ...
171!> \param R_bounds ...
172!> \param R_rad ...
173! **************************************************************************************************
174 SUBROUTINE eri_mme_2c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, &
175 zeta, zetb, a_mm, sum_precision, n_sum_1d, n_sum_3d, &
176 G_bounds, G_rad, R_bounds, R_rad)
177 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
178 REAL(kind=dp), INTENT(IN) :: vol
179 LOGICAL, INTENT(IN) :: is_ortho
180 REAL(kind=dp), INTENT(IN) :: g_min, r_min
181 INTEGER, INTENT(IN) :: la_max, lb_max
182 REAL(kind=dp), INTENT(IN) :: zeta, zetb, a_mm, sum_precision
183 INTEGER(KIND=int_8), DIMENSION(2, 3), INTENT(OUT) :: n_sum_1d
184 INTEGER(KIND=int_8), DIMENSION(2), INTENT(OUT) :: n_sum_3d
185 REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: g_bounds
186 REAL(kind=dp), INTENT(OUT) :: g_rad
187 REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: r_bounds
188 REAL(kind=dp), INTENT(OUT) :: r_rad
189
190 INTEGER :: i_xyz
191 REAL(kind=dp) :: ns_g, ns_r, vol_g
192
193 CALL eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, g_min, r_min, sum_precision, g_rad, r_rad)
194
195 g_bounds = ellipsoid_bounds(g_rad, transpose(hmat)/(2.0_dp*pi))
196 r_bounds = ellipsoid_bounds(r_rad, h_inv)
197
198 vol_g = twopi**3/vol
199
200 IF (is_ortho) THEN
201 DO i_xyz = 1, 3
202 ns_g = 2.0_dp*g_bounds(i_xyz)
203 ns_r = 2.0_dp*r_bounds(i_xyz)
204 n_sum_1d(1, i_xyz) = nsum_2c_gspace_1d(ns_g, la_max, lb_max)
205 n_sum_1d(2, i_xyz) = nsum_2c_rspace_1d(ns_r, la_max, lb_max)
206 END DO
207 ELSE
208 ns_g = 4._dp/3._dp*pi*g_rad**3/vol_g
209 ns_r = 4._dp/3._dp*pi*r_rad**3/vol
210 n_sum_3d(1) = nsum_2c_gspace_3d(ns_g, la_max, lb_max)
211 n_sum_3d(2) = nsum_2c_rspace_3d(ns_r, la_max, lb_max)
212 END IF
213
214 END SUBROUTINE
215
216! **************************************************************************************************
217!> \brief Get summation bounds for 3c integrals
218!> \param hmat ...
219!> \param h_inv ...
220!> \param vol ...
221!> \param is_ortho ...
222!> \param G_min ...
223!> \param R_min ...
224!> \param la_max ...
225!> \param lb_max ...
226!> \param lc_max ...
227!> \param zeta ...
228!> \param zetb ...
229!> \param zetc ...
230!> \param a_mm ...
231!> \param sum_precision ...
232!> \param n_sum_1d ...
233!> \param n_sum_3d ...
234!> \param G_bounds_1 ...
235!> \param G_rads_1 ...
236!> \param R_bounds_2 ...
237!> \param R_rads_2 ...
238!> \param R_bounds_3 ...
239!> \param R_rads_3 ...
240! **************************************************************************************************
241 SUBROUTINE eri_mme_3c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, lc_max, &
242 zeta, zetb, zetc, a_mm, sum_precision, n_sum_1d, n_sum_3d, &
243 G_bounds_1, G_rads_1, R_bounds_2, R_rads_2, R_bounds_3, R_rads_3)
244 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
245 REAL(kind=dp), INTENT(IN) :: vol
246 LOGICAL, INTENT(IN) :: is_ortho
247 REAL(kind=dp), INTENT(IN) :: g_min, r_min
248 INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
249 REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm, sum_precision
250 INTEGER(KIND=int_8), DIMENSION(3, 3), INTENT(OUT) :: n_sum_1d
251 INTEGER(KIND=int_8), DIMENSION(3), INTENT(OUT) :: n_sum_3d
252 REAL(kind=dp), DIMENSION(3, 3) :: g_bounds_1
253 REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: g_rads_1
254 REAL(kind=dp), DIMENSION(3, 3) :: r_bounds_2
255 REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: r_rads_2
256 REAL(kind=dp), DIMENSION(2, 3) :: r_bounds_3
257 REAL(kind=dp), DIMENSION(2), INTENT(OUT) :: r_rads_3
258
259 INTEGER :: i, i_xyz, order_1, order_2
260 REAL(kind=dp) :: ns1_g1, ns1_g2, ns2_g, ns2_r, ns3_r1, &
261 ns3_r2, vol_g
262 CALL eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, g_min, r_min, sum_precision, &
263 g_rads_1=g_rads_1, r_rads_2=r_rads_2, r_rads_3=r_rads_3)
264
265 vol_g = twopi**3/vol
266
267 order_1 = maxloc(g_rads_1, dim=1)
268 order_2 = minloc(g_rads_1, dim=1)
269
270 DO i = 1, 3
271 g_bounds_1(i, :) = ellipsoid_bounds(g_rads_1(i), transpose(hmat)/(2.0_dp*pi))
272 END DO
273
274 DO i = 1, 3
275 r_bounds_2(i, :) = ellipsoid_bounds(r_rads_2(i), h_inv)
276 END DO
277
278 DO i = 1, 2
279 r_bounds_3(i, :) = ellipsoid_bounds(r_rads_3(i), h_inv)
280 END DO
281
282 IF (is_ortho) THEN
283 DO i_xyz = 1, 3
284
285 ns3_r1 = 2.0_dp*r_bounds_3(1, i_xyz)
286 ns3_r2 = 2.0_dp*r_bounds_3(2, i_xyz)
287
288 n_sum_1d(3, i_xyz) = nsum_3c_rspace_1d(ns3_r1, ns3_r2)
289 END DO
290
291 ELSE
292
293 order_1 = maxloc(g_rads_1, dim=1)
294 order_2 = minloc(g_rads_1, dim=1)
295
296 SELECT CASE (order_1)
297 CASE (1)
298 ns1_g1 = 4._dp/3._dp*pi*g_rads_1(2)**3/vol_g
299 ns1_g2 = 4._dp/3._dp*pi*g_rads_1(3)**3/vol_g
300 CASE (2)
301 ns1_g1 = 4._dp/3._dp*pi*g_rads_1(1)**3/vol_g
302 ns1_g2 = 4._dp/3._dp*pi*g_rads_1(3)**3/vol_g
303 CASE (3)
304 ns1_g1 = 4._dp/3._dp*pi*g_rads_1(1)**3/vol_g
305 ns1_g2 = 4._dp/3._dp*pi*g_rads_1(2)**3/vol_g
306 END SELECT
307
308 n_sum_3d(1) = nsum_3c_gspace_3d(ns1_g1, ns1_g2, la_max, lb_max, lc_max)
309
310 ns2_g = 4._dp/3._dp*pi*g_rads_1(order_2)**3/vol_g
311 ns2_r = 4._dp/3._dp*pi*r_rads_2(order_2)**3/vol
312
313 ns3_r1 = 4._dp/3._dp*pi*r_rads_3(1)**3/vol
314 ns3_r2 = 4._dp/3._dp*pi*r_rads_3(2)**3/vol
315
316 SELECT CASE (order_2)
317 CASE (1)
318 n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, la_max, lb_max, lc_max)
319 CASE (2)
320 n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, lb_max, la_max, lc_max)
321 CASE (3)
322 n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, lc_max, lb_max, la_max)
323 END SELECT
324
325 n_sum_3d(3) = nsum_3c_rspace_3d(ns3_r1, ns3_r2, la_max, lb_max, lc_max)
326 END IF
327
328 END SUBROUTINE
329
330! **************************************************************************************************
331!> \brief Roughly estimated number of floating point operations
332!> \param ns_G ...
333!> \param l ...
334!> \param m ...
335!> \return ...
336! **************************************************************************************************
337 PURE FUNCTION nsum_2c_gspace_1d(ns_G, l, m)
338 REAL(kind=dp), INTENT(IN) :: ns_g
339 INTEGER, INTENT(IN) :: l, m
340 INTEGER(KIND=int_8) :: nsum_2c_gspace_1d
341
342 nsum_2c_gspace_1d = nint(ns_g*(2*exp_w + (l + m + 1)*5), kind=int_8)
343 END FUNCTION
344
345! **************************************************************************************************
346!> \brief Compute Ewald-like sum for 2-center ERIs in G space in 1 dimension
347!> S_G(l, alpha) = (-i)^l*inv_lgth*sum_G( C(l, alpha, G) exp(iGR) ), with
348!> C(l, alpha, r) = r^l exp(-alpha*r^2),
349!> dG = inv_lgth*twopi and G = -G_bound*dG, (-G_bound + 1)*dG, ..., G_bound*dG
350!> for all l < = l_max.
351!> \param S_G ...
352!> \param R ...
353!> \param alpha ...
354!> \param inv_lgth ...
355!> \param G_c ...
356!> \note S_G is real.
357! **************************************************************************************************
358 PURE SUBROUTINE pgf_sum_2c_gspace_1d(S_G, R, alpha, inv_lgth, G_c)
359 REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_g
360 REAL(kind=dp), INTENT(IN) :: r, alpha, inv_lgth, g_c
361
362 COMPLEX(KIND=dp) :: exp_tot
363 COMPLEX(KIND=dp), ALLOCATABLE, DIMENSION(:) :: s_g_c
364 INTEGER :: gg, l, l_max
365 REAL(kind=dp) :: dg, g, g_pow_l
366
367 dg = inv_lgth*twopi
368 l_max = ubound(s_g, 1)
369
370 ALLOCATE (s_g_c(0:l_max))
371 s_g_c(:) = 0.0_dp
372 DO gg = -floor(g_c), floor(g_c)
373 g = gg*dg
374 exp_tot = exp(-alpha*g**2)*exp(gaussi*g*r) ! cost: 2 exp_w flops
375 g_pow_l = 1.0_dp
376 DO l = 0, l_max
377 s_g_c(l) = s_g_c(l) + g_pow_l*(-1.0_dp)**l*exp_tot ! cost: 4 flops
378 g_pow_l = g_pow_l*g ! cost: 1 flop
379 END DO
380 END DO
381
382 s_g(:) = real(s_g_c(0:l_max)*i_pow((/(l, l=0, l_max)/)))*inv_lgth
383 END SUBROUTINE pgf_sum_2c_gspace_1d
384
385! **************************************************************************************************
386!> \brief Roughly estimated number of floating point operations
387!> \param ns_G ...
388!> \param l ...
389!> \param m ...
390!> \return ...
391! **************************************************************************************************
392 PURE FUNCTION nsum_2c_gspace_3d(ns_G, l, m)
393 REAL(kind=dp), INTENT(IN) :: ns_g
394 INTEGER, INTENT(IN) :: l, m
395 INTEGER(KIND=int_8) :: nsum_2c_gspace_3d
396
397 nsum_2c_gspace_3d = nint(ns_g*(2*exp_w + ncoset(l + m)*7), kind=int_8)
398 END FUNCTION
399
400! **************************************************************************************************
401!> \brief As pgf_sum_2c_gspace_1d but 3d sum required for non-orthorhombic cells
402!> \param S_G ...
403!> \param l_max ...
404!> \param R ...
405!> \param alpha ...
406!> \param h_inv ...
407!> \param G_c ...
408!> \param G_rad ...
409!> \param vol ...
410!> \param coulomb ...
411!> \note MMME Method is not very efficient for non-orthorhombic cells
412! **************************************************************************************************
413 PURE SUBROUTINE pgf_sum_2c_gspace_3d(S_G, l_max, R, alpha, h_inv, G_c, G_rad, vol, potential, pot_par)
414 REAL(kind=dp), DIMENSION(:), INTENT(OUT) :: s_g
415 INTEGER, INTENT(IN) :: l_max
416 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r
417 REAL(kind=dp), INTENT(IN) :: alpha
418 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: h_inv
419 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_c
420 REAL(kind=dp), INTENT(IN) :: g_rad, vol
421 INTEGER, INTENT(IN), OPTIONAL :: potential
422 REAL(kind=dp), INTENT(IN), OPTIONAL :: pot_par
423
424 COMPLEX(KIND=dp) :: exp_tot
425 INTEGER, DIMENSION(3) :: l_xyz
426 INTEGER :: gx, gy, gz, k, l, lco, lx, ly, lz
427 COMPLEX(KIND=dp), DIMENSION(ncoset(l_max)) :: ig
428 REAL(kind=dp) :: g_rads_sq, g_sq
429 REAL(kind=dp), DIMENSION(3) :: g, g_x, g_y, g_z
430 REAL(kind=dp), DIMENSION(3, 0:l_max) :: g_pow_l
431 REAL(kind=dp), DIMENSION(3, 3) :: ht
432
433 ht = twopi*transpose(h_inv)
434 ig(:) = 0.0_dp
435
436 g_rads_sq = g_rad**2
437
438 DO gx = -floor(g_c(1)), floor(g_c(1))
439 g_x = ht(:, 1)*gx
440 DO gy = -floor(g_c(2)), floor(g_c(2))
441 g_y = ht(:, 2)*gy
442 DO gz = -floor(g_c(3)), floor(g_c(3))
443 g_z = ht(:, 3)*gz
444
445 g = g_x + g_y + g_z
446 g_sq = g(1)**2 + g(2)**2 + g(3)**2
447 IF (g_sq .GT. g_rads_sq) cycle
448
449 IF (PRESENT(potential)) THEN
450 IF (gx .EQ. 0 .AND. gy .EQ. 0 .AND. gz .EQ. 0) cycle
451 END IF
452
453 exp_tot = exp(-alpha*g_sq)*exp(gaussi*dot_product(g, r)) ! cost: 2 exp_w flops
454 IF (PRESENT(potential)) THEN
455 SELECT CASE (potential)
456 CASE (eri_mme_coulomb)
457 exp_tot = exp_tot/g_sq
458 CASE (eri_mme_yukawa)
459 exp_tot = exp_tot/(g_sq + pot_par**2)
460 !exp_tot = exp_tot/G_sq
461 CASE (eri_mme_longrange)
462 exp_tot = exp_tot/g_sq*exp(-g_sq/pot_par**2)
463 END SELECT
464 END IF
465 DO k = 1, 3
466 g_pow_l(k, 0) = 1.0_dp
467 DO l = 1, l_max
468 g_pow_l(k, l) = g_pow_l(k, l - 1)*g(k)
469 END DO
470 END DO
471 DO lco = 1, ncoset(l_max)
472 CALL get_l(lco, l, lx, ly, lz)
473 l_xyz = [lx, ly, lz]
474 ig(coset(lx, ly, lz)) = ig(coset(lx, ly, lz)) + & ! cost: 7 flops
475 g_pow_l(1, lx)*g_pow_l(2, ly)*g_pow_l(3, lz)* &
476 exp_tot*(-1.0_dp)**l*i_pow(l)
477 END DO
478 END DO
479 END DO
480 END DO
481 s_g(:) = real(ig(:), kind=dp)/vol
482 END SUBROUTINE pgf_sum_2c_gspace_3d
483
484! **************************************************************************************************
485!> \brief Roughly estimated number of floating point operations
486!> \param ns_R ...
487!> \param l ...
488!> \param m ...
489!> \return ...
490! **************************************************************************************************
491 PURE FUNCTION nsum_2c_rspace_1d(ns_R, l, m)
492 REAL(kind=dp), INTENT(IN) :: ns_r
493 INTEGER, INTENT(IN) :: l, m
494 INTEGER(KIND=int_8) :: nsum_2c_rspace_1d
495
496 nsum_2c_rspace_1d = nint(ns_r*(exp_w + (l + m + 1)*3), kind=int_8)
497 END FUNCTION
498
499! **************************************************************************************************
500!> \brief Compute Ewald-like sum for 2-center ERIs in R space in 1 dimension
501!> S_R(l, alpha) = SQRT(alpha/pi) sum_R'( H(l, alpha, R-R') ),
502!> with H(l, alpha, R) = (-d/dR)^l exp(-alpha*R^2),
503!> dR = lgth and R' = -R_min*dR, (-R_min + 1)*dR, ..., R_max*dR,
504!> for all l < = l_max.
505!> \param S_R ...
506!> \param R ...
507!> \param alpha ...
508!> \param lgth ...
509!> \param R_c ...
510!> \note result is equivalent to pgf_sum_2c_gspace_1d with
511!> S_R(l, alpha) = S_G(l, 1/(4*alpha))
512! **************************************************************************************************
513 PURE SUBROUTINE pgf_sum_2c_rspace_1d(S_R, R, alpha, lgth, R_c)
514 REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_r
515 REAL(kind=dp), INTENT(IN) :: r, alpha, lgth, r_c
516
517 INTEGER :: l, l_max, rr
518 REAL(kind=dp) :: dr, exp_tot, r_pow_l, rp
519 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
520
521 dr = lgth
522 l_max = ubound(s_r, 1)
523
524 ! 1) compute sum over C(l, alpha, R - R') instead of H(l, alpha, R - R')
525 s_r(:) = 0.0_dp
526 rp = r - r_c*dr
527 DO rr = ceiling(-r_c - r/dr), floor(r_c - r/dr)
528 rp = r + rr*dr
529 exp_tot = exp(-alpha*rp**2) ! cost: exp_w flops
530 r_pow_l = 1.0_dp
531 DO l = 0, l_max
532 s_r(l) = s_r(l) + r_pow_l*exp_tot ! cost: 2 flops
533 r_pow_l = r_pow_l*rp ! cost: 1 flop
534 END DO
535 END DO
536
537 ! 2) C --> H
538 CALL create_hermite_to_cartesian(alpha, l_max, h_to_c)
539 s_r = matmul(transpose(h_to_c(0:l_max, 0:l_max)), s_r)*sqrt(alpha/pi)
540 END SUBROUTINE pgf_sum_2c_rspace_1d
541
542! **************************************************************************************************
543!> \brief Roughly estimated number of floating point operations
544!> \param ns_R ...
545!> \param l ...
546!> \param m ...
547!> \return ...
548! **************************************************************************************************
549 PURE FUNCTION nsum_2c_rspace_3d(ns_R, l, m)
550 REAL(kind=dp), INTENT(IN) :: ns_r
551 INTEGER, INTENT(IN) :: l, m
552 INTEGER(KIND=int_8) :: nsum_2c_rspace_3d
553
554 nsum_2c_rspace_3d = nint(ns_r*(exp_w + ncoset(l + m)*(4 + ncoset(l + m)*4)), kind=int_8)
555 END FUNCTION
556
557! **************************************************************************************************
558!> \brief As pgf_sum_2c_rspace_1d but 3d sum required for non-orthorhombic cells
559!> \param S_R ...
560!> \param l_max ...
561!> \param R ...
562!> \param alpha ...
563!> \param hmat ...
564!> \param h_inv ...
565!> \param R_c ...
566!> \param R_rad ...
567!> \note MMME Method is not very efficient for non-orthorhombic cells
568! **************************************************************************************************
569 PURE SUBROUTINE pgf_sum_2c_rspace_3d(S_R, l_max, R, alpha, hmat, h_inv, R_c, R_rad)
570 REAL(kind=dp), DIMENSION(:), INTENT(OUT) :: s_r
571 INTEGER, INTENT(IN) :: l_max
572 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r
573 REAL(kind=dp), INTENT(IN) :: alpha
574 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
575 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c
576 REAL(kind=dp), INTENT(IN) :: r_rad
577
578 INTEGER :: k, l, lco, llx, lly, llz, lx, ly, lz, &
579 sx, sy, sz
580 REAL(kind=dp) :: exp_tot, r_rad_sq, r_sq
581 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
582 REAL(kind=dp), DIMENSION(3) :: r_l, r_r, rp, rx, ry, rz, s_shift
583 REAL(kind=dp), DIMENSION(3, 0:l_max) :: r_pow_l
584 REAL(kind=dp), DIMENSION(ncoset(l_max)) :: s_r_c
585
586 s_r(:) = 0.0_dp
587 s_r_c(:) = 0.0_dp
588
589 s_shift = matmul(h_inv, -r)
590 r_l = -r_c + s_shift
591 r_r = r_c + s_shift
592
593 r_rad_sq = r_rad**2
594
595 DO sx = ceiling(r_l(1)), floor(r_r(1))
596 rx = hmat(:, 1)*sx
597 DO sy = ceiling(r_l(2)), floor(r_r(2))
598 ry = hmat(:, 2)*sy
599 DO sz = ceiling(r_l(3)), floor(r_r(3))
600 rz = hmat(:, 3)*sz
601 rp = rx + ry + rz
602 r_sq = (rp(1) + r(1))**2 + (rp(2) + r(2))**2 + (rp(3) + r(3))**2
603 IF (r_sq .GT. r_rad_sq) cycle
604 exp_tot = exp(-alpha*r_sq) ! cost: exp_w flops
605 DO k = 1, 3
606 r_pow_l(k, 0) = 1.0_dp
607 DO l = 1, l_max
608 r_pow_l(k, l) = r_pow_l(k, l - 1)*(rp(k) + r(k))
609 END DO
610 END DO
611 DO lco = 1, ncoset(l_max)
612 CALL get_l(lco, l, lx, ly, lz)
613 s_r_c(coset(lx, ly, lz)) = s_r_c(coset(lx, ly, lz)) + r_pow_l(1, lx)*r_pow_l(2, ly)*r_pow_l(3, lz)*exp_tot ! cost: 4 flops
614 END DO
615 END DO
616 END DO
617 END DO
618
619 CALL create_hermite_to_cartesian(alpha, l_max, h_to_c)
620
621 DO lco = 1, ncoset(l_max)
622 CALL get_l(lco, l, lx, ly, lz)
623
624 DO llx = 0, lx
625 DO lly = 0, ly
626 DO llz = 0, lz
627 s_r(coset(lx, ly, lz)) = s_r(coset(lx, ly, lz)) + & ! cost: 4 flops
628 h_to_c(llx, lx)*h_to_c(lly, ly)*h_to_c(llz, lz)* &
629 s_r_c(coset(llx, lly, llz))
630 END DO
631 END DO
632 END DO
633 END DO
634 s_r(:) = s_r(:)*(alpha/pi)**1.5_dp
635
636 END SUBROUTINE pgf_sum_2c_rspace_3d
637
638! **************************************************************************************************
639!> \brief Compute 1d sum
640!> S_G(l, alpha) = inv_lgth*sum_G( C(l, alpha, delta_l, G) ) with
641!> C(l, alpha, delta_l, G) = prefactor*|G|^(l-delta_l) exp(-alpha*G^2)
642!> if G not equal 0
643!> C(l = 0, alpha, delta_l, 0) = 1, C(l>0, alpha, delta_l, 0) = 0
644!> dG = inv_lgth*twopi and G = -G_bound*dG, (-G_bound + 1)*dG, ..., G_bound*dG
645!> for all l < = l_max.
646!> \param S_G ...
647!> \param alpha ...
648!> \param inv_lgth ...
649!> \param G_min ...
650!> \param G_c ...
651!> \param delta_l ...
652!> \param prefactor ...
653!> \note needed for cutoff error estimate
654! **************************************************************************************************
655 PURE SUBROUTINE pgf_sum_2c_gspace_1d_deltal(S_G, alpha, inv_lgth, G_min, G_c, delta_l, prefactor)
656 REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_g
657 REAL(kind=dp), INTENT(IN) :: alpha, inv_lgth
658 INTEGER, INTENT(IN) :: g_min, g_c
659 REAL(kind=dp), INTENT(IN) :: delta_l, prefactor
660
661 INTEGER :: k, k0, k1, l, l_max
662 REAL(kind=dp) :: dg, exp_tot, g, prefac
663
664 prefac = prefactor*inv_lgth
665 dg = inv_lgth*twopi ! positive
666 l_max = ubound(s_g, 1)
667
668 s_g(:) = 0.0_dp
669 IF (0 .LT. g_min) THEN
670 k0 = g_min; k1 = 0
671 ELSE IF (g_c .LT. 0) THEN
672 k0 = 0; k1 = g_c
673 ELSE ! Gmin <= 0 /\ 0 <= Gc
674 s_g(0) = prefac
675 k0 = 1; k1 = -1
676 END IF
677 ! positive range
678 IF (0 .LT. k0) THEN
679 DO k = k0, g_c
680 g = k*dg; exp_tot = exp(-alpha*g**2)*prefac
681 DO l = 0, l_max
682 s_g(l) = s_g(l) + g**(l - delta_l)*exp_tot
683 END DO
684 END DO
685 END IF
686 ! negative range
687 IF (k1 .LT. 0) THEN
688 DO k = g_min, k1
689 g = k*dg; exp_tot = exp(-alpha*g**2)*prefac
690 DO l = 0, l_max
691 s_g(l) = s_g(l) + abs(g)**(l - delta_l)*exp_tot
692 END DO
693 END DO
694 END IF
695 END SUBROUTINE pgf_sum_2c_gspace_1d_deltal
696
697! **************************************************************************************************
698!> \brief Compute Ewald-like sum for 3-center integrals in 1 dimension
699!> S_G(l, m, n, alpha, beta, gamma) = i^(l+m+n)*(-1)^(l+m)*inv_lgth^2*
700!> sum_G sum_G'( exp(i G R1)
701!> C(l,alpha,G) C(m,beta,G'-G) C(n,gamma,G') exp(i G' R2) )
702!> for all l < = l_max, m <= m_max, n <= n_max.
703!> a_mm is the minimax exponent.
704!> alpha = 1/(4 zeta), beta = 1/(4 zetb), gamma = 1/(4 zetc) + a_mm
705!> R1 = RB-RA; R2 = RC-RB
706!> Note on method / order arguments:
707!> Three equivalent methods (Poisson summation) to compute this sum over
708!> Cartesian Gaussians C or Hermite Gaussians H and
709!> reciprocal lattice vectors G or direct lattice vectors R:
710!> - method 1: sum_G sum_G' C(G) C(G,G') C(G')
711!> - method 2: sum_G sum_R C(G) C(R)
712!> - method 3: sum_R sum_R' H(R, R')
713!> The order parameter selects the Gaussian functions over which the sum is performed
714!> method 1: order = 1, 2, 3
715!> method 2: order = 1, 2, 3
716!> method 3: order = 1
717!> If method and order are not present, the method / order that converges fastest is
718!> automatically chosen.
719!> \param S_G ...
720!> \param RA ...
721!> \param RB ...
722!> \param RC ...
723!> \param zeta ...
724!> \param zetb ...
725!> \param zetc ...
726!> \param a_mm ...
727!> \param lgth ...
728!> \param G_bounds_1 ...
729!> \param R_bounds_2 ...
730!> \param R_bounds_3 ...
731!> \param method ...
732!> \param method_out ...
733!> \param order ...
734! **************************************************************************************************
735 SUBROUTINE pgf_sum_3c_1d(S_G, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_bounds_3)
736 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_g
737 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
738 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_bounds_3
739
740 INTEGER :: l_max, m_max, n_max
741 INTEGER :: nr1, nr2
742 INTEGER :: prop_exp
743
744 l_max = ubound(s_g, 1)
745 m_max = ubound(s_g, 2)
746 n_max = ubound(s_g, 3)
747
748 nr1 = 2*floor(r_bounds_3(1)) + 1
749 nr2 = 2*floor(r_bounds_3(2)) + 1
750
751 IF (nr1*nr2 > 1 + nr1*2) THEN
752 prop_exp = 1
753 ELSE
754 prop_exp = 0
755 END IF
756
757 IF (maxval([l_max, m_max, n_max]) .GT. 4) THEN
758 CALL pgf_sum_3c_rspace_1d_generic(s_g, ra, rb, rc, zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
759 ELSE
760 IF (l_max == 0) THEN
761 IF (m_max == 0) THEN
762 IF (n_max == 0) THEN
763 IF (prop_exp == 0) THEN
764 CALL pgf_sum_3c_rspace_1d_0_0_0_exp_0 (s_g, ra, rb, rc, &
765 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
766 RETURN
767 END IF
768 IF (prop_exp == 1) THEN
769 CALL pgf_sum_3c_rspace_1d_0_0_0_exp_1 (s_g, ra, rb, rc, &
770 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
771 RETURN
772 END IF
773 END IF
774 IF (n_max == 1) THEN
775 IF (prop_exp == 0) THEN
776 CALL pgf_sum_3c_rspace_1d_0_0_1_exp_0 (s_g, ra, rb, rc, &
777 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
778 RETURN
779 END IF
780 IF (prop_exp == 1) THEN
781 CALL pgf_sum_3c_rspace_1d_0_0_1_exp_1 (s_g, ra, rb, rc, &
782 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
783 RETURN
784 END IF
785 END IF
786 IF (n_max == 2) THEN
787 IF (prop_exp == 0) THEN
788 CALL pgf_sum_3c_rspace_1d_0_0_2_exp_0 (s_g, ra, rb, rc, &
789 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
790 RETURN
791 END IF
792 IF (prop_exp == 1) THEN
793 CALL pgf_sum_3c_rspace_1d_0_0_2_exp_1 (s_g, ra, rb, rc, &
794 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
795 RETURN
796 END IF
797 END IF
798 IF (n_max == 3) THEN
799 IF (prop_exp == 0) THEN
800 CALL pgf_sum_3c_rspace_1d_0_0_3_exp_0 (s_g, ra, rb, rc, &
801 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
802 RETURN
803 END IF
804 IF (prop_exp == 1) THEN
805 CALL pgf_sum_3c_rspace_1d_0_0_3_exp_1 (s_g, ra, rb, rc, &
806 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
807 RETURN
808 END IF
809 END IF
810 IF (n_max == 4) THEN
811 IF (prop_exp == 0) THEN
812 CALL pgf_sum_3c_rspace_1d_0_0_4_exp_0 (s_g, ra, rb, rc, &
813 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
814 RETURN
815 END IF
816 IF (prop_exp == 1) THEN
817 CALL pgf_sum_3c_rspace_1d_0_0_4_exp_1 (s_g, ra, rb, rc, &
818 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
819 RETURN
820 END IF
821 END IF
822 END IF
823 IF (m_max == 1) THEN
824 IF (n_max == 0) THEN
825 IF (prop_exp == 0) THEN
826 CALL pgf_sum_3c_rspace_1d_0_1_0_exp_0 (s_g, ra, rb, rc, &
827 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
828 RETURN
829 END IF
830 IF (prop_exp == 1) THEN
831 CALL pgf_sum_3c_rspace_1d_0_1_0_exp_1 (s_g, ra, rb, rc, &
832 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
833 RETURN
834 END IF
835 END IF
836 IF (n_max == 1) THEN
837 IF (prop_exp == 0) THEN
838 CALL pgf_sum_3c_rspace_1d_0_1_1_exp_0 (s_g, ra, rb, rc, &
839 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
840 RETURN
841 END IF
842 IF (prop_exp == 1) THEN
843 CALL pgf_sum_3c_rspace_1d_0_1_1_exp_1 (s_g, ra, rb, rc, &
844 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
845 RETURN
846 END IF
847 END IF
848 IF (n_max == 2) THEN
849 IF (prop_exp == 0) THEN
850 CALL pgf_sum_3c_rspace_1d_0_1_2_exp_0 (s_g, ra, rb, rc, &
851 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
852 RETURN
853 END IF
854 IF (prop_exp == 1) THEN
855 CALL pgf_sum_3c_rspace_1d_0_1_2_exp_1 (s_g, ra, rb, rc, &
856 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
857 RETURN
858 END IF
859 END IF
860 IF (n_max == 3) THEN
861 IF (prop_exp == 0) THEN
862 CALL pgf_sum_3c_rspace_1d_0_1_3_exp_0 (s_g, ra, rb, rc, &
863 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
864 RETURN
865 END IF
866 IF (prop_exp == 1) THEN
867 CALL pgf_sum_3c_rspace_1d_0_1_3_exp_1 (s_g, ra, rb, rc, &
868 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
869 RETURN
870 END IF
871 END IF
872 IF (n_max == 4) THEN
873 IF (prop_exp == 0) THEN
874 CALL pgf_sum_3c_rspace_1d_0_1_4_exp_0 (s_g, ra, rb, rc, &
875 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
876 RETURN
877 END IF
878 IF (prop_exp == 1) THEN
879 CALL pgf_sum_3c_rspace_1d_0_1_4_exp_1 (s_g, ra, rb, rc, &
880 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
881 RETURN
882 END IF
883 END IF
884 END IF
885 IF (m_max == 2) THEN
886 IF (n_max == 0) THEN
887 IF (prop_exp == 0) THEN
888 CALL pgf_sum_3c_rspace_1d_0_2_0_exp_0 (s_g, ra, rb, rc, &
889 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
890 RETURN
891 END IF
892 IF (prop_exp == 1) THEN
893 CALL pgf_sum_3c_rspace_1d_0_2_0_exp_1 (s_g, ra, rb, rc, &
894 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
895 RETURN
896 END IF
897 END IF
898 IF (n_max == 1) THEN
899 IF (prop_exp == 0) THEN
900 CALL pgf_sum_3c_rspace_1d_0_2_1_exp_0 (s_g, ra, rb, rc, &
901 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
902 RETURN
903 END IF
904 IF (prop_exp == 1) THEN
905 CALL pgf_sum_3c_rspace_1d_0_2_1_exp_1 (s_g, ra, rb, rc, &
906 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
907 RETURN
908 END IF
909 END IF
910 IF (n_max == 2) THEN
911 IF (prop_exp == 0) THEN
912 CALL pgf_sum_3c_rspace_1d_0_2_2_exp_0 (s_g, ra, rb, rc, &
913 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
914 RETURN
915 END IF
916 IF (prop_exp == 1) THEN
917 CALL pgf_sum_3c_rspace_1d_0_2_2_exp_1 (s_g, ra, rb, rc, &
918 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
919 RETURN
920 END IF
921 END IF
922 IF (n_max == 3) THEN
923 IF (prop_exp == 0) THEN
924 CALL pgf_sum_3c_rspace_1d_0_2_3_exp_0 (s_g, ra, rb, rc, &
925 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
926 RETURN
927 END IF
928 IF (prop_exp == 1) THEN
929 CALL pgf_sum_3c_rspace_1d_0_2_3_exp_1 (s_g, ra, rb, rc, &
930 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
931 RETURN
932 END IF
933 END IF
934 IF (n_max == 4) THEN
935 IF (prop_exp == 0) THEN
936 CALL pgf_sum_3c_rspace_1d_0_2_4_exp_0 (s_g, ra, rb, rc, &
937 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
938 RETURN
939 END IF
940 IF (prop_exp == 1) THEN
941 CALL pgf_sum_3c_rspace_1d_0_2_4_exp_1 (s_g, ra, rb, rc, &
942 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
943 RETURN
944 END IF
945 END IF
946 END IF
947 IF (m_max == 3) THEN
948 IF (n_max == 0) THEN
949 IF (prop_exp == 0) THEN
950 CALL pgf_sum_3c_rspace_1d_0_3_0_exp_0 (s_g, ra, rb, rc, &
951 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
952 RETURN
953 END IF
954 IF (prop_exp == 1) THEN
955 CALL pgf_sum_3c_rspace_1d_0_3_0_exp_1 (s_g, ra, rb, rc, &
956 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
957 RETURN
958 END IF
959 END IF
960 IF (n_max == 1) THEN
961 IF (prop_exp == 0) THEN
962 CALL pgf_sum_3c_rspace_1d_0_3_1_exp_0 (s_g, ra, rb, rc, &
963 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
964 RETURN
965 END IF
966 IF (prop_exp == 1) THEN
967 CALL pgf_sum_3c_rspace_1d_0_3_1_exp_1 (s_g, ra, rb, rc, &
968 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
969 RETURN
970 END IF
971 END IF
972 IF (n_max == 2) THEN
973 IF (prop_exp == 0) THEN
974 CALL pgf_sum_3c_rspace_1d_0_3_2_exp_0 (s_g, ra, rb, rc, &
975 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
976 RETURN
977 END IF
978 IF (prop_exp == 1) THEN
979 CALL pgf_sum_3c_rspace_1d_0_3_2_exp_1 (s_g, ra, rb, rc, &
980 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
981 RETURN
982 END IF
983 END IF
984 IF (n_max == 3) THEN
985 IF (prop_exp == 0) THEN
986 CALL pgf_sum_3c_rspace_1d_0_3_3_exp_0 (s_g, ra, rb, rc, &
987 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
988 RETURN
989 END IF
990 IF (prop_exp == 1) THEN
991 CALL pgf_sum_3c_rspace_1d_0_3_3_exp_1 (s_g, ra, rb, rc, &
992 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
993 RETURN
994 END IF
995 END IF
996 IF (n_max == 4) THEN
997 IF (prop_exp == 0) THEN
998 CALL pgf_sum_3c_rspace_1d_0_3_4_exp_0 (s_g, ra, rb, rc, &
999 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1000 RETURN
1001 END IF
1002 IF (prop_exp == 1) THEN
1003 CALL pgf_sum_3c_rspace_1d_0_3_4_exp_1 (s_g, ra, rb, rc, &
1004 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1005 RETURN
1006 END IF
1007 END IF
1008 END IF
1009 IF (m_max == 4) THEN
1010 IF (n_max == 0) THEN
1011 IF (prop_exp == 0) THEN
1012 CALL pgf_sum_3c_rspace_1d_0_4_0_exp_0 (s_g, ra, rb, rc, &
1013 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1014 RETURN
1015 END IF
1016 IF (prop_exp == 1) THEN
1017 CALL pgf_sum_3c_rspace_1d_0_4_0_exp_1 (s_g, ra, rb, rc, &
1018 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1019 RETURN
1020 END IF
1021 END IF
1022 IF (n_max == 1) THEN
1023 IF (prop_exp == 0) THEN
1024 CALL pgf_sum_3c_rspace_1d_0_4_1_exp_0 (s_g, ra, rb, rc, &
1025 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1026 RETURN
1027 END IF
1028 IF (prop_exp == 1) THEN
1029 CALL pgf_sum_3c_rspace_1d_0_4_1_exp_1 (s_g, ra, rb, rc, &
1030 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1031 RETURN
1032 END IF
1033 END IF
1034 IF (n_max == 2) THEN
1035 IF (prop_exp == 0) THEN
1036 CALL pgf_sum_3c_rspace_1d_0_4_2_exp_0 (s_g, ra, rb, rc, &
1037 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1038 RETURN
1039 END IF
1040 IF (prop_exp == 1) THEN
1041 CALL pgf_sum_3c_rspace_1d_0_4_2_exp_1 (s_g, ra, rb, rc, &
1042 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1043 RETURN
1044 END IF
1045 END IF
1046 IF (n_max == 3) THEN
1047 IF (prop_exp == 0) THEN
1048 CALL pgf_sum_3c_rspace_1d_0_4_3_exp_0 (s_g, ra, rb, rc, &
1049 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1050 RETURN
1051 END IF
1052 IF (prop_exp == 1) THEN
1053 CALL pgf_sum_3c_rspace_1d_0_4_3_exp_1 (s_g, ra, rb, rc, &
1054 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1055 RETURN
1056 END IF
1057 END IF
1058 IF (n_max == 4) THEN
1059 IF (prop_exp == 0) THEN
1060 CALL pgf_sum_3c_rspace_1d_0_4_4_exp_0 (s_g, ra, rb, rc, &
1061 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1062 RETURN
1063 END IF
1064 IF (prop_exp == 1) THEN
1065 CALL pgf_sum_3c_rspace_1d_0_4_4_exp_1 (s_g, ra, rb, rc, &
1066 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1067 RETURN
1068 END IF
1069 END IF
1070 END IF
1071 END IF
1072 IF (l_max == 1) THEN
1073 IF (m_max == 0) THEN
1074 IF (n_max == 0) THEN
1075 IF (prop_exp == 0) THEN
1076 CALL pgf_sum_3c_rspace_1d_1_0_0_exp_0 (s_g, ra, rb, rc, &
1077 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1078 RETURN
1079 END IF
1080 IF (prop_exp == 1) THEN
1081 CALL pgf_sum_3c_rspace_1d_1_0_0_exp_1 (s_g, ra, rb, rc, &
1082 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1083 RETURN
1084 END IF
1085 END IF
1086 IF (n_max == 1) THEN
1087 IF (prop_exp == 0) THEN
1088 CALL pgf_sum_3c_rspace_1d_1_0_1_exp_0 (s_g, ra, rb, rc, &
1089 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1090 RETURN
1091 END IF
1092 IF (prop_exp == 1) THEN
1093 CALL pgf_sum_3c_rspace_1d_1_0_1_exp_1 (s_g, ra, rb, rc, &
1094 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1095 RETURN
1096 END IF
1097 END IF
1098 IF (n_max == 2) THEN
1099 IF (prop_exp == 0) THEN
1100 CALL pgf_sum_3c_rspace_1d_1_0_2_exp_0 (s_g, ra, rb, rc, &
1101 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1102 RETURN
1103 END IF
1104 IF (prop_exp == 1) THEN
1105 CALL pgf_sum_3c_rspace_1d_1_0_2_exp_1 (s_g, ra, rb, rc, &
1106 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1107 RETURN
1108 END IF
1109 END IF
1110 IF (n_max == 3) THEN
1111 IF (prop_exp == 0) THEN
1112 CALL pgf_sum_3c_rspace_1d_1_0_3_exp_0 (s_g, ra, rb, rc, &
1113 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1114 RETURN
1115 END IF
1116 IF (prop_exp == 1) THEN
1117 CALL pgf_sum_3c_rspace_1d_1_0_3_exp_1 (s_g, ra, rb, rc, &
1118 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1119 RETURN
1120 END IF
1121 END IF
1122 IF (n_max == 4) THEN
1123 IF (prop_exp == 0) THEN
1124 CALL pgf_sum_3c_rspace_1d_1_0_4_exp_0 (s_g, ra, rb, rc, &
1125 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1126 RETURN
1127 END IF
1128 IF (prop_exp == 1) THEN
1129 CALL pgf_sum_3c_rspace_1d_1_0_4_exp_1 (s_g, ra, rb, rc, &
1130 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1131 RETURN
1132 END IF
1133 END IF
1134 END IF
1135 IF (m_max == 1) THEN
1136 IF (n_max == 0) THEN
1137 IF (prop_exp == 0) THEN
1138 CALL pgf_sum_3c_rspace_1d_1_1_0_exp_0 (s_g, ra, rb, rc, &
1139 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1140 RETURN
1141 END IF
1142 IF (prop_exp == 1) THEN
1143 CALL pgf_sum_3c_rspace_1d_1_1_0_exp_1 (s_g, ra, rb, rc, &
1144 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1145 RETURN
1146 END IF
1147 END IF
1148 IF (n_max == 1) THEN
1149 IF (prop_exp == 0) THEN
1150 CALL pgf_sum_3c_rspace_1d_1_1_1_exp_0 (s_g, ra, rb, rc, &
1151 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1152 RETURN
1153 END IF
1154 IF (prop_exp == 1) THEN
1155 CALL pgf_sum_3c_rspace_1d_1_1_1_exp_1 (s_g, ra, rb, rc, &
1156 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1157 RETURN
1158 END IF
1159 END IF
1160 IF (n_max == 2) THEN
1161 IF (prop_exp == 0) THEN
1162 CALL pgf_sum_3c_rspace_1d_1_1_2_exp_0 (s_g, ra, rb, rc, &
1163 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1164 RETURN
1165 END IF
1166 IF (prop_exp == 1) THEN
1167 CALL pgf_sum_3c_rspace_1d_1_1_2_exp_1 (s_g, ra, rb, rc, &
1168 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1169 RETURN
1170 END IF
1171 END IF
1172 IF (n_max == 3) THEN
1173 IF (prop_exp == 0) THEN
1174 CALL pgf_sum_3c_rspace_1d_1_1_3_exp_0 (s_g, ra, rb, rc, &
1175 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1176 RETURN
1177 END IF
1178 IF (prop_exp == 1) THEN
1179 CALL pgf_sum_3c_rspace_1d_1_1_3_exp_1 (s_g, ra, rb, rc, &
1180 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1181 RETURN
1182 END IF
1183 END IF
1184 IF (n_max == 4) THEN
1185 IF (prop_exp == 0) THEN
1186 CALL pgf_sum_3c_rspace_1d_1_1_4_exp_0 (s_g, ra, rb, rc, &
1187 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1188 RETURN
1189 END IF
1190 IF (prop_exp == 1) THEN
1191 CALL pgf_sum_3c_rspace_1d_1_1_4_exp_1 (s_g, ra, rb, rc, &
1192 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1193 RETURN
1194 END IF
1195 END IF
1196 END IF
1197 IF (m_max == 2) THEN
1198 IF (n_max == 0) THEN
1199 IF (prop_exp == 0) THEN
1200 CALL pgf_sum_3c_rspace_1d_1_2_0_exp_0 (s_g, ra, rb, rc, &
1201 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1202 RETURN
1203 END IF
1204 IF (prop_exp == 1) THEN
1205 CALL pgf_sum_3c_rspace_1d_1_2_0_exp_1 (s_g, ra, rb, rc, &
1206 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1207 RETURN
1208 END IF
1209 END IF
1210 IF (n_max == 1) THEN
1211 IF (prop_exp == 0) THEN
1212 CALL pgf_sum_3c_rspace_1d_1_2_1_exp_0 (s_g, ra, rb, rc, &
1213 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1214 RETURN
1215 END IF
1216 IF (prop_exp == 1) THEN
1217 CALL pgf_sum_3c_rspace_1d_1_2_1_exp_1 (s_g, ra, rb, rc, &
1218 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1219 RETURN
1220 END IF
1221 END IF
1222 IF (n_max == 2) THEN
1223 IF (prop_exp == 0) THEN
1224 CALL pgf_sum_3c_rspace_1d_1_2_2_exp_0 (s_g, ra, rb, rc, &
1225 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1226 RETURN
1227 END IF
1228 IF (prop_exp == 1) THEN
1229 CALL pgf_sum_3c_rspace_1d_1_2_2_exp_1 (s_g, ra, rb, rc, &
1230 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1231 RETURN
1232 END IF
1233 END IF
1234 IF (n_max == 3) THEN
1235 IF (prop_exp == 0) THEN
1236 CALL pgf_sum_3c_rspace_1d_1_2_3_exp_0 (s_g, ra, rb, rc, &
1237 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1238 RETURN
1239 END IF
1240 IF (prop_exp == 1) THEN
1241 CALL pgf_sum_3c_rspace_1d_1_2_3_exp_1 (s_g, ra, rb, rc, &
1242 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1243 RETURN
1244 END IF
1245 END IF
1246 IF (n_max == 4) THEN
1247 IF (prop_exp == 0) THEN
1248 CALL pgf_sum_3c_rspace_1d_1_2_4_exp_0 (s_g, ra, rb, rc, &
1249 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1250 RETURN
1251 END IF
1252 IF (prop_exp == 1) THEN
1253 CALL pgf_sum_3c_rspace_1d_1_2_4_exp_1 (s_g, ra, rb, rc, &
1254 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1255 RETURN
1256 END IF
1257 END IF
1258 END IF
1259 IF (m_max == 3) THEN
1260 IF (n_max == 0) THEN
1261 IF (prop_exp == 0) THEN
1262 CALL pgf_sum_3c_rspace_1d_1_3_0_exp_0 (s_g, ra, rb, rc, &
1263 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1264 RETURN
1265 END IF
1266 IF (prop_exp == 1) THEN
1267 CALL pgf_sum_3c_rspace_1d_1_3_0_exp_1 (s_g, ra, rb, rc, &
1268 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1269 RETURN
1270 END IF
1271 END IF
1272 IF (n_max == 1) THEN
1273 IF (prop_exp == 0) THEN
1274 CALL pgf_sum_3c_rspace_1d_1_3_1_exp_0 (s_g, ra, rb, rc, &
1275 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1276 RETURN
1277 END IF
1278 IF (prop_exp == 1) THEN
1279 CALL pgf_sum_3c_rspace_1d_1_3_1_exp_1 (s_g, ra, rb, rc, &
1280 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1281 RETURN
1282 END IF
1283 END IF
1284 IF (n_max == 2) THEN
1285 IF (prop_exp == 0) THEN
1286 CALL pgf_sum_3c_rspace_1d_1_3_2_exp_0 (s_g, ra, rb, rc, &
1287 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1288 RETURN
1289 END IF
1290 IF (prop_exp == 1) THEN
1291 CALL pgf_sum_3c_rspace_1d_1_3_2_exp_1 (s_g, ra, rb, rc, &
1292 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1293 RETURN
1294 END IF
1295 END IF
1296 IF (n_max == 3) THEN
1297 IF (prop_exp == 0) THEN
1298 CALL pgf_sum_3c_rspace_1d_1_3_3_exp_0 (s_g, ra, rb, rc, &
1299 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1300 RETURN
1301 END IF
1302 IF (prop_exp == 1) THEN
1303 CALL pgf_sum_3c_rspace_1d_1_3_3_exp_1 (s_g, ra, rb, rc, &
1304 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1305 RETURN
1306 END IF
1307 END IF
1308 IF (n_max == 4) THEN
1309 IF (prop_exp == 0) THEN
1310 CALL pgf_sum_3c_rspace_1d_1_3_4_exp_0 (s_g, ra, rb, rc, &
1311 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1312 RETURN
1313 END IF
1314 IF (prop_exp == 1) THEN
1315 CALL pgf_sum_3c_rspace_1d_1_3_4_exp_1 (s_g, ra, rb, rc, &
1316 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1317 RETURN
1318 END IF
1319 END IF
1320 END IF
1321 IF (m_max == 4) THEN
1322 IF (n_max == 0) THEN
1323 IF (prop_exp == 0) THEN
1324 CALL pgf_sum_3c_rspace_1d_1_4_0_exp_0 (s_g, ra, rb, rc, &
1325 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1326 RETURN
1327 END IF
1328 IF (prop_exp == 1) THEN
1329 CALL pgf_sum_3c_rspace_1d_1_4_0_exp_1 (s_g, ra, rb, rc, &
1330 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1331 RETURN
1332 END IF
1333 END IF
1334 IF (n_max == 1) THEN
1335 IF (prop_exp == 0) THEN
1336 CALL pgf_sum_3c_rspace_1d_1_4_1_exp_0 (s_g, ra, rb, rc, &
1337 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1338 RETURN
1339 END IF
1340 IF (prop_exp == 1) THEN
1341 CALL pgf_sum_3c_rspace_1d_1_4_1_exp_1 (s_g, ra, rb, rc, &
1342 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1343 RETURN
1344 END IF
1345 END IF
1346 IF (n_max == 2) THEN
1347 IF (prop_exp == 0) THEN
1348 CALL pgf_sum_3c_rspace_1d_1_4_2_exp_0 (s_g, ra, rb, rc, &
1349 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1350 RETURN
1351 END IF
1352 IF (prop_exp == 1) THEN
1353 CALL pgf_sum_3c_rspace_1d_1_4_2_exp_1 (s_g, ra, rb, rc, &
1354 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1355 RETURN
1356 END IF
1357 END IF
1358 IF (n_max == 3) THEN
1359 IF (prop_exp == 0) THEN
1360 CALL pgf_sum_3c_rspace_1d_1_4_3_exp_0 (s_g, ra, rb, rc, &
1361 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1362 RETURN
1363 END IF
1364 IF (prop_exp == 1) THEN
1365 CALL pgf_sum_3c_rspace_1d_1_4_3_exp_1 (s_g, ra, rb, rc, &
1366 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1367 RETURN
1368 END IF
1369 END IF
1370 IF (n_max == 4) THEN
1371 IF (prop_exp == 0) THEN
1372 CALL pgf_sum_3c_rspace_1d_1_4_4_exp_0 (s_g, ra, rb, rc, &
1373 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1374 RETURN
1375 END IF
1376 IF (prop_exp == 1) THEN
1377 CALL pgf_sum_3c_rspace_1d_1_4_4_exp_1 (s_g, ra, rb, rc, &
1378 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1379 RETURN
1380 END IF
1381 END IF
1382 END IF
1383 END IF
1384 IF (l_max == 2) THEN
1385 IF (m_max == 0) THEN
1386 IF (n_max == 0) THEN
1387 IF (prop_exp == 0) THEN
1388 CALL pgf_sum_3c_rspace_1d_2_0_0_exp_0 (s_g, ra, rb, rc, &
1389 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1390 RETURN
1391 END IF
1392 IF (prop_exp == 1) THEN
1393 CALL pgf_sum_3c_rspace_1d_2_0_0_exp_1 (s_g, ra, rb, rc, &
1394 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1395 RETURN
1396 END IF
1397 END IF
1398 IF (n_max == 1) THEN
1399 IF (prop_exp == 0) THEN
1400 CALL pgf_sum_3c_rspace_1d_2_0_1_exp_0 (s_g, ra, rb, rc, &
1401 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1402 RETURN
1403 END IF
1404 IF (prop_exp == 1) THEN
1405 CALL pgf_sum_3c_rspace_1d_2_0_1_exp_1 (s_g, ra, rb, rc, &
1406 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1407 RETURN
1408 END IF
1409 END IF
1410 IF (n_max == 2) THEN
1411 IF (prop_exp == 0) THEN
1412 CALL pgf_sum_3c_rspace_1d_2_0_2_exp_0 (s_g, ra, rb, rc, &
1413 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1414 RETURN
1415 END IF
1416 IF (prop_exp == 1) THEN
1417 CALL pgf_sum_3c_rspace_1d_2_0_2_exp_1 (s_g, ra, rb, rc, &
1418 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1419 RETURN
1420 END IF
1421 END IF
1422 IF (n_max == 3) THEN
1423 IF (prop_exp == 0) THEN
1424 CALL pgf_sum_3c_rspace_1d_2_0_3_exp_0 (s_g, ra, rb, rc, &
1425 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1426 RETURN
1427 END IF
1428 IF (prop_exp == 1) THEN
1429 CALL pgf_sum_3c_rspace_1d_2_0_3_exp_1 (s_g, ra, rb, rc, &
1430 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1431 RETURN
1432 END IF
1433 END IF
1434 IF (n_max == 4) THEN
1435 IF (prop_exp == 0) THEN
1436 CALL pgf_sum_3c_rspace_1d_2_0_4_exp_0 (s_g, ra, rb, rc, &
1437 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1438 RETURN
1439 END IF
1440 IF (prop_exp == 1) THEN
1441 CALL pgf_sum_3c_rspace_1d_2_0_4_exp_1 (s_g, ra, rb, rc, &
1442 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1443 RETURN
1444 END IF
1445 END IF
1446 END IF
1447 IF (m_max == 1) THEN
1448 IF (n_max == 0) THEN
1449 IF (prop_exp == 0) THEN
1450 CALL pgf_sum_3c_rspace_1d_2_1_0_exp_0 (s_g, ra, rb, rc, &
1451 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1452 RETURN
1453 END IF
1454 IF (prop_exp == 1) THEN
1455 CALL pgf_sum_3c_rspace_1d_2_1_0_exp_1 (s_g, ra, rb, rc, &
1456 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1457 RETURN
1458 END IF
1459 END IF
1460 IF (n_max == 1) THEN
1461 IF (prop_exp == 0) THEN
1462 CALL pgf_sum_3c_rspace_1d_2_1_1_exp_0 (s_g, ra, rb, rc, &
1463 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1464 RETURN
1465 END IF
1466 IF (prop_exp == 1) THEN
1467 CALL pgf_sum_3c_rspace_1d_2_1_1_exp_1 (s_g, ra, rb, rc, &
1468 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1469 RETURN
1470 END IF
1471 END IF
1472 IF (n_max == 2) THEN
1473 IF (prop_exp == 0) THEN
1474 CALL pgf_sum_3c_rspace_1d_2_1_2_exp_0 (s_g, ra, rb, rc, &
1475 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1476 RETURN
1477 END IF
1478 IF (prop_exp == 1) THEN
1479 CALL pgf_sum_3c_rspace_1d_2_1_2_exp_1 (s_g, ra, rb, rc, &
1480 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1481 RETURN
1482 END IF
1483 END IF
1484 IF (n_max == 3) THEN
1485 IF (prop_exp == 0) THEN
1486 CALL pgf_sum_3c_rspace_1d_2_1_3_exp_0 (s_g, ra, rb, rc, &
1487 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1488 RETURN
1489 END IF
1490 IF (prop_exp == 1) THEN
1491 CALL pgf_sum_3c_rspace_1d_2_1_3_exp_1 (s_g, ra, rb, rc, &
1492 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1493 RETURN
1494 END IF
1495 END IF
1496 IF (n_max == 4) THEN
1497 IF (prop_exp == 0) THEN
1498 CALL pgf_sum_3c_rspace_1d_2_1_4_exp_0 (s_g, ra, rb, rc, &
1499 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1500 RETURN
1501 END IF
1502 IF (prop_exp == 1) THEN
1503 CALL pgf_sum_3c_rspace_1d_2_1_4_exp_1 (s_g, ra, rb, rc, &
1504 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1505 RETURN
1506 END IF
1507 END IF
1508 END IF
1509 IF (m_max == 2) THEN
1510 IF (n_max == 0) THEN
1511 IF (prop_exp == 0) THEN
1512 CALL pgf_sum_3c_rspace_1d_2_2_0_exp_0 (s_g, ra, rb, rc, &
1513 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1514 RETURN
1515 END IF
1516 IF (prop_exp == 1) THEN
1517 CALL pgf_sum_3c_rspace_1d_2_2_0_exp_1 (s_g, ra, rb, rc, &
1518 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1519 RETURN
1520 END IF
1521 END IF
1522 IF (n_max == 1) THEN
1523 IF (prop_exp == 0) THEN
1524 CALL pgf_sum_3c_rspace_1d_2_2_1_exp_0 (s_g, ra, rb, rc, &
1525 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1526 RETURN
1527 END IF
1528 IF (prop_exp == 1) THEN
1529 CALL pgf_sum_3c_rspace_1d_2_2_1_exp_1 (s_g, ra, rb, rc, &
1530 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1531 RETURN
1532 END IF
1533 END IF
1534 IF (n_max == 2) THEN
1535 IF (prop_exp == 0) THEN
1536 CALL pgf_sum_3c_rspace_1d_2_2_2_exp_0 (s_g, ra, rb, rc, &
1537 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1538 RETURN
1539 END IF
1540 IF (prop_exp == 1) THEN
1541 CALL pgf_sum_3c_rspace_1d_2_2_2_exp_1 (s_g, ra, rb, rc, &
1542 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1543 RETURN
1544 END IF
1545 END IF
1546 IF (n_max == 3) THEN
1547 IF (prop_exp == 0) THEN
1548 CALL pgf_sum_3c_rspace_1d_2_2_3_exp_0 (s_g, ra, rb, rc, &
1549 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1550 RETURN
1551 END IF
1552 IF (prop_exp == 1) THEN
1553 CALL pgf_sum_3c_rspace_1d_2_2_3_exp_1 (s_g, ra, rb, rc, &
1554 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1555 RETURN
1556 END IF
1557 END IF
1558 IF (n_max == 4) THEN
1559 IF (prop_exp == 0) THEN
1560 CALL pgf_sum_3c_rspace_1d_2_2_4_exp_0 (s_g, ra, rb, rc, &
1561 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1562 RETURN
1563 END IF
1564 IF (prop_exp == 1) THEN
1565 CALL pgf_sum_3c_rspace_1d_2_2_4_exp_1 (s_g, ra, rb, rc, &
1566 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1567 RETURN
1568 END IF
1569 END IF
1570 END IF
1571 IF (m_max == 3) THEN
1572 IF (n_max == 0) THEN
1573 IF (prop_exp == 0) THEN
1574 CALL pgf_sum_3c_rspace_1d_2_3_0_exp_0 (s_g, ra, rb, rc, &
1575 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1576 RETURN
1577 END IF
1578 IF (prop_exp == 1) THEN
1579 CALL pgf_sum_3c_rspace_1d_2_3_0_exp_1 (s_g, ra, rb, rc, &
1580 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1581 RETURN
1582 END IF
1583 END IF
1584 IF (n_max == 1) THEN
1585 IF (prop_exp == 0) THEN
1586 CALL pgf_sum_3c_rspace_1d_2_3_1_exp_0 (s_g, ra, rb, rc, &
1587 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1588 RETURN
1589 END IF
1590 IF (prop_exp == 1) THEN
1591 CALL pgf_sum_3c_rspace_1d_2_3_1_exp_1 (s_g, ra, rb, rc, &
1592 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1593 RETURN
1594 END IF
1595 END IF
1596 IF (n_max == 2) THEN
1597 IF (prop_exp == 0) THEN
1598 CALL pgf_sum_3c_rspace_1d_2_3_2_exp_0 (s_g, ra, rb, rc, &
1599 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1600 RETURN
1601 END IF
1602 IF (prop_exp == 1) THEN
1603 CALL pgf_sum_3c_rspace_1d_2_3_2_exp_1 (s_g, ra, rb, rc, &
1604 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1605 RETURN
1606 END IF
1607 END IF
1608 IF (n_max == 3) THEN
1609 IF (prop_exp == 0) THEN
1610 CALL pgf_sum_3c_rspace_1d_2_3_3_exp_0 (s_g, ra, rb, rc, &
1611 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1612 RETURN
1613 END IF
1614 IF (prop_exp == 1) THEN
1615 CALL pgf_sum_3c_rspace_1d_2_3_3_exp_1 (s_g, ra, rb, rc, &
1616 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1617 RETURN
1618 END IF
1619 END IF
1620 IF (n_max == 4) THEN
1621 IF (prop_exp == 0) THEN
1622 CALL pgf_sum_3c_rspace_1d_2_3_4_exp_0 (s_g, ra, rb, rc, &
1623 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1624 RETURN
1625 END IF
1626 IF (prop_exp == 1) THEN
1627 CALL pgf_sum_3c_rspace_1d_2_3_4_exp_1 (s_g, ra, rb, rc, &
1628 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1629 RETURN
1630 END IF
1631 END IF
1632 END IF
1633 IF (m_max == 4) THEN
1634 IF (n_max == 0) THEN
1635 IF (prop_exp == 0) THEN
1636 CALL pgf_sum_3c_rspace_1d_2_4_0_exp_0 (s_g, ra, rb, rc, &
1637 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1638 RETURN
1639 END IF
1640 IF (prop_exp == 1) THEN
1641 CALL pgf_sum_3c_rspace_1d_2_4_0_exp_1 (s_g, ra, rb, rc, &
1642 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1643 RETURN
1644 END IF
1645 END IF
1646 IF (n_max == 1) THEN
1647 IF (prop_exp == 0) THEN
1648 CALL pgf_sum_3c_rspace_1d_2_4_1_exp_0 (s_g, ra, rb, rc, &
1649 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1650 RETURN
1651 END IF
1652 IF (prop_exp == 1) THEN
1653 CALL pgf_sum_3c_rspace_1d_2_4_1_exp_1 (s_g, ra, rb, rc, &
1654 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1655 RETURN
1656 END IF
1657 END IF
1658 IF (n_max == 2) THEN
1659 IF (prop_exp == 0) THEN
1660 CALL pgf_sum_3c_rspace_1d_2_4_2_exp_0 (s_g, ra, rb, rc, &
1661 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1662 RETURN
1663 END IF
1664 IF (prop_exp == 1) THEN
1665 CALL pgf_sum_3c_rspace_1d_2_4_2_exp_1 (s_g, ra, rb, rc, &
1666 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1667 RETURN
1668 END IF
1669 END IF
1670 IF (n_max == 3) THEN
1671 IF (prop_exp == 0) THEN
1672 CALL pgf_sum_3c_rspace_1d_2_4_3_exp_0 (s_g, ra, rb, rc, &
1673 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1674 RETURN
1675 END IF
1676 IF (prop_exp == 1) THEN
1677 CALL pgf_sum_3c_rspace_1d_2_4_3_exp_1 (s_g, ra, rb, rc, &
1678 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1679 RETURN
1680 END IF
1681 END IF
1682 IF (n_max == 4) THEN
1683 IF (prop_exp == 0) THEN
1684 CALL pgf_sum_3c_rspace_1d_2_4_4_exp_0 (s_g, ra, rb, rc, &
1685 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1686 RETURN
1687 END IF
1688 IF (prop_exp == 1) THEN
1689 CALL pgf_sum_3c_rspace_1d_2_4_4_exp_1 (s_g, ra, rb, rc, &
1690 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1691 RETURN
1692 END IF
1693 END IF
1694 END IF
1695 END IF
1696 IF (l_max == 3) THEN
1697 IF (m_max == 0) THEN
1698 IF (n_max == 0) THEN
1699 IF (prop_exp == 0) THEN
1700 CALL pgf_sum_3c_rspace_1d_3_0_0_exp_0 (s_g, ra, rb, rc, &
1701 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1702 RETURN
1703 END IF
1704 IF (prop_exp == 1) THEN
1705 CALL pgf_sum_3c_rspace_1d_3_0_0_exp_1 (s_g, ra, rb, rc, &
1706 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1707 RETURN
1708 END IF
1709 END IF
1710 IF (n_max == 1) THEN
1711 IF (prop_exp == 0) THEN
1712 CALL pgf_sum_3c_rspace_1d_3_0_1_exp_0 (s_g, ra, rb, rc, &
1713 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1714 RETURN
1715 END IF
1716 IF (prop_exp == 1) THEN
1717 CALL pgf_sum_3c_rspace_1d_3_0_1_exp_1 (s_g, ra, rb, rc, &
1718 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1719 RETURN
1720 END IF
1721 END IF
1722 IF (n_max == 2) THEN
1723 IF (prop_exp == 0) THEN
1724 CALL pgf_sum_3c_rspace_1d_3_0_2_exp_0 (s_g, ra, rb, rc, &
1725 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1726 RETURN
1727 END IF
1728 IF (prop_exp == 1) THEN
1729 CALL pgf_sum_3c_rspace_1d_3_0_2_exp_1 (s_g, ra, rb, rc, &
1730 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1731 RETURN
1732 END IF
1733 END IF
1734 IF (n_max == 3) THEN
1735 IF (prop_exp == 0) THEN
1736 CALL pgf_sum_3c_rspace_1d_3_0_3_exp_0 (s_g, ra, rb, rc, &
1737 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1738 RETURN
1739 END IF
1740 IF (prop_exp == 1) THEN
1741 CALL pgf_sum_3c_rspace_1d_3_0_3_exp_1 (s_g, ra, rb, rc, &
1742 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1743 RETURN
1744 END IF
1745 END IF
1746 IF (n_max == 4) THEN
1747 IF (prop_exp == 0) THEN
1748 CALL pgf_sum_3c_rspace_1d_3_0_4_exp_0 (s_g, ra, rb, rc, &
1749 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1750 RETURN
1751 END IF
1752 IF (prop_exp == 1) THEN
1753 CALL pgf_sum_3c_rspace_1d_3_0_4_exp_1 (s_g, ra, rb, rc, &
1754 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1755 RETURN
1756 END IF
1757 END IF
1758 END IF
1759 IF (m_max == 1) THEN
1760 IF (n_max == 0) THEN
1761 IF (prop_exp == 0) THEN
1762 CALL pgf_sum_3c_rspace_1d_3_1_0_exp_0 (s_g, ra, rb, rc, &
1763 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1764 RETURN
1765 END IF
1766 IF (prop_exp == 1) THEN
1767 CALL pgf_sum_3c_rspace_1d_3_1_0_exp_1 (s_g, ra, rb, rc, &
1768 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1769 RETURN
1770 END IF
1771 END IF
1772 IF (n_max == 1) THEN
1773 IF (prop_exp == 0) THEN
1774 CALL pgf_sum_3c_rspace_1d_3_1_1_exp_0 (s_g, ra, rb, rc, &
1775 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1776 RETURN
1777 END IF
1778 IF (prop_exp == 1) THEN
1779 CALL pgf_sum_3c_rspace_1d_3_1_1_exp_1 (s_g, ra, rb, rc, &
1780 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1781 RETURN
1782 END IF
1783 END IF
1784 IF (n_max == 2) THEN
1785 IF (prop_exp == 0) THEN
1786 CALL pgf_sum_3c_rspace_1d_3_1_2_exp_0 (s_g, ra, rb, rc, &
1787 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1788 RETURN
1789 END IF
1790 IF (prop_exp == 1) THEN
1791 CALL pgf_sum_3c_rspace_1d_3_1_2_exp_1 (s_g, ra, rb, rc, &
1792 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1793 RETURN
1794 END IF
1795 END IF
1796 IF (n_max == 3) THEN
1797 IF (prop_exp == 0) THEN
1798 CALL pgf_sum_3c_rspace_1d_3_1_3_exp_0 (s_g, ra, rb, rc, &
1799 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1800 RETURN
1801 END IF
1802 IF (prop_exp == 1) THEN
1803 CALL pgf_sum_3c_rspace_1d_3_1_3_exp_1 (s_g, ra, rb, rc, &
1804 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1805 RETURN
1806 END IF
1807 END IF
1808 IF (n_max == 4) THEN
1809 IF (prop_exp == 0) THEN
1810 CALL pgf_sum_3c_rspace_1d_3_1_4_exp_0 (s_g, ra, rb, rc, &
1811 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1812 RETURN
1813 END IF
1814 IF (prop_exp == 1) THEN
1815 CALL pgf_sum_3c_rspace_1d_3_1_4_exp_1 (s_g, ra, rb, rc, &
1816 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1817 RETURN
1818 END IF
1819 END IF
1820 END IF
1821 IF (m_max == 2) THEN
1822 IF (n_max == 0) THEN
1823 IF (prop_exp == 0) THEN
1824 CALL pgf_sum_3c_rspace_1d_3_2_0_exp_0 (s_g, ra, rb, rc, &
1825 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1826 RETURN
1827 END IF
1828 IF (prop_exp == 1) THEN
1829 CALL pgf_sum_3c_rspace_1d_3_2_0_exp_1 (s_g, ra, rb, rc, &
1830 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1831 RETURN
1832 END IF
1833 END IF
1834 IF (n_max == 1) THEN
1835 IF (prop_exp == 0) THEN
1836 CALL pgf_sum_3c_rspace_1d_3_2_1_exp_0 (s_g, ra, rb, rc, &
1837 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1838 RETURN
1839 END IF
1840 IF (prop_exp == 1) THEN
1841 CALL pgf_sum_3c_rspace_1d_3_2_1_exp_1 (s_g, ra, rb, rc, &
1842 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1843 RETURN
1844 END IF
1845 END IF
1846 IF (n_max == 2) THEN
1847 IF (prop_exp == 0) THEN
1848 CALL pgf_sum_3c_rspace_1d_3_2_2_exp_0 (s_g, ra, rb, rc, &
1849 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1850 RETURN
1851 END IF
1852 IF (prop_exp == 1) THEN
1853 CALL pgf_sum_3c_rspace_1d_3_2_2_exp_1 (s_g, ra, rb, rc, &
1854 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1855 RETURN
1856 END IF
1857 END IF
1858 IF (n_max == 3) THEN
1859 IF (prop_exp == 0) THEN
1860 CALL pgf_sum_3c_rspace_1d_3_2_3_exp_0 (s_g, ra, rb, rc, &
1861 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1862 RETURN
1863 END IF
1864 IF (prop_exp == 1) THEN
1865 CALL pgf_sum_3c_rspace_1d_3_2_3_exp_1 (s_g, ra, rb, rc, &
1866 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1867 RETURN
1868 END IF
1869 END IF
1870 IF (n_max == 4) THEN
1871 IF (prop_exp == 0) THEN
1872 CALL pgf_sum_3c_rspace_1d_3_2_4_exp_0 (s_g, ra, rb, rc, &
1873 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1874 RETURN
1875 END IF
1876 IF (prop_exp == 1) THEN
1877 CALL pgf_sum_3c_rspace_1d_3_2_4_exp_1 (s_g, ra, rb, rc, &
1878 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1879 RETURN
1880 END IF
1881 END IF
1882 END IF
1883 IF (m_max == 3) THEN
1884 IF (n_max == 0) THEN
1885 IF (prop_exp == 0) THEN
1886 CALL pgf_sum_3c_rspace_1d_3_3_0_exp_0 (s_g, ra, rb, rc, &
1887 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1888 RETURN
1889 END IF
1890 IF (prop_exp == 1) THEN
1891 CALL pgf_sum_3c_rspace_1d_3_3_0_exp_1 (s_g, ra, rb, rc, &
1892 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1893 RETURN
1894 END IF
1895 END IF
1896 IF (n_max == 1) THEN
1897 IF (prop_exp == 0) THEN
1898 CALL pgf_sum_3c_rspace_1d_3_3_1_exp_0 (s_g, ra, rb, rc, &
1899 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1900 RETURN
1901 END IF
1902 IF (prop_exp == 1) THEN
1903 CALL pgf_sum_3c_rspace_1d_3_3_1_exp_1 (s_g, ra, rb, rc, &
1904 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1905 RETURN
1906 END IF
1907 END IF
1908 IF (n_max == 2) THEN
1909 IF (prop_exp == 0) THEN
1910 CALL pgf_sum_3c_rspace_1d_3_3_2_exp_0 (s_g, ra, rb, rc, &
1911 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1912 RETURN
1913 END IF
1914 IF (prop_exp == 1) THEN
1915 CALL pgf_sum_3c_rspace_1d_3_3_2_exp_1 (s_g, ra, rb, rc, &
1916 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1917 RETURN
1918 END IF
1919 END IF
1920 IF (n_max == 3) THEN
1921 IF (prop_exp == 0) THEN
1922 CALL pgf_sum_3c_rspace_1d_3_3_3_exp_0 (s_g, ra, rb, rc, &
1923 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1924 RETURN
1925 END IF
1926 IF (prop_exp == 1) THEN
1927 CALL pgf_sum_3c_rspace_1d_3_3_3_exp_1 (s_g, ra, rb, rc, &
1928 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1929 RETURN
1930 END IF
1931 END IF
1932 IF (n_max == 4) THEN
1933 IF (prop_exp == 0) THEN
1934 CALL pgf_sum_3c_rspace_1d_3_3_4_exp_0 (s_g, ra, rb, rc, &
1935 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1936 RETURN
1937 END IF
1938 IF (prop_exp == 1) THEN
1939 CALL pgf_sum_3c_rspace_1d_3_3_4_exp_1 (s_g, ra, rb, rc, &
1940 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1941 RETURN
1942 END IF
1943 END IF
1944 END IF
1945 IF (m_max == 4) THEN
1946 IF (n_max == 0) THEN
1947 IF (prop_exp == 0) THEN
1948 CALL pgf_sum_3c_rspace_1d_3_4_0_exp_0 (s_g, ra, rb, rc, &
1949 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1950 RETURN
1951 END IF
1952 IF (prop_exp == 1) THEN
1953 CALL pgf_sum_3c_rspace_1d_3_4_0_exp_1 (s_g, ra, rb, rc, &
1954 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1955 RETURN
1956 END IF
1957 END IF
1958 IF (n_max == 1) THEN
1959 IF (prop_exp == 0) THEN
1960 CALL pgf_sum_3c_rspace_1d_3_4_1_exp_0 (s_g, ra, rb, rc, &
1961 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1962 RETURN
1963 END IF
1964 IF (prop_exp == 1) THEN
1965 CALL pgf_sum_3c_rspace_1d_3_4_1_exp_1 (s_g, ra, rb, rc, &
1966 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1967 RETURN
1968 END IF
1969 END IF
1970 IF (n_max == 2) THEN
1971 IF (prop_exp == 0) THEN
1972 CALL pgf_sum_3c_rspace_1d_3_4_2_exp_0 (s_g, ra, rb, rc, &
1973 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1974 RETURN
1975 END IF
1976 IF (prop_exp == 1) THEN
1977 CALL pgf_sum_3c_rspace_1d_3_4_2_exp_1 (s_g, ra, rb, rc, &
1978 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1979 RETURN
1980 END IF
1981 END IF
1982 IF (n_max == 3) THEN
1983 IF (prop_exp == 0) THEN
1984 CALL pgf_sum_3c_rspace_1d_3_4_3_exp_0 (s_g, ra, rb, rc, &
1985 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1986 RETURN
1987 END IF
1988 IF (prop_exp == 1) THEN
1989 CALL pgf_sum_3c_rspace_1d_3_4_3_exp_1 (s_g, ra, rb, rc, &
1990 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1991 RETURN
1992 END IF
1993 END IF
1994 IF (n_max == 4) THEN
1995 IF (prop_exp == 0) THEN
1996 CALL pgf_sum_3c_rspace_1d_3_4_4_exp_0 (s_g, ra, rb, rc, &
1997 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1998 RETURN
1999 END IF
2000 IF (prop_exp == 1) THEN
2001 CALL pgf_sum_3c_rspace_1d_3_4_4_exp_1 (s_g, ra, rb, rc, &
2002 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2003 RETURN
2004 END IF
2005 END IF
2006 END IF
2007 END IF
2008 IF (l_max == 4) THEN
2009 IF (m_max == 0) THEN
2010 IF (n_max == 0) THEN
2011 IF (prop_exp == 0) THEN
2012 CALL pgf_sum_3c_rspace_1d_4_0_0_exp_0 (s_g, ra, rb, rc, &
2013 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2014 RETURN
2015 END IF
2016 IF (prop_exp == 1) THEN
2017 CALL pgf_sum_3c_rspace_1d_4_0_0_exp_1 (s_g, ra, rb, rc, &
2018 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2019 RETURN
2020 END IF
2021 END IF
2022 IF (n_max == 1) THEN
2023 IF (prop_exp == 0) THEN
2024 CALL pgf_sum_3c_rspace_1d_4_0_1_exp_0 (s_g, ra, rb, rc, &
2025 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2026 RETURN
2027 END IF
2028 IF (prop_exp == 1) THEN
2029 CALL pgf_sum_3c_rspace_1d_4_0_1_exp_1 (s_g, ra, rb, rc, &
2030 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2031 RETURN
2032 END IF
2033 END IF
2034 IF (n_max == 2) THEN
2035 IF (prop_exp == 0) THEN
2036 CALL pgf_sum_3c_rspace_1d_4_0_2_exp_0 (s_g, ra, rb, rc, &
2037 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2038 RETURN
2039 END IF
2040 IF (prop_exp == 1) THEN
2041 CALL pgf_sum_3c_rspace_1d_4_0_2_exp_1 (s_g, ra, rb, rc, &
2042 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2043 RETURN
2044 END IF
2045 END IF
2046 IF (n_max == 3) THEN
2047 IF (prop_exp == 0) THEN
2048 CALL pgf_sum_3c_rspace_1d_4_0_3_exp_0 (s_g, ra, rb, rc, &
2049 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2050 RETURN
2051 END IF
2052 IF (prop_exp == 1) THEN
2053 CALL pgf_sum_3c_rspace_1d_4_0_3_exp_1 (s_g, ra, rb, rc, &
2054 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2055 RETURN
2056 END IF
2057 END IF
2058 IF (n_max == 4) THEN
2059 IF (prop_exp == 0) THEN
2060 CALL pgf_sum_3c_rspace_1d_4_0_4_exp_0 (s_g, ra, rb, rc, &
2061 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2062 RETURN
2063 END IF
2064 IF (prop_exp == 1) THEN
2065 CALL pgf_sum_3c_rspace_1d_4_0_4_exp_1 (s_g, ra, rb, rc, &
2066 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2067 RETURN
2068 END IF
2069 END IF
2070 END IF
2071 IF (m_max == 1) THEN
2072 IF (n_max == 0) THEN
2073 IF (prop_exp == 0) THEN
2074 CALL pgf_sum_3c_rspace_1d_4_1_0_exp_0 (s_g, ra, rb, rc, &
2075 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2076 RETURN
2077 END IF
2078 IF (prop_exp == 1) THEN
2079 CALL pgf_sum_3c_rspace_1d_4_1_0_exp_1 (s_g, ra, rb, rc, &
2080 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2081 RETURN
2082 END IF
2083 END IF
2084 IF (n_max == 1) THEN
2085 IF (prop_exp == 0) THEN
2086 CALL pgf_sum_3c_rspace_1d_4_1_1_exp_0 (s_g, ra, rb, rc, &
2087 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2088 RETURN
2089 END IF
2090 IF (prop_exp == 1) THEN
2091 CALL pgf_sum_3c_rspace_1d_4_1_1_exp_1 (s_g, ra, rb, rc, &
2092 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2093 RETURN
2094 END IF
2095 END IF
2096 IF (n_max == 2) THEN
2097 IF (prop_exp == 0) THEN
2098 CALL pgf_sum_3c_rspace_1d_4_1_2_exp_0 (s_g, ra, rb, rc, &
2099 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2100 RETURN
2101 END IF
2102 IF (prop_exp == 1) THEN
2103 CALL pgf_sum_3c_rspace_1d_4_1_2_exp_1 (s_g, ra, rb, rc, &
2104 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2105 RETURN
2106 END IF
2107 END IF
2108 IF (n_max == 3) THEN
2109 IF (prop_exp == 0) THEN
2110 CALL pgf_sum_3c_rspace_1d_4_1_3_exp_0 (s_g, ra, rb, rc, &
2111 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2112 RETURN
2113 END IF
2114 IF (prop_exp == 1) THEN
2115 CALL pgf_sum_3c_rspace_1d_4_1_3_exp_1 (s_g, ra, rb, rc, &
2116 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2117 RETURN
2118 END IF
2119 END IF
2120 IF (n_max == 4) THEN
2121 IF (prop_exp == 0) THEN
2122 CALL pgf_sum_3c_rspace_1d_4_1_4_exp_0 (s_g, ra, rb, rc, &
2123 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2124 RETURN
2125 END IF
2126 IF (prop_exp == 1) THEN
2127 CALL pgf_sum_3c_rspace_1d_4_1_4_exp_1 (s_g, ra, rb, rc, &
2128 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2129 RETURN
2130 END IF
2131 END IF
2132 END IF
2133 IF (m_max == 2) THEN
2134 IF (n_max == 0) THEN
2135 IF (prop_exp == 0) THEN
2136 CALL pgf_sum_3c_rspace_1d_4_2_0_exp_0 (s_g, ra, rb, rc, &
2137 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2138 RETURN
2139 END IF
2140 IF (prop_exp == 1) THEN
2141 CALL pgf_sum_3c_rspace_1d_4_2_0_exp_1 (s_g, ra, rb, rc, &
2142 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2143 RETURN
2144 END IF
2145 END IF
2146 IF (n_max == 1) THEN
2147 IF (prop_exp == 0) THEN
2148 CALL pgf_sum_3c_rspace_1d_4_2_1_exp_0 (s_g, ra, rb, rc, &
2149 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2150 RETURN
2151 END IF
2152 IF (prop_exp == 1) THEN
2153 CALL pgf_sum_3c_rspace_1d_4_2_1_exp_1 (s_g, ra, rb, rc, &
2154 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2155 RETURN
2156 END IF
2157 END IF
2158 IF (n_max == 2) THEN
2159 IF (prop_exp == 0) THEN
2160 CALL pgf_sum_3c_rspace_1d_4_2_2_exp_0 (s_g, ra, rb, rc, &
2161 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2162 RETURN
2163 END IF
2164 IF (prop_exp == 1) THEN
2165 CALL pgf_sum_3c_rspace_1d_4_2_2_exp_1 (s_g, ra, rb, rc, &
2166 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2167 RETURN
2168 END IF
2169 END IF
2170 IF (n_max == 3) THEN
2171 IF (prop_exp == 0) THEN
2172 CALL pgf_sum_3c_rspace_1d_4_2_3_exp_0 (s_g, ra, rb, rc, &
2173 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2174 RETURN
2175 END IF
2176 IF (prop_exp == 1) THEN
2177 CALL pgf_sum_3c_rspace_1d_4_2_3_exp_1 (s_g, ra, rb, rc, &
2178 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2179 RETURN
2180 END IF
2181 END IF
2182 IF (n_max == 4) THEN
2183 IF (prop_exp == 0) THEN
2184 CALL pgf_sum_3c_rspace_1d_4_2_4_exp_0 (s_g, ra, rb, rc, &
2185 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2186 RETURN
2187 END IF
2188 IF (prop_exp == 1) THEN
2189 CALL pgf_sum_3c_rspace_1d_4_2_4_exp_1 (s_g, ra, rb, rc, &
2190 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2191 RETURN
2192 END IF
2193 END IF
2194 END IF
2195 IF (m_max == 3) THEN
2196 IF (n_max == 0) THEN
2197 IF (prop_exp == 0) THEN
2198 CALL pgf_sum_3c_rspace_1d_4_3_0_exp_0 (s_g, ra, rb, rc, &
2199 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2200 RETURN
2201 END IF
2202 IF (prop_exp == 1) THEN
2203 CALL pgf_sum_3c_rspace_1d_4_3_0_exp_1 (s_g, ra, rb, rc, &
2204 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2205 RETURN
2206 END IF
2207 END IF
2208 IF (n_max == 1) THEN
2209 IF (prop_exp == 0) THEN
2210 CALL pgf_sum_3c_rspace_1d_4_3_1_exp_0 (s_g, ra, rb, rc, &
2211 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2212 RETURN
2213 END IF
2214 IF (prop_exp == 1) THEN
2215 CALL pgf_sum_3c_rspace_1d_4_3_1_exp_1 (s_g, ra, rb, rc, &
2216 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2217 RETURN
2218 END IF
2219 END IF
2220 IF (n_max == 2) THEN
2221 IF (prop_exp == 0) THEN
2222 CALL pgf_sum_3c_rspace_1d_4_3_2_exp_0 (s_g, ra, rb, rc, &
2223 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2224 RETURN
2225 END IF
2226 IF (prop_exp == 1) THEN
2227 CALL pgf_sum_3c_rspace_1d_4_3_2_exp_1 (s_g, ra, rb, rc, &
2228 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2229 RETURN
2230 END IF
2231 END IF
2232 IF (n_max == 3) THEN
2233 IF (prop_exp == 0) THEN
2234 CALL pgf_sum_3c_rspace_1d_4_3_3_exp_0 (s_g, ra, rb, rc, &
2235 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2236 RETURN
2237 END IF
2238 IF (prop_exp == 1) THEN
2239 CALL pgf_sum_3c_rspace_1d_4_3_3_exp_1 (s_g, ra, rb, rc, &
2240 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2241 RETURN
2242 END IF
2243 END IF
2244 IF (n_max == 4) THEN
2245 IF (prop_exp == 0) THEN
2246 CALL pgf_sum_3c_rspace_1d_4_3_4_exp_0 (s_g, ra, rb, rc, &
2247 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2248 RETURN
2249 END IF
2250 IF (prop_exp == 1) THEN
2251 CALL pgf_sum_3c_rspace_1d_4_3_4_exp_1 (s_g, ra, rb, rc, &
2252 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2253 RETURN
2254 END IF
2255 END IF
2256 END IF
2257 IF (m_max == 4) THEN
2258 IF (n_max == 0) THEN
2259 IF (prop_exp == 0) THEN
2260 CALL pgf_sum_3c_rspace_1d_4_4_0_exp_0 (s_g, ra, rb, rc, &
2261 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2262 RETURN
2263 END IF
2264 IF (prop_exp == 1) THEN
2265 CALL pgf_sum_3c_rspace_1d_4_4_0_exp_1 (s_g, ra, rb, rc, &
2266 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2267 RETURN
2268 END IF
2269 END IF
2270 IF (n_max == 1) THEN
2271 IF (prop_exp == 0) THEN
2272 CALL pgf_sum_3c_rspace_1d_4_4_1_exp_0 (s_g, ra, rb, rc, &
2273 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2274 RETURN
2275 END IF
2276 IF (prop_exp == 1) THEN
2277 CALL pgf_sum_3c_rspace_1d_4_4_1_exp_1 (s_g, ra, rb, rc, &
2278 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2279 RETURN
2280 END IF
2281 END IF
2282 IF (n_max == 2) THEN
2283 IF (prop_exp == 0) THEN
2284 CALL pgf_sum_3c_rspace_1d_4_4_2_exp_0 (s_g, ra, rb, rc, &
2285 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2286 RETURN
2287 END IF
2288 IF (prop_exp == 1) THEN
2289 CALL pgf_sum_3c_rspace_1d_4_4_2_exp_1 (s_g, ra, rb, rc, &
2290 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2291 RETURN
2292 END IF
2293 END IF
2294 IF (n_max == 3) THEN
2295 IF (prop_exp == 0) THEN
2296 CALL pgf_sum_3c_rspace_1d_4_4_3_exp_0 (s_g, ra, rb, rc, &
2297 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2298 RETURN
2299 END IF
2300 IF (prop_exp == 1) THEN
2301 CALL pgf_sum_3c_rspace_1d_4_4_3_exp_1 (s_g, ra, rb, rc, &
2302 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2303 RETURN
2304 END IF
2305 END IF
2306 IF (n_max == 4) THEN
2307 IF (prop_exp == 0) THEN
2308 CALL pgf_sum_3c_rspace_1d_4_4_4_exp_0 (s_g, ra, rb, rc, &
2309 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2310 RETURN
2311 END IF
2312 IF (prop_exp == 1) THEN
2313 CALL pgf_sum_3c_rspace_1d_4_4_4_exp_1 (s_g, ra, rb, rc, &
2314 zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2315 RETURN
2316 END IF
2317 END IF
2318 END IF
2319 END IF
2320 END IF
2321
2322 END SUBROUTINE pgf_sum_3c_1d
2323
2324! **************************************************************************************************
2325!> \brief Roughly estimated number of floating point operations
2326!> \param ns_G1 ...
2327!> \param ns_G2 ...
2328!> \param l ...
2329!> \param m ...
2330!> \param n ...
2331!> \return ...
2332! **************************************************************************************************
2333 PURE FUNCTION nsum_3c_gspace_1d()
2334 INTEGER(KIND=int_8) :: nsum_3c_gspace_1d
2335
2336 nsum_3c_gspace_1d = 15
2337 END FUNCTION
2338
2339! **************************************************************************************************
2340!> \brief Roughly estimated number of floating point operations
2341!> \param ns_G ...
2342!> \param ns_R ...
2343!> \param l ...
2344!> \param m ...
2345!> \param n ...
2346!> \return ...
2347! **************************************************************************************************
2348 PURE FUNCTION nsum_product_3c_gspace_1d(ns_G, ns_R)
2349 REAL(kind=dp), INTENT(IN) :: ns_g, ns_r
2350 INTEGER(KIND=int_8) :: nsum_product_3c_gspace_1d
2351
2352 nsum_product_3c_gspace_1d = min(19, nint(ns_g*(3 + ns_r*2)))
2353 END FUNCTION
2354
2355! **************************************************************************************************
2356!> \brief Roughly estimated number of floating point operations
2357!> \param ns_R1 ...
2358!> \param ns_R2 ...
2359!> \param l ...
2360!> \param m ...
2361!> \param n ...
2362!> \return ...
2363! **************************************************************************************************
2364 PURE FUNCTION nsum_3c_rspace_1d(ns_R1, ns_R2)
2365 REAL(kind=dp), INTENT(IN) :: ns_r1, ns_r2
2366 INTEGER(KIND=int_8) :: nsum_3c_rspace_1d
2367
2368 nsum_3c_rspace_1d = nint(min((4 + ns_r1*2), ns_r1*(ns_r2 + 1)), kind=int_8)
2369 END FUNCTION
2370
2371! **************************************************************************************************
2372!> \brief Helper routine: compute SQRT(alpha/pi) (-1)^n sum_(R, R') sum_{t=0}^{l+m} E(t,l,m) H(RC - P(R) - R', t + n, alpha)
2373!> with alpha = 1.0_dp/((a + b + c)/((a + b)*c) + 4.0_dp*a_mm),
2374!> P(R) = (a*(RA + R) + b*RB)/(a + b)
2375!> \param S_R ...
2376!> \param RA ...
2377!> \param RB ...
2378!> \param RC ...
2379!> \param zeta ...
2380!> \param zetb ...
2381!> \param zetc ...
2382!> \param a_mm ...
2383!> \param lgth ...
2384!> \param R_c ...
2385! **************************************************************************************************
2386 PURE SUBROUTINE pgf_sum_3c_rspace_1d_generic(S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2387 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2388 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2389 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2390
2391 INTEGER :: ll, mm, l, k, l_max, m, m_max, n, n_max, rr1, rr2, t, l_tot_max
2392 REAL(kind=dp) :: alpha, dr, exp_tot, r, r1, r2, r_offset, &
2393 r_pow_t, r_tmp, rr1_delta, rr2_delta, c1, c2, c3
2394 REAL(kind=dp), ALLOCATABLE, DIMENSION(:) :: s_r_t
2395 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
2396 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: e
2397
2398 dr = lgth
2399 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2400 l_max = ubound(s_r, 1)
2401 m_max = ubound(s_r, 2)
2402 n_max = ubound(s_r, 3)
2403 l_tot_max = l_max + m_max + n_max
2404
2405 ALLOCATE (s_r_t(0:l_max + m_max + n_max))
2406 ALLOCATE (e(-1:l_max + m_max + 1, -1:l_max, -1:m_max))
2407
2408 s_r(:, :, :) = 0.0_dp
2409
2410 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2411
2412 ! inline CALL create_hermite_to_cartesian(alpha, l_tot_max, h_to_c)
2413 ALLOCATE (h_to_c(-1:l_tot_max + 1, 0:l_tot_max))
2414 h_to_c(:, :) = 0.0_dp
2415 h_to_c(0, 0) = 1.0_dp
2416 DO l = 0, l_tot_max - 1
2417 DO k = 0, l + 1
2418 h_to_c(k, l + 1) = -(k + 1)*h_to_c(k + 1, l) + 2.0_dp*alpha*h_to_c(k - 1, l)
2419 END DO
2420 END DO
2421
2422 rr1_delta = (ra - rb)/dr
2423 DO rr1 = ceiling(-r_c(1) + rr1_delta), floor(r_c(1) + rr1_delta)
2424 s_r_t(:) = 0.0_dp
2425 r1 = rr1*dr
2426 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2427 rr2_delta = -r_tmp/dr
2428 DO rr2 = ceiling(-r_c(2) + rr2_delta), floor(r_c(2) + rr2_delta)
2429 r2 = rr2*dr
2430 r = r_tmp + r2
2431 exp_tot = exp(-alpha*r**2) ! cost: exp_w flops
2432 r_pow_t = 1.0_dp
2433 DO t = 0, l_max + m_max + n_max
2434 s_r_t(t) = s_r_t(t) + r_pow_t*exp_tot ! cost: 2 flops
2435 r_pow_t = r_pow_t*r ! cost: 1 flop
2436 END DO
2437 END DO
2438
2439 ! C --> H
2440 s_r_t(:) = matmul(transpose(h_to_c(0:l_max + m_max + n_max, 0:l_max + m_max + n_max)), s_r_t)*sqrt(alpha/pi)
2441
2442 ! H --> HH
2443 !inline CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, RA-R1, RB, 2, E)
2444
2445 e(:, :, :) = 0.0_dp
2446 e(0, 0, 0) = exp(-zeta*zetb/(zeta + zetb)*(ra - r1 - rb)**2)
2447
2448 c1 = 1.0_dp/(zeta + zetb)
2449 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2450 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2451
2452 DO mm = 0, m_max - 1
2453 DO ll = 0, l_max - 1
2454 DO t = 0, ll + mm + 1
2455 e(t, ll + 1, mm) = zeta*(c1*e(t - 1, ll, mm) + &
2456 c2*e(t, ll, mm) + &
2457 2*(t + 1)*e(t + 1, ll, mm) - &
2458 2*ll*e(t, ll - 1, mm))
2459 e(t, ll, mm + 1) = zetb*(c1*e(t - 1, ll, mm) + &
2460 c3*e(t, ll, mm) + &
2461 2*(t + 1)*e(t + 1, ll, mm) - &
2462 2*mm*e(t, ll, mm - 1))
2463 END DO
2464 END DO
2465 END DO
2466
2467 DO ll = 0, l_max - 1
2468 DO t = 0, ll + m_max + 1
2469 e(t, ll + 1, m_max) = zeta*(c1*e(t - 1, ll, m_max) + &
2470 c2*e(t, ll, m_max) + &
2471 2*(t + 1)*e(t + 1, ll, m_max) - &
2472 2*ll*e(t, ll - 1, m_max))
2473 END DO
2474 END DO
2475
2476 DO mm = 0, m_max - 1
2477 DO t = 0, l_max + mm + 1
2478 e(t, l_max, mm + 1) = zetb*(c1*e(t - 1, l_max, mm) + &
2479 c3*e(t, l_max, mm) + &
2480 2*(t + 1)*e(t + 1, l_max, mm) - &
2481 2*mm*e(t, l_max, mm - 1))
2482 END DO
2483 END DO
2484
2485 DO n = 0, n_max
2486 DO m = 0, m_max
2487 DO l = 0, l_max
2488 DO t = 0, l + m
2489 s_r(l, m, n) = s_r(l, m, n) + e(t, l, m)*(-1)**n*s_r_t(t + n) ! cost: 5 flops
2490 END DO
2491 END DO
2492 END DO
2493 END DO
2494 END DO
2495
2496 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2497 END SUBROUTINE
2498
2499! **************************************************************************************************
2500!> \brief Helper routine: compute SQRT(alpha/pi) (-1)^n sum_(R, R') sum_{t=0}^{l+m} E(t,l,m) H(RC - P(R) - R', t + n, alpha)
2501!> with alpha = 1.0_dp/((a + b + c)/((a + b)*c) + 4.0_dp*a_mm),
2502!> P(R) = (a*(RA + R) + b*RB)/(a + b)
2503!> \param S_R ...
2504!> \param RA ...
2505!> \param RB ...
2506!> \param RC ...
2507!> \param zeta ...
2508!> \param zetb ...
2509!> \param zetc ...
2510!> \param a_mm ...
2511!> \param lgth ...
2512!> \param R_c ...
2513! **************************************************************************************************
2514 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_0_exp_0 ( &
2515 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2516 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2517 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2518 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2519 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2520 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2521 r_pow_t, r_tmp, rr1_delta, rr2_delta
2522
2523 REAL(kind=dp) :: s_r_t_0
2524 REAL(kind=dp) :: s_r_t2_0
2525 REAL(kind=dp) :: h_to_c_0_0
2526 REAL(kind=dp) :: e_0_0_0
2527
2528
2529 dr = lgth
2530 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2531
2532 s_r(:, :, :) = 0.0_dp
2533
2534 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2535
2536 h_to_c_0_0 = sqrt(alpha/pi)
2537
2538
2539
2540 rr1_delta = (ra - rb)/dr
2541
2542 rr1_l = ceiling(-r_c(1) + rr1_delta)
2543 rr1_r = floor(r_c(1) + rr1_delta)
2544
2545 r1 = rr1_l*dr
2546
2547 alpha_e = zeta*zetb/(zeta + zetb)
2548
2549 DO rr1 = rr1_l, rr1_r
2550 s_r_t_0 = 0.0_dp
2551 s_r_t2_0 = 0.0_dp
2552 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2553 rr2_delta = -r_tmp/dr
2554
2555 rr2_l = ceiling(-r_c(2) + rr2_delta)
2556 rr2_r = floor(r_c(2) + rr2_delta)
2557
2558 r = r_tmp + (rr2_l)*dr
2559
2560
2561 DO rr2 = rr2_l, rr2_r
2562 r_pow_t = 1.0_dp
2563 exp2_rsq = exp(-alpha*r*r)
2564 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2565
2566 r = r + dr
2567 END DO
2568
2569 ! C --> H
2570 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2571
2572 ! H --> HH
2573 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2574
2575
2576
2577 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2578 r1 = r1 + dr
2579 END DO
2580
2581 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2582 END SUBROUTINE
2583 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_1_exp_0 ( &
2584 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2585 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2586 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2587 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2588 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2589 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2590 r_pow_t, r_tmp, rr1_delta, rr2_delta
2591
2592 REAL(kind=dp) :: c1, c2, c3
2593 REAL(kind=dp) :: s_r_t_0, s_r_t_1
2594 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
2595 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
2596 REAL(kind=dp) :: e_0_0_0
2597
2598
2599 dr = lgth
2600 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2601
2602 s_r(:, :, :) = 0.0_dp
2603
2604 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2605
2606 h_to_c_0_0 = sqrt(alpha/pi)
2607
2608 h_to_c_0_1 = 0.0_dp
2609 h_to_c_1_1 = +2*alpha*h_to_c_0_0
2610
2611
2612 rr1_delta = (ra - rb)/dr
2613
2614 rr1_l = ceiling(-r_c(1) + rr1_delta)
2615 rr1_r = floor(r_c(1) + rr1_delta)
2616
2617 r1 = rr1_l*dr
2618
2619 alpha_e = zeta*zetb/(zeta + zetb)
2620
2621 DO rr1 = rr1_l, rr1_r
2622 s_r_t_0 = 0.0_dp
2623 s_r_t2_0 = 0.0_dp
2624 s_r_t_1 = 0.0_dp
2625 s_r_t2_1 = 0.0_dp
2626 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2627 rr2_delta = -r_tmp/dr
2628
2629 rr2_l = ceiling(-r_c(2) + rr2_delta)
2630 rr2_r = floor(r_c(2) + rr2_delta)
2631
2632 r = r_tmp + (rr2_l)*dr
2633
2634
2635 DO rr2 = rr2_l, rr2_r
2636 r_pow_t = 1.0_dp
2637 exp2_rsq = exp(-alpha*r*r)
2638 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2639 r_pow_t = r_pow_t*r
2640 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2641
2642 r = r + dr
2643 END DO
2644
2645 ! C --> H
2646 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2647 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2648 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2649
2650 ! H --> HH
2651 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2652
2653 c1 = 1.0_dp/(zeta + zetb)
2654 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2655 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2656
2657
2658 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2659 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2660 r1 = r1 + dr
2661 END DO
2662
2663 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2664 END SUBROUTINE
2665 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_2_exp_0 ( &
2666 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2667 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2668 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2669 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2670 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2671 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2672 r_pow_t, r_tmp, rr1_delta, rr2_delta
2673
2674 REAL(kind=dp) :: c1, c2, c3
2675 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
2676 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
2677 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
2678 REAL(kind=dp) :: e_0_0_0
2679
2680
2681 dr = lgth
2682 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2683
2684 s_r(:, :, :) = 0.0_dp
2685
2686 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2687
2688 h_to_c_0_0 = sqrt(alpha/pi)
2689
2690 h_to_c_0_1 = 0.0_dp
2691 h_to_c_1_1 = +2*alpha*h_to_c_0_0
2692 h_to_c_0_2 = -1*h_to_c_1_1
2693 h_to_c_1_2 = +2*alpha*h_to_c_0_1
2694 h_to_c_2_2 = +2*alpha*h_to_c_1_1
2695
2696
2697 rr1_delta = (ra - rb)/dr
2698
2699 rr1_l = ceiling(-r_c(1) + rr1_delta)
2700 rr1_r = floor(r_c(1) + rr1_delta)
2701
2702 r1 = rr1_l*dr
2703
2704 alpha_e = zeta*zetb/(zeta + zetb)
2705
2706 DO rr1 = rr1_l, rr1_r
2707 s_r_t_0 = 0.0_dp
2708 s_r_t2_0 = 0.0_dp
2709 s_r_t_1 = 0.0_dp
2710 s_r_t2_1 = 0.0_dp
2711 s_r_t_2 = 0.0_dp
2712 s_r_t2_2 = 0.0_dp
2713 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2714 rr2_delta = -r_tmp/dr
2715
2716 rr2_l = ceiling(-r_c(2) + rr2_delta)
2717 rr2_r = floor(r_c(2) + rr2_delta)
2718
2719 r = r_tmp + (rr2_l)*dr
2720
2721
2722 DO rr2 = rr2_l, rr2_r
2723 r_pow_t = 1.0_dp
2724 exp2_rsq = exp(-alpha*r*r)
2725 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2726 r_pow_t = r_pow_t*r
2727 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2728 r_pow_t = r_pow_t*r
2729 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2730
2731 r = r + dr
2732 END DO
2733
2734 ! C --> H
2735 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2736 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2737 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2738 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2739 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2740 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2741
2742 ! H --> HH
2743 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2744
2745 c1 = 1.0_dp/(zeta + zetb)
2746 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2747 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2748
2749
2750 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2751 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2752 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2753 r1 = r1 + dr
2754 END DO
2755
2756 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2757 END SUBROUTINE
2758 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_3_exp_0 ( &
2759 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2760 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2761 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2762 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2763 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2764 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2765 r_pow_t, r_tmp, rr1_delta, rr2_delta
2766
2767 REAL(kind=dp) :: c1, c2, c3
2768 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
2769 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
2770 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
2771 & h_to_c_3_3
2772 REAL(kind=dp) :: e_0_0_0
2773
2774
2775 dr = lgth
2776 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2777
2778 s_r(:, :, :) = 0.0_dp
2779
2780 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2781
2782 h_to_c_0_0 = sqrt(alpha/pi)
2783
2784 h_to_c_0_1 = 0.0_dp
2785 h_to_c_1_1 = +2*alpha*h_to_c_0_0
2786 h_to_c_0_2 = -1*h_to_c_1_1
2787 h_to_c_1_2 = +2*alpha*h_to_c_0_1
2788 h_to_c_2_2 = +2*alpha*h_to_c_1_1
2789 h_to_c_0_3 = -1*h_to_c_1_2
2790 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
2791 h_to_c_2_3 = +2*alpha*h_to_c_1_2
2792 h_to_c_3_3 = +2*alpha*h_to_c_2_2
2793
2794
2795 rr1_delta = (ra - rb)/dr
2796
2797 rr1_l = ceiling(-r_c(1) + rr1_delta)
2798 rr1_r = floor(r_c(1) + rr1_delta)
2799
2800 r1 = rr1_l*dr
2801
2802 alpha_e = zeta*zetb/(zeta + zetb)
2803
2804 DO rr1 = rr1_l, rr1_r
2805 s_r_t_0 = 0.0_dp
2806 s_r_t2_0 = 0.0_dp
2807 s_r_t_1 = 0.0_dp
2808 s_r_t2_1 = 0.0_dp
2809 s_r_t_2 = 0.0_dp
2810 s_r_t2_2 = 0.0_dp
2811 s_r_t_3 = 0.0_dp
2812 s_r_t2_3 = 0.0_dp
2813 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2814 rr2_delta = -r_tmp/dr
2815
2816 rr2_l = ceiling(-r_c(2) + rr2_delta)
2817 rr2_r = floor(r_c(2) + rr2_delta)
2818
2819 r = r_tmp + (rr2_l)*dr
2820
2821
2822 DO rr2 = rr2_l, rr2_r
2823 r_pow_t = 1.0_dp
2824 exp2_rsq = exp(-alpha*r*r)
2825 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2826 r_pow_t = r_pow_t*r
2827 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2828 r_pow_t = r_pow_t*r
2829 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2830 r_pow_t = r_pow_t*r
2831 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
2832
2833 r = r + dr
2834 END DO
2835
2836 ! C --> H
2837 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2838 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2839 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2840 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2841 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2842 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2843 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
2844 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
2845 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
2846 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
2847
2848 ! H --> HH
2849 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2850
2851 c1 = 1.0_dp/(zeta + zetb)
2852 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2853 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2854
2855
2856 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2857 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2858 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2859 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
2860 r1 = r1 + dr
2861 END DO
2862
2863 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2864 END SUBROUTINE
2865 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_4_exp_0 ( &
2866 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2867 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2868 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2869 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2870 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2871 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2872 r_pow_t, r_tmp, rr1_delta, rr2_delta
2873
2874 REAL(kind=dp) :: c1, c2, c3
2875 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
2876 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
2877 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
2878 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
2879 REAL(kind=dp) :: e_0_0_0
2880
2881
2882 dr = lgth
2883 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2884
2885 s_r(:, :, :) = 0.0_dp
2886
2887 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2888
2889 h_to_c_0_0 = sqrt(alpha/pi)
2890
2891 h_to_c_0_1 = 0.0_dp
2892 h_to_c_1_1 = +2*alpha*h_to_c_0_0
2893 h_to_c_0_2 = -1*h_to_c_1_1
2894 h_to_c_1_2 = +2*alpha*h_to_c_0_1
2895 h_to_c_2_2 = +2*alpha*h_to_c_1_1
2896 h_to_c_0_3 = -1*h_to_c_1_2
2897 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
2898 h_to_c_2_3 = +2*alpha*h_to_c_1_2
2899 h_to_c_3_3 = +2*alpha*h_to_c_2_2
2900 h_to_c_0_4 = -1*h_to_c_1_3
2901 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
2902 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
2903 h_to_c_3_4 = +2*alpha*h_to_c_2_3
2904 h_to_c_4_4 = +2*alpha*h_to_c_3_3
2905
2906
2907 rr1_delta = (ra - rb)/dr
2908
2909 rr1_l = ceiling(-r_c(1) + rr1_delta)
2910 rr1_r = floor(r_c(1) + rr1_delta)
2911
2912 r1 = rr1_l*dr
2913
2914 alpha_e = zeta*zetb/(zeta + zetb)
2915
2916 DO rr1 = rr1_l, rr1_r
2917 s_r_t_0 = 0.0_dp
2918 s_r_t2_0 = 0.0_dp
2919 s_r_t_1 = 0.0_dp
2920 s_r_t2_1 = 0.0_dp
2921 s_r_t_2 = 0.0_dp
2922 s_r_t2_2 = 0.0_dp
2923 s_r_t_3 = 0.0_dp
2924 s_r_t2_3 = 0.0_dp
2925 s_r_t_4 = 0.0_dp
2926 s_r_t2_4 = 0.0_dp
2927 r_tmp = r_offset + r1*zeta/(zeta + zetb)
2928 rr2_delta = -r_tmp/dr
2929
2930 rr2_l = ceiling(-r_c(2) + rr2_delta)
2931 rr2_r = floor(r_c(2) + rr2_delta)
2932
2933 r = r_tmp + (rr2_l)*dr
2934
2935
2936 DO rr2 = rr2_l, rr2_r
2937 r_pow_t = 1.0_dp
2938 exp2_rsq = exp(-alpha*r*r)
2939 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2940 r_pow_t = r_pow_t*r
2941 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2942 r_pow_t = r_pow_t*r
2943 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2944 r_pow_t = r_pow_t*r
2945 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
2946 r_pow_t = r_pow_t*r
2947 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
2948
2949 r = r + dr
2950 END DO
2951
2952 ! C --> H
2953 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2954 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2955 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2956 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2957 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2958 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2959 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
2960 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
2961 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
2962 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
2963 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
2964 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
2965 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
2966 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
2967 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
2968
2969 ! H --> HH
2970 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2971
2972 c1 = 1.0_dp/(zeta + zetb)
2973 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2974 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2975
2976
2977 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2978 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2979 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2980 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
2981 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
2982 r1 = r1 + dr
2983 END DO
2984
2985 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2986 END SUBROUTINE
2987 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_0_exp_0 ( &
2988 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2989 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2990 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2991 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2992 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2993 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2994 r_pow_t, r_tmp, rr1_delta, rr2_delta
2995
2996 REAL(kind=dp) :: c1, c2, c3
2997 REAL(kind=dp) :: s_r_t_0, s_r_t_1
2998 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
2999 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
3000 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3001
3002
3003 dr = lgth
3004 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3005
3006 s_r(:, :, :) = 0.0_dp
3007
3008 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3009
3010 h_to_c_0_0 = sqrt(alpha/pi)
3011
3012 h_to_c_0_1 = 0.0_dp
3013 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3014
3015
3016 rr1_delta = (ra - rb)/dr
3017
3018 rr1_l = ceiling(-r_c(1) + rr1_delta)
3019 rr1_r = floor(r_c(1) + rr1_delta)
3020
3021 r1 = rr1_l*dr
3022
3023 alpha_e = zeta*zetb/(zeta + zetb)
3024
3025 DO rr1 = rr1_l, rr1_r
3026 s_r_t_0 = 0.0_dp
3027 s_r_t2_0 = 0.0_dp
3028 s_r_t_1 = 0.0_dp
3029 s_r_t2_1 = 0.0_dp
3030 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3031 rr2_delta = -r_tmp/dr
3032
3033 rr2_l = ceiling(-r_c(2) + rr2_delta)
3034 rr2_r = floor(r_c(2) + rr2_delta)
3035
3036 r = r_tmp + (rr2_l)*dr
3037
3038
3039 DO rr2 = rr2_l, rr2_r
3040 r_pow_t = 1.0_dp
3041 exp2_rsq = exp(-alpha*r*r)
3042 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3043 r_pow_t = r_pow_t*r
3044 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3045
3046 r = r + dr
3047 END DO
3048
3049 ! C --> H
3050 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3051 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3052 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3053
3054 ! H --> HH
3055 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3056
3057 c1 = 1.0_dp/(zeta + zetb)
3058 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3059 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3060
3061 e_0_0_1 = zetb*( &
3062 +c3*e_0_0_0&
3063
3064 )
3065 e_1_0_1 = zetb*( c1*e_0_0_0 &
3066
3067
3068 )
3069
3070 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3071 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3072 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3073 r1 = r1 + dr
3074 END DO
3075
3076 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3077 END SUBROUTINE
3078 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_1_exp_0 ( &
3079 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3080 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3081 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3082 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3083 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3084 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3085 r_pow_t, r_tmp, rr1_delta, rr2_delta
3086
3087 REAL(kind=dp) :: c1, c2, c3
3088 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
3089 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
3090 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
3091 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3092
3093
3094 dr = lgth
3095 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3096
3097 s_r(:, :, :) = 0.0_dp
3098
3099 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3100
3101 h_to_c_0_0 = sqrt(alpha/pi)
3102
3103 h_to_c_0_1 = 0.0_dp
3104 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3105 h_to_c_0_2 = -1*h_to_c_1_1
3106 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3107 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3108
3109
3110 rr1_delta = (ra - rb)/dr
3111
3112 rr1_l = ceiling(-r_c(1) + rr1_delta)
3113 rr1_r = floor(r_c(1) + rr1_delta)
3114
3115 r1 = rr1_l*dr
3116
3117 alpha_e = zeta*zetb/(zeta + zetb)
3118
3119 DO rr1 = rr1_l, rr1_r
3120 s_r_t_0 = 0.0_dp
3121 s_r_t2_0 = 0.0_dp
3122 s_r_t_1 = 0.0_dp
3123 s_r_t2_1 = 0.0_dp
3124 s_r_t_2 = 0.0_dp
3125 s_r_t2_2 = 0.0_dp
3126 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3127 rr2_delta = -r_tmp/dr
3128
3129 rr2_l = ceiling(-r_c(2) + rr2_delta)
3130 rr2_r = floor(r_c(2) + rr2_delta)
3131
3132 r = r_tmp + (rr2_l)*dr
3133
3134
3135 DO rr2 = rr2_l, rr2_r
3136 r_pow_t = 1.0_dp
3137 exp2_rsq = exp(-alpha*r*r)
3138 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3139 r_pow_t = r_pow_t*r
3140 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3141 r_pow_t = r_pow_t*r
3142 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3143
3144 r = r + dr
3145 END DO
3146
3147 ! C --> H
3148 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3149 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3150 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3151 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3152 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3153 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3154
3155 ! H --> HH
3156 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3157
3158 c1 = 1.0_dp/(zeta + zetb)
3159 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3160 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3161
3162 e_0_0_1 = zetb*( &
3163 +c3*e_0_0_0&
3164
3165 )
3166 e_1_0_1 = zetb*( c1*e_0_0_0 &
3167
3168
3169 )
3170
3171 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3172 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3173 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3174 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3175 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3176 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3177 r1 = r1 + dr
3178 END DO
3179
3180 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3181 END SUBROUTINE
3182 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_2_exp_0 ( &
3183 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3184 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3185 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3186 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3187 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3188 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3189 r_pow_t, r_tmp, rr1_delta, rr2_delta
3190
3191 REAL(kind=dp) :: c1, c2, c3
3192 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
3193 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
3194 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3195 & h_to_c_3_3
3196 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3197
3198
3199 dr = lgth
3200 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3201
3202 s_r(:, :, :) = 0.0_dp
3203
3204 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3205
3206 h_to_c_0_0 = sqrt(alpha/pi)
3207
3208 h_to_c_0_1 = 0.0_dp
3209 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3210 h_to_c_0_2 = -1*h_to_c_1_1
3211 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3212 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3213 h_to_c_0_3 = -1*h_to_c_1_2
3214 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3215 h_to_c_2_3 = +2*alpha*h_to_c_1_2
3216 h_to_c_3_3 = +2*alpha*h_to_c_2_2
3217
3218
3219 rr1_delta = (ra - rb)/dr
3220
3221 rr1_l = ceiling(-r_c(1) + rr1_delta)
3222 rr1_r = floor(r_c(1) + rr1_delta)
3223
3224 r1 = rr1_l*dr
3225
3226 alpha_e = zeta*zetb/(zeta + zetb)
3227
3228 DO rr1 = rr1_l, rr1_r
3229 s_r_t_0 = 0.0_dp
3230 s_r_t2_0 = 0.0_dp
3231 s_r_t_1 = 0.0_dp
3232 s_r_t2_1 = 0.0_dp
3233 s_r_t_2 = 0.0_dp
3234 s_r_t2_2 = 0.0_dp
3235 s_r_t_3 = 0.0_dp
3236 s_r_t2_3 = 0.0_dp
3237 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3238 rr2_delta = -r_tmp/dr
3239
3240 rr2_l = ceiling(-r_c(2) + rr2_delta)
3241 rr2_r = floor(r_c(2) + rr2_delta)
3242
3243 r = r_tmp + (rr2_l)*dr
3244
3245
3246 DO rr2 = rr2_l, rr2_r
3247 r_pow_t = 1.0_dp
3248 exp2_rsq = exp(-alpha*r*r)
3249 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3250 r_pow_t = r_pow_t*r
3251 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3252 r_pow_t = r_pow_t*r
3253 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3254 r_pow_t = r_pow_t*r
3255 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3256
3257 r = r + dr
3258 END DO
3259
3260 ! C --> H
3261 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3262 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3263 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3264 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3265 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3266 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3267 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3268 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3269 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3270 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3271
3272 ! H --> HH
3273 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3274
3275 c1 = 1.0_dp/(zeta + zetb)
3276 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3277 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3278
3279 e_0_0_1 = zetb*( &
3280 +c3*e_0_0_0&
3281
3282 )
3283 e_1_0_1 = zetb*( c1*e_0_0_0 &
3284
3285
3286 )
3287
3288 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3289 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3290 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3291 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3292 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3293 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3294 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3295 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3296 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3297 r1 = r1 + dr
3298 END DO
3299
3300 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3301 END SUBROUTINE
3302 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_3_exp_0 ( &
3303 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3304 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3305 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3306 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3307 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3308 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3309 r_pow_t, r_tmp, rr1_delta, rr2_delta
3310
3311 REAL(kind=dp) :: c1, c2, c3
3312 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
3313 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
3314 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3315 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
3316 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3317
3318
3319 dr = lgth
3320 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3321
3322 s_r(:, :, :) = 0.0_dp
3323
3324 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3325
3326 h_to_c_0_0 = sqrt(alpha/pi)
3327
3328 h_to_c_0_1 = 0.0_dp
3329 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3330 h_to_c_0_2 = -1*h_to_c_1_1
3331 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3332 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3333 h_to_c_0_3 = -1*h_to_c_1_2
3334 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3335 h_to_c_2_3 = +2*alpha*h_to_c_1_2
3336 h_to_c_3_3 = +2*alpha*h_to_c_2_2
3337 h_to_c_0_4 = -1*h_to_c_1_3
3338 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3339 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3340 h_to_c_3_4 = +2*alpha*h_to_c_2_3
3341 h_to_c_4_4 = +2*alpha*h_to_c_3_3
3342
3343
3344 rr1_delta = (ra - rb)/dr
3345
3346 rr1_l = ceiling(-r_c(1) + rr1_delta)
3347 rr1_r = floor(r_c(1) + rr1_delta)
3348
3349 r1 = rr1_l*dr
3350
3351 alpha_e = zeta*zetb/(zeta + zetb)
3352
3353 DO rr1 = rr1_l, rr1_r
3354 s_r_t_0 = 0.0_dp
3355 s_r_t2_0 = 0.0_dp
3356 s_r_t_1 = 0.0_dp
3357 s_r_t2_1 = 0.0_dp
3358 s_r_t_2 = 0.0_dp
3359 s_r_t2_2 = 0.0_dp
3360 s_r_t_3 = 0.0_dp
3361 s_r_t2_3 = 0.0_dp
3362 s_r_t_4 = 0.0_dp
3363 s_r_t2_4 = 0.0_dp
3364 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3365 rr2_delta = -r_tmp/dr
3366
3367 rr2_l = ceiling(-r_c(2) + rr2_delta)
3368 rr2_r = floor(r_c(2) + rr2_delta)
3369
3370 r = r_tmp + (rr2_l)*dr
3371
3372
3373 DO rr2 = rr2_l, rr2_r
3374 r_pow_t = 1.0_dp
3375 exp2_rsq = exp(-alpha*r*r)
3376 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3377 r_pow_t = r_pow_t*r
3378 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3379 r_pow_t = r_pow_t*r
3380 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3381 r_pow_t = r_pow_t*r
3382 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3383 r_pow_t = r_pow_t*r
3384 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3385
3386 r = r + dr
3387 END DO
3388
3389 ! C --> H
3390 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3391 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3392 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3393 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3394 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3395 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3396 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3397 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3398 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3399 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3400 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3401 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3402 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3403 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3404 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3405
3406 ! H --> HH
3407 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3408
3409 c1 = 1.0_dp/(zeta + zetb)
3410 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3411 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3412
3413 e_0_0_1 = zetb*( &
3414 +c3*e_0_0_0&
3415
3416 )
3417 e_1_0_1 = zetb*( c1*e_0_0_0 &
3418
3419
3420 )
3421
3422 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3423 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3424 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3425 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3426 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3427 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3428 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3429 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3430 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3431 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
3432 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
3433 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
3434 r1 = r1 + dr
3435 END DO
3436
3437 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3438 END SUBROUTINE
3439 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_4_exp_0 ( &
3440 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3441 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3442 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3443 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3444 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3445 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3446 r_pow_t, r_tmp, rr1_delta, rr2_delta
3447
3448 REAL(kind=dp) :: c1, c2, c3
3449 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
3450 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
3451 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3452 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
3453 & h_to_c_4_5, h_to_c_5_5
3454 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3455
3456
3457 dr = lgth
3458 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3459
3460 s_r(:, :, :) = 0.0_dp
3461
3462 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3463
3464 h_to_c_0_0 = sqrt(alpha/pi)
3465
3466 h_to_c_0_1 = 0.0_dp
3467 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3468 h_to_c_0_2 = -1*h_to_c_1_1
3469 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3470 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3471 h_to_c_0_3 = -1*h_to_c_1_2
3472 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3473 h_to_c_2_3 = +2*alpha*h_to_c_1_2
3474 h_to_c_3_3 = +2*alpha*h_to_c_2_2
3475 h_to_c_0_4 = -1*h_to_c_1_3
3476 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3477 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3478 h_to_c_3_4 = +2*alpha*h_to_c_2_3
3479 h_to_c_4_4 = +2*alpha*h_to_c_3_3
3480 h_to_c_0_5 = -1*h_to_c_1_4
3481 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
3482 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
3483 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
3484 h_to_c_4_5 = +2*alpha*h_to_c_3_4
3485 h_to_c_5_5 = +2*alpha*h_to_c_4_4
3486
3487
3488 rr1_delta = (ra - rb)/dr
3489
3490 rr1_l = ceiling(-r_c(1) + rr1_delta)
3491 rr1_r = floor(r_c(1) + rr1_delta)
3492
3493 r1 = rr1_l*dr
3494
3495 alpha_e = zeta*zetb/(zeta + zetb)
3496
3497 DO rr1 = rr1_l, rr1_r
3498 s_r_t_0 = 0.0_dp
3499 s_r_t2_0 = 0.0_dp
3500 s_r_t_1 = 0.0_dp
3501 s_r_t2_1 = 0.0_dp
3502 s_r_t_2 = 0.0_dp
3503 s_r_t2_2 = 0.0_dp
3504 s_r_t_3 = 0.0_dp
3505 s_r_t2_3 = 0.0_dp
3506 s_r_t_4 = 0.0_dp
3507 s_r_t2_4 = 0.0_dp
3508 s_r_t_5 = 0.0_dp
3509 s_r_t2_5 = 0.0_dp
3510 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3511 rr2_delta = -r_tmp/dr
3512
3513 rr2_l = ceiling(-r_c(2) + rr2_delta)
3514 rr2_r = floor(r_c(2) + rr2_delta)
3515
3516 r = r_tmp + (rr2_l)*dr
3517
3518
3519 DO rr2 = rr2_l, rr2_r
3520 r_pow_t = 1.0_dp
3521 exp2_rsq = exp(-alpha*r*r)
3522 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3523 r_pow_t = r_pow_t*r
3524 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3525 r_pow_t = r_pow_t*r
3526 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3527 r_pow_t = r_pow_t*r
3528 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3529 r_pow_t = r_pow_t*r
3530 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3531 r_pow_t = r_pow_t*r
3532 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
3533
3534 r = r + dr
3535 END DO
3536
3537 ! C --> H
3538 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3539 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3540 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3541 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3542 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3543 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3544 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3545 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3546 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3547 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3548 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3549 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3550 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3551 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3552 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3553 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
3554 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
3555 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
3556 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
3557 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
3558 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
3559
3560 ! H --> HH
3561 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3562
3563 c1 = 1.0_dp/(zeta + zetb)
3564 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3565 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3566
3567 e_0_0_1 = zetb*( &
3568 +c3*e_0_0_0&
3569
3570 )
3571 e_1_0_1 = zetb*( c1*e_0_0_0 &
3572
3573
3574 )
3575
3576 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3577 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3578 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3579 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3580 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3581 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3582 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3583 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3584 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3585 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
3586 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
3587 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
3588 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
3589 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
3590 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
3591 r1 = r1 + dr
3592 END DO
3593
3594 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3595 END SUBROUTINE
3596 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_0_exp_0 ( &
3597 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3598 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3599 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3600 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3601 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3602 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3603 r_pow_t, r_tmp, rr1_delta, rr2_delta
3604
3605 REAL(kind=dp) :: c1, c2, c3
3606 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
3607 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
3608 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
3609 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3610
3611
3612 dr = lgth
3613 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3614
3615 s_r(:, :, :) = 0.0_dp
3616
3617 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3618
3619 h_to_c_0_0 = sqrt(alpha/pi)
3620
3621 h_to_c_0_1 = 0.0_dp
3622 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3623 h_to_c_0_2 = -1*h_to_c_1_1
3624 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3625 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3626
3627
3628 rr1_delta = (ra - rb)/dr
3629
3630 rr1_l = ceiling(-r_c(1) + rr1_delta)
3631 rr1_r = floor(r_c(1) + rr1_delta)
3632
3633 r1 = rr1_l*dr
3634
3635 alpha_e = zeta*zetb/(zeta + zetb)
3636
3637 DO rr1 = rr1_l, rr1_r
3638 s_r_t_0 = 0.0_dp
3639 s_r_t2_0 = 0.0_dp
3640 s_r_t_1 = 0.0_dp
3641 s_r_t2_1 = 0.0_dp
3642 s_r_t_2 = 0.0_dp
3643 s_r_t2_2 = 0.0_dp
3644 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3645 rr2_delta = -r_tmp/dr
3646
3647 rr2_l = ceiling(-r_c(2) + rr2_delta)
3648 rr2_r = floor(r_c(2) + rr2_delta)
3649
3650 r = r_tmp + (rr2_l)*dr
3651
3652
3653 DO rr2 = rr2_l, rr2_r
3654 r_pow_t = 1.0_dp
3655 exp2_rsq = exp(-alpha*r*r)
3656 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3657 r_pow_t = r_pow_t*r
3658 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3659 r_pow_t = r_pow_t*r
3660 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3661
3662 r = r + dr
3663 END DO
3664
3665 ! C --> H
3666 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3667 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3668 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3669 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3670 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3671 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3672
3673 ! H --> HH
3674 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3675
3676 c1 = 1.0_dp/(zeta + zetb)
3677 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3678 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3679
3680 e_0_0_1 = zetb*( &
3681 +c3*e_0_0_0&
3682
3683 )
3684 e_1_0_1 = zetb*( c1*e_0_0_0 &
3685
3686
3687 )
3688 e_0_0_2 = zetb*( &
3689 +c3*e_0_0_1&
3690 +2*e_1_0_1 &
3691 -2*e_0_0_0)
3692 e_1_0_2 = zetb*( c1*e_0_0_1 &
3693 +c3*e_1_0_1&
3694
3695 )
3696 e_2_0_2 = zetb*( c1*e_1_0_1 &
3697
3698
3699 )
3700
3701 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3702 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3703 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3704 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3705 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3706 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3707 r1 = r1 + dr
3708 END DO
3709
3710 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3711 END SUBROUTINE
3712 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_1_exp_0 ( &
3713 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3714 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3715 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3716 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3717 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3718 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3719 r_pow_t, r_tmp, rr1_delta, rr2_delta
3720
3721 REAL(kind=dp) :: c1, c2, c3
3722 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
3723 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
3724 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3725 & h_to_c_3_3
3726 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3727
3728
3729 dr = lgth
3730 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3731
3732 s_r(:, :, :) = 0.0_dp
3733
3734 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3735
3736 h_to_c_0_0 = sqrt(alpha/pi)
3737
3738 h_to_c_0_1 = 0.0_dp
3739 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3740 h_to_c_0_2 = -1*h_to_c_1_1
3741 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3742 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3743 h_to_c_0_3 = -1*h_to_c_1_2
3744 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3745 h_to_c_2_3 = +2*alpha*h_to_c_1_2
3746 h_to_c_3_3 = +2*alpha*h_to_c_2_2
3747
3748
3749 rr1_delta = (ra - rb)/dr
3750
3751 rr1_l = ceiling(-r_c(1) + rr1_delta)
3752 rr1_r = floor(r_c(1) + rr1_delta)
3753
3754 r1 = rr1_l*dr
3755
3756 alpha_e = zeta*zetb/(zeta + zetb)
3757
3758 DO rr1 = rr1_l, rr1_r
3759 s_r_t_0 = 0.0_dp
3760 s_r_t2_0 = 0.0_dp
3761 s_r_t_1 = 0.0_dp
3762 s_r_t2_1 = 0.0_dp
3763 s_r_t_2 = 0.0_dp
3764 s_r_t2_2 = 0.0_dp
3765 s_r_t_3 = 0.0_dp
3766 s_r_t2_3 = 0.0_dp
3767 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3768 rr2_delta = -r_tmp/dr
3769
3770 rr2_l = ceiling(-r_c(2) + rr2_delta)
3771 rr2_r = floor(r_c(2) + rr2_delta)
3772
3773 r = r_tmp + (rr2_l)*dr
3774
3775
3776 DO rr2 = rr2_l, rr2_r
3777 r_pow_t = 1.0_dp
3778 exp2_rsq = exp(-alpha*r*r)
3779 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3780 r_pow_t = r_pow_t*r
3781 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3782 r_pow_t = r_pow_t*r
3783 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3784 r_pow_t = r_pow_t*r
3785 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3786
3787 r = r + dr
3788 END DO
3789
3790 ! C --> H
3791 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3792 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3793 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3794 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3795 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3796 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3797 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3798 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3799 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3800 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3801
3802 ! H --> HH
3803 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3804
3805 c1 = 1.0_dp/(zeta + zetb)
3806 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3807 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3808
3809 e_0_0_1 = zetb*( &
3810 +c3*e_0_0_0&
3811
3812 )
3813 e_1_0_1 = zetb*( c1*e_0_0_0 &
3814
3815
3816 )
3817 e_0_0_2 = zetb*( &
3818 +c3*e_0_0_1&
3819 +2*e_1_0_1 &
3820 -2*e_0_0_0)
3821 e_1_0_2 = zetb*( c1*e_0_0_1 &
3822 +c3*e_1_0_1&
3823
3824 )
3825 e_2_0_2 = zetb*( c1*e_1_0_1 &
3826
3827
3828 )
3829
3830 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3831 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3832 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3833 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3834 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3835 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3836 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3837 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3838 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3839 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
3840 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
3841 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
3842 r1 = r1 + dr
3843 END DO
3844
3845 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3846 END SUBROUTINE
3847 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_2_exp_0 ( &
3848 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3849 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3850 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3851 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3852 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3853 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3854 r_pow_t, r_tmp, rr1_delta, rr2_delta
3855
3856 REAL(kind=dp) :: c1, c2, c3
3857 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
3858 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
3859 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3860 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
3861 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3862
3863
3864 dr = lgth
3865 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3866
3867 s_r(:, :, :) = 0.0_dp
3868
3869 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3870
3871 h_to_c_0_0 = sqrt(alpha/pi)
3872
3873 h_to_c_0_1 = 0.0_dp
3874 h_to_c_1_1 = +2*alpha*h_to_c_0_0
3875 h_to_c_0_2 = -1*h_to_c_1_1
3876 h_to_c_1_2 = +2*alpha*h_to_c_0_1
3877 h_to_c_2_2 = +2*alpha*h_to_c_1_1
3878 h_to_c_0_3 = -1*h_to_c_1_2
3879 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3880 h_to_c_2_3 = +2*alpha*h_to_c_1_2
3881 h_to_c_3_3 = +2*alpha*h_to_c_2_2
3882 h_to_c_0_4 = -1*h_to_c_1_3
3883 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3884 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3885 h_to_c_3_4 = +2*alpha*h_to_c_2_3
3886 h_to_c_4_4 = +2*alpha*h_to_c_3_3
3887
3888
3889 rr1_delta = (ra - rb)/dr
3890
3891 rr1_l = ceiling(-r_c(1) + rr1_delta)
3892 rr1_r = floor(r_c(1) + rr1_delta)
3893
3894 r1 = rr1_l*dr
3895
3896 alpha_e = zeta*zetb/(zeta + zetb)
3897
3898 DO rr1 = rr1_l, rr1_r
3899 s_r_t_0 = 0.0_dp
3900 s_r_t2_0 = 0.0_dp
3901 s_r_t_1 = 0.0_dp
3902 s_r_t2_1 = 0.0_dp
3903 s_r_t_2 = 0.0_dp
3904 s_r_t2_2 = 0.0_dp
3905 s_r_t_3 = 0.0_dp
3906 s_r_t2_3 = 0.0_dp
3907 s_r_t_4 = 0.0_dp
3908 s_r_t2_4 = 0.0_dp
3909 r_tmp = r_offset + r1*zeta/(zeta + zetb)
3910 rr2_delta = -r_tmp/dr
3911
3912 rr2_l = ceiling(-r_c(2) + rr2_delta)
3913 rr2_r = floor(r_c(2) + rr2_delta)
3914
3915 r = r_tmp + (rr2_l)*dr
3916
3917
3918 DO rr2 = rr2_l, rr2_r
3919 r_pow_t = 1.0_dp
3920 exp2_rsq = exp(-alpha*r*r)
3921 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3922 r_pow_t = r_pow_t*r
3923 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3924 r_pow_t = r_pow_t*r
3925 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3926 r_pow_t = r_pow_t*r
3927 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3928 r_pow_t = r_pow_t*r
3929 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3930
3931 r = r + dr
3932 END DO
3933
3934 ! C --> H
3935 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3936 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3937 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3938 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3939 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3940 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3941 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3942 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3943 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3944 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3945 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3946 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3947 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3948 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3949 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3950
3951 ! H --> HH
3952 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3953
3954 c1 = 1.0_dp/(zeta + zetb)
3955 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3956 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3957
3958 e_0_0_1 = zetb*( &
3959 +c3*e_0_0_0&
3960
3961 )
3962 e_1_0_1 = zetb*( c1*e_0_0_0 &
3963
3964
3965 )
3966 e_0_0_2 = zetb*( &
3967 +c3*e_0_0_1&
3968 +2*e_1_0_1 &
3969 -2*e_0_0_0)
3970 e_1_0_2 = zetb*( c1*e_0_0_1 &
3971 +c3*e_1_0_1&
3972
3973 )
3974 e_2_0_2 = zetb*( c1*e_1_0_1 &
3975
3976
3977 )
3978
3979 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3980 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3981 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3982 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3983 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3984 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3985 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3986 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3987 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3988 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
3989 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
3990 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
3991 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3992 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3993 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3994 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3995 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
3996 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
3997 r1 = r1 + dr
3998 END DO
3999
4000 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4001 END SUBROUTINE
4002 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_3_exp_0 ( &
4003 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4004 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4005 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4006 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4007 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4008 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4009 r_pow_t, r_tmp, rr1_delta, rr2_delta
4010
4011 REAL(kind=dp) :: c1, c2, c3
4012 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
4013 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
4014 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4015 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4016 & h_to_c_4_5, h_to_c_5_5
4017 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
4018
4019
4020 dr = lgth
4021 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4022
4023 s_r(:, :, :) = 0.0_dp
4024
4025 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4026
4027 h_to_c_0_0 = sqrt(alpha/pi)
4028
4029 h_to_c_0_1 = 0.0_dp
4030 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4031 h_to_c_0_2 = -1*h_to_c_1_1
4032 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4033 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4034 h_to_c_0_3 = -1*h_to_c_1_2
4035 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4036 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4037 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4038 h_to_c_0_4 = -1*h_to_c_1_3
4039 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4040 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4041 h_to_c_3_4 = +2*alpha*h_to_c_2_3
4042 h_to_c_4_4 = +2*alpha*h_to_c_3_3
4043 h_to_c_0_5 = -1*h_to_c_1_4
4044 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4045 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4046 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4047 h_to_c_4_5 = +2*alpha*h_to_c_3_4
4048 h_to_c_5_5 = +2*alpha*h_to_c_4_4
4049
4050
4051 rr1_delta = (ra - rb)/dr
4052
4053 rr1_l = ceiling(-r_c(1) + rr1_delta)
4054 rr1_r = floor(r_c(1) + rr1_delta)
4055
4056 r1 = rr1_l*dr
4057
4058 alpha_e = zeta*zetb/(zeta + zetb)
4059
4060 DO rr1 = rr1_l, rr1_r
4061 s_r_t_0 = 0.0_dp
4062 s_r_t2_0 = 0.0_dp
4063 s_r_t_1 = 0.0_dp
4064 s_r_t2_1 = 0.0_dp
4065 s_r_t_2 = 0.0_dp
4066 s_r_t2_2 = 0.0_dp
4067 s_r_t_3 = 0.0_dp
4068 s_r_t2_3 = 0.0_dp
4069 s_r_t_4 = 0.0_dp
4070 s_r_t2_4 = 0.0_dp
4071 s_r_t_5 = 0.0_dp
4072 s_r_t2_5 = 0.0_dp
4073 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4074 rr2_delta = -r_tmp/dr
4075
4076 rr2_l = ceiling(-r_c(2) + rr2_delta)
4077 rr2_r = floor(r_c(2) + rr2_delta)
4078
4079 r = r_tmp + (rr2_l)*dr
4080
4081
4082 DO rr2 = rr2_l, rr2_r
4083 r_pow_t = 1.0_dp
4084 exp2_rsq = exp(-alpha*r*r)
4085 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4086 r_pow_t = r_pow_t*r
4087 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4088 r_pow_t = r_pow_t*r
4089 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4090 r_pow_t = r_pow_t*r
4091 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4092 r_pow_t = r_pow_t*r
4093 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4094 r_pow_t = r_pow_t*r
4095 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4096
4097 r = r + dr
4098 END DO
4099
4100 ! C --> H
4101 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4102 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4103 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4104 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4105 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4106 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4107 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4108 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4109 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4110 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4111 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4112 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4113 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4114 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4115 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4116 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4117 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4118 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4119 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4120 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4121 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4122
4123 ! H --> HH
4124 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4125
4126 c1 = 1.0_dp/(zeta + zetb)
4127 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4128 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4129
4130 e_0_0_1 = zetb*( &
4131 +c3*e_0_0_0&
4132
4133 )
4134 e_1_0_1 = zetb*( c1*e_0_0_0 &
4135
4136
4137 )
4138 e_0_0_2 = zetb*( &
4139 +c3*e_0_0_1&
4140 +2*e_1_0_1 &
4141 -2*e_0_0_0)
4142 e_1_0_2 = zetb*( c1*e_0_0_1 &
4143 +c3*e_1_0_1&
4144
4145 )
4146 e_2_0_2 = zetb*( c1*e_1_0_1 &
4147
4148
4149 )
4150
4151 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4152 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4153 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4154 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4155 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4156 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4157 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4158 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4159 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4160 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4161 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4162 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4163 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4164 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4165 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4166 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4167 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4168 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4169 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
4170 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
4171 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
4172 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4173 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
4174 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
4175 r1 = r1 + dr
4176 END DO
4177
4178 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4179 END SUBROUTINE
4180 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_4_exp_0 ( &
4181 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4182 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4183 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4184 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4185 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4186 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4187 r_pow_t, r_tmp, rr1_delta, rr2_delta
4188
4189 REAL(kind=dp) :: c1, c2, c3
4190 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
4191 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
4192 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4193 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4194 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
4195 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
4196
4197
4198 dr = lgth
4199 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4200
4201 s_r(:, :, :) = 0.0_dp
4202
4203 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4204
4205 h_to_c_0_0 = sqrt(alpha/pi)
4206
4207 h_to_c_0_1 = 0.0_dp
4208 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4209 h_to_c_0_2 = -1*h_to_c_1_1
4210 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4211 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4212 h_to_c_0_3 = -1*h_to_c_1_2
4213 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4214 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4215 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4216 h_to_c_0_4 = -1*h_to_c_1_3
4217 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4218 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4219 h_to_c_3_4 = +2*alpha*h_to_c_2_3
4220 h_to_c_4_4 = +2*alpha*h_to_c_3_3
4221 h_to_c_0_5 = -1*h_to_c_1_4
4222 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4223 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4224 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4225 h_to_c_4_5 = +2*alpha*h_to_c_3_4
4226 h_to_c_5_5 = +2*alpha*h_to_c_4_4
4227 h_to_c_0_6 = -1*h_to_c_1_5
4228 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
4229 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
4230 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
4231 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
4232 h_to_c_5_6 = +2*alpha*h_to_c_4_5
4233 h_to_c_6_6 = +2*alpha*h_to_c_5_5
4234
4235
4236 rr1_delta = (ra - rb)/dr
4237
4238 rr1_l = ceiling(-r_c(1) + rr1_delta)
4239 rr1_r = floor(r_c(1) + rr1_delta)
4240
4241 r1 = rr1_l*dr
4242
4243 alpha_e = zeta*zetb/(zeta + zetb)
4244
4245 DO rr1 = rr1_l, rr1_r
4246 s_r_t_0 = 0.0_dp
4247 s_r_t2_0 = 0.0_dp
4248 s_r_t_1 = 0.0_dp
4249 s_r_t2_1 = 0.0_dp
4250 s_r_t_2 = 0.0_dp
4251 s_r_t2_2 = 0.0_dp
4252 s_r_t_3 = 0.0_dp
4253 s_r_t2_3 = 0.0_dp
4254 s_r_t_4 = 0.0_dp
4255 s_r_t2_4 = 0.0_dp
4256 s_r_t_5 = 0.0_dp
4257 s_r_t2_5 = 0.0_dp
4258 s_r_t_6 = 0.0_dp
4259 s_r_t2_6 = 0.0_dp
4260 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4261 rr2_delta = -r_tmp/dr
4262
4263 rr2_l = ceiling(-r_c(2) + rr2_delta)
4264 rr2_r = floor(r_c(2) + rr2_delta)
4265
4266 r = r_tmp + (rr2_l)*dr
4267
4268
4269 DO rr2 = rr2_l, rr2_r
4270 r_pow_t = 1.0_dp
4271 exp2_rsq = exp(-alpha*r*r)
4272 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4273 r_pow_t = r_pow_t*r
4274 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4275 r_pow_t = r_pow_t*r
4276 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4277 r_pow_t = r_pow_t*r
4278 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4279 r_pow_t = r_pow_t*r
4280 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4281 r_pow_t = r_pow_t*r
4282 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4283 r_pow_t = r_pow_t*r
4284 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
4285
4286 r = r + dr
4287 END DO
4288
4289 ! C --> H
4290 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4291 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4292 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4293 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4294 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4295 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4296 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4297 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4298 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4299 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4300 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4301 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4302 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4303 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4304 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4305 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4306 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4307 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4308 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4309 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4310 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4311 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
4312 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
4313 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
4314 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
4315 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
4316 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
4317 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
4318
4319 ! H --> HH
4320 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4321
4322 c1 = 1.0_dp/(zeta + zetb)
4323 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4324 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4325
4326 e_0_0_1 = zetb*( &
4327 +c3*e_0_0_0&
4328
4329 )
4330 e_1_0_1 = zetb*( c1*e_0_0_0 &
4331
4332
4333 )
4334 e_0_0_2 = zetb*( &
4335 +c3*e_0_0_1&
4336 +2*e_1_0_1 &
4337 -2*e_0_0_0)
4338 e_1_0_2 = zetb*( c1*e_0_0_1 &
4339 +c3*e_1_0_1&
4340
4341 )
4342 e_2_0_2 = zetb*( c1*e_1_0_1 &
4343
4344
4345 )
4346
4347 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4348 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4349 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4350 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4351 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4352 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4353 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4354 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4355 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4356 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4357 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4358 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4359 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4360 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4361 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4362 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4363 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4364 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4365 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
4366 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
4367 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
4368 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4369 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
4370 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
4371 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
4372 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
4373 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
4374 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4375 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
4376 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
4377 r1 = r1 + dr
4378 END DO
4379
4380 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4381 END SUBROUTINE
4382 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_0_exp_0 ( &
4383 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4384 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4385 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4386 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4387 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4388 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4389 r_pow_t, r_tmp, rr1_delta, rr2_delta
4390
4391 REAL(kind=dp) :: c1, c2, c3
4392 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
4393 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
4394 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4395 & h_to_c_3_3
4396 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4397
4398
4399 dr = lgth
4400 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4401
4402 s_r(:, :, :) = 0.0_dp
4403
4404 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4405
4406 h_to_c_0_0 = sqrt(alpha/pi)
4407
4408 h_to_c_0_1 = 0.0_dp
4409 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4410 h_to_c_0_2 = -1*h_to_c_1_1
4411 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4412 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4413 h_to_c_0_3 = -1*h_to_c_1_2
4414 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4415 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4416 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4417
4418
4419 rr1_delta = (ra - rb)/dr
4420
4421 rr1_l = ceiling(-r_c(1) + rr1_delta)
4422 rr1_r = floor(r_c(1) + rr1_delta)
4423
4424 r1 = rr1_l*dr
4425
4426 alpha_e = zeta*zetb/(zeta + zetb)
4427
4428 DO rr1 = rr1_l, rr1_r
4429 s_r_t_0 = 0.0_dp
4430 s_r_t2_0 = 0.0_dp
4431 s_r_t_1 = 0.0_dp
4432 s_r_t2_1 = 0.0_dp
4433 s_r_t_2 = 0.0_dp
4434 s_r_t2_2 = 0.0_dp
4435 s_r_t_3 = 0.0_dp
4436 s_r_t2_3 = 0.0_dp
4437 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4438 rr2_delta = -r_tmp/dr
4439
4440 rr2_l = ceiling(-r_c(2) + rr2_delta)
4441 rr2_r = floor(r_c(2) + rr2_delta)
4442
4443 r = r_tmp + (rr2_l)*dr
4444
4445
4446 DO rr2 = rr2_l, rr2_r
4447 r_pow_t = 1.0_dp
4448 exp2_rsq = exp(-alpha*r*r)
4449 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4450 r_pow_t = r_pow_t*r
4451 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4452 r_pow_t = r_pow_t*r
4453 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4454 r_pow_t = r_pow_t*r
4455 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4456
4457 r = r + dr
4458 END DO
4459
4460 ! C --> H
4461 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4462 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4463 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4464 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4465 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4466 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4467 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4468 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4469 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4470 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4471
4472 ! H --> HH
4473 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4474
4475 c1 = 1.0_dp/(zeta + zetb)
4476 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4477 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4478
4479 e_0_0_1 = zetb*( &
4480 +c3*e_0_0_0&
4481
4482 )
4483 e_1_0_1 = zetb*( c1*e_0_0_0 &
4484
4485
4486 )
4487 e_0_0_2 = zetb*( &
4488 +c3*e_0_0_1&
4489 +2*e_1_0_1 &
4490 -2*e_0_0_0)
4491 e_1_0_2 = zetb*( c1*e_0_0_1 &
4492 +c3*e_1_0_1&
4493
4494 )
4495 e_2_0_2 = zetb*( c1*e_1_0_1 &
4496
4497
4498 )
4499 e_0_0_3 = zetb*( &
4500 +c3*e_0_0_2&
4501 +2*e_1_0_2 &
4502 -4*e_0_0_1)
4503 e_1_0_3 = zetb*( c1*e_0_0_2 &
4504 +c3*e_1_0_2&
4505 +4*e_2_0_2 &
4506 -4*e_1_0_1)
4507 e_2_0_3 = zetb*( c1*e_1_0_2 &
4508 +c3*e_2_0_2&
4509
4510 )
4511 e_3_0_3 = zetb*( c1*e_2_0_2 &
4512
4513
4514 )
4515
4516 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4517 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4518 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4519 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4520 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4521 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4522 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4523 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4524 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4525 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4526 r1 = r1 + dr
4527 END DO
4528
4529 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4530 END SUBROUTINE
4531 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_1_exp_0 ( &
4532 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4533 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4534 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4535 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4536 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4537 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4538 r_pow_t, r_tmp, rr1_delta, rr2_delta
4539
4540 REAL(kind=dp) :: c1, c2, c3
4541 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
4542 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
4543 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4544 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
4545 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4546
4547
4548 dr = lgth
4549 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4550
4551 s_r(:, :, :) = 0.0_dp
4552
4553 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4554
4555 h_to_c_0_0 = sqrt(alpha/pi)
4556
4557 h_to_c_0_1 = 0.0_dp
4558 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4559 h_to_c_0_2 = -1*h_to_c_1_1
4560 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4561 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4562 h_to_c_0_3 = -1*h_to_c_1_2
4563 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4564 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4565 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4566 h_to_c_0_4 = -1*h_to_c_1_3
4567 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4568 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4569 h_to_c_3_4 = +2*alpha*h_to_c_2_3
4570 h_to_c_4_4 = +2*alpha*h_to_c_3_3
4571
4572
4573 rr1_delta = (ra - rb)/dr
4574
4575 rr1_l = ceiling(-r_c(1) + rr1_delta)
4576 rr1_r = floor(r_c(1) + rr1_delta)
4577
4578 r1 = rr1_l*dr
4579
4580 alpha_e = zeta*zetb/(zeta + zetb)
4581
4582 DO rr1 = rr1_l, rr1_r
4583 s_r_t_0 = 0.0_dp
4584 s_r_t2_0 = 0.0_dp
4585 s_r_t_1 = 0.0_dp
4586 s_r_t2_1 = 0.0_dp
4587 s_r_t_2 = 0.0_dp
4588 s_r_t2_2 = 0.0_dp
4589 s_r_t_3 = 0.0_dp
4590 s_r_t2_3 = 0.0_dp
4591 s_r_t_4 = 0.0_dp
4592 s_r_t2_4 = 0.0_dp
4593 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4594 rr2_delta = -r_tmp/dr
4595
4596 rr2_l = ceiling(-r_c(2) + rr2_delta)
4597 rr2_r = floor(r_c(2) + rr2_delta)
4598
4599 r = r_tmp + (rr2_l)*dr
4600
4601
4602 DO rr2 = rr2_l, rr2_r
4603 r_pow_t = 1.0_dp
4604 exp2_rsq = exp(-alpha*r*r)
4605 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4606 r_pow_t = r_pow_t*r
4607 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4608 r_pow_t = r_pow_t*r
4609 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4610 r_pow_t = r_pow_t*r
4611 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4612 r_pow_t = r_pow_t*r
4613 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4614
4615 r = r + dr
4616 END DO
4617
4618 ! C --> H
4619 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4620 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4621 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4622 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4623 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4624 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4625 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4626 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4627 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4628 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4629 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4630 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4631 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4632 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4633 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4634
4635 ! H --> HH
4636 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4637
4638 c1 = 1.0_dp/(zeta + zetb)
4639 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4640 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4641
4642 e_0_0_1 = zetb*( &
4643 +c3*e_0_0_0&
4644
4645 )
4646 e_1_0_1 = zetb*( c1*e_0_0_0 &
4647
4648
4649 )
4650 e_0_0_2 = zetb*( &
4651 +c3*e_0_0_1&
4652 +2*e_1_0_1 &
4653 -2*e_0_0_0)
4654 e_1_0_2 = zetb*( c1*e_0_0_1 &
4655 +c3*e_1_0_1&
4656
4657 )
4658 e_2_0_2 = zetb*( c1*e_1_0_1 &
4659
4660
4661 )
4662 e_0_0_3 = zetb*( &
4663 +c3*e_0_0_2&
4664 +2*e_1_0_2 &
4665 -4*e_0_0_1)
4666 e_1_0_3 = zetb*( c1*e_0_0_2 &
4667 +c3*e_1_0_2&
4668 +4*e_2_0_2 &
4669 -4*e_1_0_1)
4670 e_2_0_3 = zetb*( c1*e_1_0_2 &
4671 +c3*e_2_0_2&
4672
4673 )
4674 e_3_0_3 = zetb*( c1*e_2_0_2 &
4675
4676
4677 )
4678
4679 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4680 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4681 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4682 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4683 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4684 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4685 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4686 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4687 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4688 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4689 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4690 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4691 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4692 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4693 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4694 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4695 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
4696 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
4697 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
4698 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
4699 r1 = r1 + dr
4700 END DO
4701
4702 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4703 END SUBROUTINE
4704 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_2_exp_0 ( &
4705 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4706 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4707 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4708 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4709 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4710 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4711 r_pow_t, r_tmp, rr1_delta, rr2_delta
4712
4713 REAL(kind=dp) :: c1, c2, c3
4714 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
4715 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
4716 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4717 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4718 & h_to_c_4_5, h_to_c_5_5
4719 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4720
4721
4722 dr = lgth
4723 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4724
4725 s_r(:, :, :) = 0.0_dp
4726
4727 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4728
4729 h_to_c_0_0 = sqrt(alpha/pi)
4730
4731 h_to_c_0_1 = 0.0_dp
4732 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4733 h_to_c_0_2 = -1*h_to_c_1_1
4734 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4735 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4736 h_to_c_0_3 = -1*h_to_c_1_2
4737 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4738 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4739 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4740 h_to_c_0_4 = -1*h_to_c_1_3
4741 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4742 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4743 h_to_c_3_4 = +2*alpha*h_to_c_2_3
4744 h_to_c_4_4 = +2*alpha*h_to_c_3_3
4745 h_to_c_0_5 = -1*h_to_c_1_4
4746 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4747 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4748 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4749 h_to_c_4_5 = +2*alpha*h_to_c_3_4
4750 h_to_c_5_5 = +2*alpha*h_to_c_4_4
4751
4752
4753 rr1_delta = (ra - rb)/dr
4754
4755 rr1_l = ceiling(-r_c(1) + rr1_delta)
4756 rr1_r = floor(r_c(1) + rr1_delta)
4757
4758 r1 = rr1_l*dr
4759
4760 alpha_e = zeta*zetb/(zeta + zetb)
4761
4762 DO rr1 = rr1_l, rr1_r
4763 s_r_t_0 = 0.0_dp
4764 s_r_t2_0 = 0.0_dp
4765 s_r_t_1 = 0.0_dp
4766 s_r_t2_1 = 0.0_dp
4767 s_r_t_2 = 0.0_dp
4768 s_r_t2_2 = 0.0_dp
4769 s_r_t_3 = 0.0_dp
4770 s_r_t2_3 = 0.0_dp
4771 s_r_t_4 = 0.0_dp
4772 s_r_t2_4 = 0.0_dp
4773 s_r_t_5 = 0.0_dp
4774 s_r_t2_5 = 0.0_dp
4775 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4776 rr2_delta = -r_tmp/dr
4777
4778 rr2_l = ceiling(-r_c(2) + rr2_delta)
4779 rr2_r = floor(r_c(2) + rr2_delta)
4780
4781 r = r_tmp + (rr2_l)*dr
4782
4783
4784 DO rr2 = rr2_l, rr2_r
4785 r_pow_t = 1.0_dp
4786 exp2_rsq = exp(-alpha*r*r)
4787 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4788 r_pow_t = r_pow_t*r
4789 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4790 r_pow_t = r_pow_t*r
4791 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4792 r_pow_t = r_pow_t*r
4793 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4794 r_pow_t = r_pow_t*r
4795 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4796 r_pow_t = r_pow_t*r
4797 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4798
4799 r = r + dr
4800 END DO
4801
4802 ! C --> H
4803 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4804 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4805 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4806 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4807 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4808 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4809 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4810 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4811 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4812 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4813 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4814 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4815 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4816 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4817 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4818 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4819 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4820 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4821 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4822 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4823 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4824
4825 ! H --> HH
4826 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4827
4828 c1 = 1.0_dp/(zeta + zetb)
4829 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4830 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4831
4832 e_0_0_1 = zetb*( &
4833 +c3*e_0_0_0&
4834
4835 )
4836 e_1_0_1 = zetb*( c1*e_0_0_0 &
4837
4838
4839 )
4840 e_0_0_2 = zetb*( &
4841 +c3*e_0_0_1&
4842 +2*e_1_0_1 &
4843 -2*e_0_0_0)
4844 e_1_0_2 = zetb*( c1*e_0_0_1 &
4845 +c3*e_1_0_1&
4846
4847 )
4848 e_2_0_2 = zetb*( c1*e_1_0_1 &
4849
4850
4851 )
4852 e_0_0_3 = zetb*( &
4853 +c3*e_0_0_2&
4854 +2*e_1_0_2 &
4855 -4*e_0_0_1)
4856 e_1_0_3 = zetb*( c1*e_0_0_2 &
4857 +c3*e_1_0_2&
4858 +4*e_2_0_2 &
4859 -4*e_1_0_1)
4860 e_2_0_3 = zetb*( c1*e_1_0_2 &
4861 +c3*e_2_0_2&
4862
4863 )
4864 e_3_0_3 = zetb*( c1*e_2_0_2 &
4865
4866
4867 )
4868
4869 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4870 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4871 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4872 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4873 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4874 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4875 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4876 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4877 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4878 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4879 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4880 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4881 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4882 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4883 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4884 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4885 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
4886 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
4887 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
4888 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
4889 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4890 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4891 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4892 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4893 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4894 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4895 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4896 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4897 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
4898 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
4899 r1 = r1 + dr
4900 END DO
4901
4902 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4903 END SUBROUTINE
4904 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_3_exp_0 ( &
4905 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4906 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4907 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4908 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4909 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4910 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4911 r_pow_t, r_tmp, rr1_delta, rr2_delta
4912
4913 REAL(kind=dp) :: c1, c2, c3
4914 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
4915 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
4916 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4917 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4918 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
4919 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4920
4921
4922 dr = lgth
4923 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4924
4925 s_r(:, :, :) = 0.0_dp
4926
4927 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4928
4929 h_to_c_0_0 = sqrt(alpha/pi)
4930
4931 h_to_c_0_1 = 0.0_dp
4932 h_to_c_1_1 = +2*alpha*h_to_c_0_0
4933 h_to_c_0_2 = -1*h_to_c_1_1
4934 h_to_c_1_2 = +2*alpha*h_to_c_0_1
4935 h_to_c_2_2 = +2*alpha*h_to_c_1_1
4936 h_to_c_0_3 = -1*h_to_c_1_2
4937 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4938 h_to_c_2_3 = +2*alpha*h_to_c_1_2
4939 h_to_c_3_3 = +2*alpha*h_to_c_2_2
4940 h_to_c_0_4 = -1*h_to_c_1_3
4941 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4942 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4943 h_to_c_3_4 = +2*alpha*h_to_c_2_3
4944 h_to_c_4_4 = +2*alpha*h_to_c_3_3
4945 h_to_c_0_5 = -1*h_to_c_1_4
4946 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4947 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4948 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4949 h_to_c_4_5 = +2*alpha*h_to_c_3_4
4950 h_to_c_5_5 = +2*alpha*h_to_c_4_4
4951 h_to_c_0_6 = -1*h_to_c_1_5
4952 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
4953 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
4954 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
4955 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
4956 h_to_c_5_6 = +2*alpha*h_to_c_4_5
4957 h_to_c_6_6 = +2*alpha*h_to_c_5_5
4958
4959
4960 rr1_delta = (ra - rb)/dr
4961
4962 rr1_l = ceiling(-r_c(1) + rr1_delta)
4963 rr1_r = floor(r_c(1) + rr1_delta)
4964
4965 r1 = rr1_l*dr
4966
4967 alpha_e = zeta*zetb/(zeta + zetb)
4968
4969 DO rr1 = rr1_l, rr1_r
4970 s_r_t_0 = 0.0_dp
4971 s_r_t2_0 = 0.0_dp
4972 s_r_t_1 = 0.0_dp
4973 s_r_t2_1 = 0.0_dp
4974 s_r_t_2 = 0.0_dp
4975 s_r_t2_2 = 0.0_dp
4976 s_r_t_3 = 0.0_dp
4977 s_r_t2_3 = 0.0_dp
4978 s_r_t_4 = 0.0_dp
4979 s_r_t2_4 = 0.0_dp
4980 s_r_t_5 = 0.0_dp
4981 s_r_t2_5 = 0.0_dp
4982 s_r_t_6 = 0.0_dp
4983 s_r_t2_6 = 0.0_dp
4984 r_tmp = r_offset + r1*zeta/(zeta + zetb)
4985 rr2_delta = -r_tmp/dr
4986
4987 rr2_l = ceiling(-r_c(2) + rr2_delta)
4988 rr2_r = floor(r_c(2) + rr2_delta)
4989
4990 r = r_tmp + (rr2_l)*dr
4991
4992
4993 DO rr2 = rr2_l, rr2_r
4994 r_pow_t = 1.0_dp
4995 exp2_rsq = exp(-alpha*r*r)
4996 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4997 r_pow_t = r_pow_t*r
4998 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4999 r_pow_t = r_pow_t*r
5000 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5001 r_pow_t = r_pow_t*r
5002 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5003 r_pow_t = r_pow_t*r
5004 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5005 r_pow_t = r_pow_t*r
5006 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5007 r_pow_t = r_pow_t*r
5008 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5009
5010 r = r + dr
5011 END DO
5012
5013 ! C --> H
5014 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5015 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5016 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5017 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5018 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5019 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5020 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5021 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5022 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5023 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5024 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5025 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5026 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5027 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5028 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5029 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5030 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5031 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5032 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5033 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5034 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5035 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5036 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5037 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5038 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5039 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5040 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5041 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5042
5043 ! H --> HH
5044 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5045
5046 c1 = 1.0_dp/(zeta + zetb)
5047 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5048 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5049
5050 e_0_0_1 = zetb*( &
5051 +c3*e_0_0_0&
5052
5053 )
5054 e_1_0_1 = zetb*( c1*e_0_0_0 &
5055
5056
5057 )
5058 e_0_0_2 = zetb*( &
5059 +c3*e_0_0_1&
5060 +2*e_1_0_1 &
5061 -2*e_0_0_0)
5062 e_1_0_2 = zetb*( c1*e_0_0_1 &
5063 +c3*e_1_0_1&
5064
5065 )
5066 e_2_0_2 = zetb*( c1*e_1_0_1 &
5067
5068
5069 )
5070 e_0_0_3 = zetb*( &
5071 +c3*e_0_0_2&
5072 +2*e_1_0_2 &
5073 -4*e_0_0_1)
5074 e_1_0_3 = zetb*( c1*e_0_0_2 &
5075 +c3*e_1_0_2&
5076 +4*e_2_0_2 &
5077 -4*e_1_0_1)
5078 e_2_0_3 = zetb*( c1*e_1_0_2 &
5079 +c3*e_2_0_2&
5080
5081 )
5082 e_3_0_3 = zetb*( c1*e_2_0_2 &
5083
5084
5085 )
5086
5087 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5088 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5089 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5090 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5091 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5092 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5093 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5094 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5095 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5096 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5097 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5098 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5099 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5100 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5101 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5102 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5103 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5104 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5105 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5106 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5107 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
5108 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
5109 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
5110 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5111 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
5112 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5113 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5114 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5115 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5116 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5117 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
5118 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
5119 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
5120 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5121 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
5122 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
5123 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5124 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5125 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
5126 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
5127 r1 = r1 + dr
5128 END DO
5129
5130 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5131 END SUBROUTINE
5132 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_4_exp_0 ( &
5133 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5134 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5135 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5136 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5137 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5138 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5139 r_pow_t, r_tmp, rr1_delta, rr2_delta
5140
5141 REAL(kind=dp) :: c1, c2, c3
5142 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
5143 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
5144 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5145 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5146 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
5147 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
5148 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
5149
5150
5151 dr = lgth
5152 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5153
5154 s_r(:, :, :) = 0.0_dp
5155
5156 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5157
5158 h_to_c_0_0 = sqrt(alpha/pi)
5159
5160 h_to_c_0_1 = 0.0_dp
5161 h_to_c_1_1 = +2*alpha*h_to_c_0_0
5162 h_to_c_0_2 = -1*h_to_c_1_1
5163 h_to_c_1_2 = +2*alpha*h_to_c_0_1
5164 h_to_c_2_2 = +2*alpha*h_to_c_1_1
5165 h_to_c_0_3 = -1*h_to_c_1_2
5166 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5167 h_to_c_2_3 = +2*alpha*h_to_c_1_2
5168 h_to_c_3_3 = +2*alpha*h_to_c_2_2
5169 h_to_c_0_4 = -1*h_to_c_1_3
5170 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5171 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5172 h_to_c_3_4 = +2*alpha*h_to_c_2_3
5173 h_to_c_4_4 = +2*alpha*h_to_c_3_3
5174 h_to_c_0_5 = -1*h_to_c_1_4
5175 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5176 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5177 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5178 h_to_c_4_5 = +2*alpha*h_to_c_3_4
5179 h_to_c_5_5 = +2*alpha*h_to_c_4_4
5180 h_to_c_0_6 = -1*h_to_c_1_5
5181 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
5182 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
5183 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
5184 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
5185 h_to_c_5_6 = +2*alpha*h_to_c_4_5
5186 h_to_c_6_6 = +2*alpha*h_to_c_5_5
5187 h_to_c_0_7 = -1*h_to_c_1_6
5188 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
5189 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
5190 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
5191 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
5192 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
5193 h_to_c_6_7 = +2*alpha*h_to_c_5_6
5194 h_to_c_7_7 = +2*alpha*h_to_c_6_6
5195
5196
5197 rr1_delta = (ra - rb)/dr
5198
5199 rr1_l = ceiling(-r_c(1) + rr1_delta)
5200 rr1_r = floor(r_c(1) + rr1_delta)
5201
5202 r1 = rr1_l*dr
5203
5204 alpha_e = zeta*zetb/(zeta + zetb)
5205
5206 DO rr1 = rr1_l, rr1_r
5207 s_r_t_0 = 0.0_dp
5208 s_r_t2_0 = 0.0_dp
5209 s_r_t_1 = 0.0_dp
5210 s_r_t2_1 = 0.0_dp
5211 s_r_t_2 = 0.0_dp
5212 s_r_t2_2 = 0.0_dp
5213 s_r_t_3 = 0.0_dp
5214 s_r_t2_3 = 0.0_dp
5215 s_r_t_4 = 0.0_dp
5216 s_r_t2_4 = 0.0_dp
5217 s_r_t_5 = 0.0_dp
5218 s_r_t2_5 = 0.0_dp
5219 s_r_t_6 = 0.0_dp
5220 s_r_t2_6 = 0.0_dp
5221 s_r_t_7 = 0.0_dp
5222 s_r_t2_7 = 0.0_dp
5223 r_tmp = r_offset + r1*zeta/(zeta + zetb)
5224 rr2_delta = -r_tmp/dr
5225
5226 rr2_l = ceiling(-r_c(2) + rr2_delta)
5227 rr2_r = floor(r_c(2) + rr2_delta)
5228
5229 r = r_tmp + (rr2_l)*dr
5230
5231
5232 DO rr2 = rr2_l, rr2_r
5233 r_pow_t = 1.0_dp
5234 exp2_rsq = exp(-alpha*r*r)
5235 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5236 r_pow_t = r_pow_t*r
5237 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5238 r_pow_t = r_pow_t*r
5239 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5240 r_pow_t = r_pow_t*r
5241 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5242 r_pow_t = r_pow_t*r
5243 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5244 r_pow_t = r_pow_t*r
5245 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5246 r_pow_t = r_pow_t*r
5247 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5248 r_pow_t = r_pow_t*r
5249 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
5250
5251 r = r + dr
5252 END DO
5253
5254 ! C --> H
5255 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5256 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5257 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5258 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5259 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5260 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5261 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5262 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5263 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5264 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5265 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5266 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5267 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5268 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5269 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5270 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5271 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5272 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5273 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5274 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5275 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5276 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5277 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5278 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5279 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5280 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5281 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5282 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5283 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
5284 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
5285 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
5286 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
5287 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
5288 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
5289 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
5290 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
5291
5292 ! H --> HH
5293 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5294
5295 c1 = 1.0_dp/(zeta + zetb)
5296 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5297 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5298
5299 e_0_0_1 = zetb*( &
5300 +c3*e_0_0_0&
5301
5302 )
5303 e_1_0_1 = zetb*( c1*e_0_0_0 &
5304
5305
5306 )
5307 e_0_0_2 = zetb*( &
5308 +c3*e_0_0_1&
5309 +2*e_1_0_1 &
5310 -2*e_0_0_0)
5311 e_1_0_2 = zetb*( c1*e_0_0_1 &
5312 +c3*e_1_0_1&
5313
5314 )
5315 e_2_0_2 = zetb*( c1*e_1_0_1 &
5316
5317
5318 )
5319 e_0_0_3 = zetb*( &
5320 +c3*e_0_0_2&
5321 +2*e_1_0_2 &
5322 -4*e_0_0_1)
5323 e_1_0_3 = zetb*( c1*e_0_0_2 &
5324 +c3*e_1_0_2&
5325 +4*e_2_0_2 &
5326 -4*e_1_0_1)
5327 e_2_0_3 = zetb*( c1*e_1_0_2 &
5328 +c3*e_2_0_2&
5329
5330 )
5331 e_3_0_3 = zetb*( c1*e_2_0_2 &
5332
5333
5334 )
5335
5336 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5337 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5338 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5339 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5340 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5341 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5342 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5343 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5344 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5345 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5346 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5347 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5348 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5349 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5350 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5351 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5352 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5353 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5354 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5355 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5356 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
5357 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
5358 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
5359 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5360 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
5361 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5362 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5363 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5364 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5365 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5366 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
5367 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
5368 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
5369 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5370 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
5371 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
5372 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5373 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5374 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
5375 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
5376 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
5377 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
5378 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
5379 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5380 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
5381 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
5382 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5383 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5384 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
5385 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
5386 r1 = r1 + dr
5387 END DO
5388
5389 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5390 END SUBROUTINE
5391 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_0_exp_0 ( &
5392 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5393 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5394 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5395 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5396 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5397 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5398 r_pow_t, r_tmp, rr1_delta, rr2_delta
5399
5400 REAL(kind=dp) :: c1, c2, c3
5401 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
5402 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
5403 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5404 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
5405 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5406 & e_2_0_4, e_3_0_4, e_4_0_4
5407
5408
5409 dr = lgth
5410 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5411
5412 s_r(:, :, :) = 0.0_dp
5413
5414 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5415
5416 h_to_c_0_0 = sqrt(alpha/pi)
5417
5418 h_to_c_0_1 = 0.0_dp
5419 h_to_c_1_1 = +2*alpha*h_to_c_0_0
5420 h_to_c_0_2 = -1*h_to_c_1_1
5421 h_to_c_1_2 = +2*alpha*h_to_c_0_1
5422 h_to_c_2_2 = +2*alpha*h_to_c_1_1
5423 h_to_c_0_3 = -1*h_to_c_1_2
5424 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5425 h_to_c_2_3 = +2*alpha*h_to_c_1_2
5426 h_to_c_3_3 = +2*alpha*h_to_c_2_2
5427 h_to_c_0_4 = -1*h_to_c_1_3
5428 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5429 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5430 h_to_c_3_4 = +2*alpha*h_to_c_2_3
5431 h_to_c_4_4 = +2*alpha*h_to_c_3_3
5432
5433
5434 rr1_delta = (ra - rb)/dr
5435
5436 rr1_l = ceiling(-r_c(1) + rr1_delta)
5437 rr1_r = floor(r_c(1) + rr1_delta)
5438
5439 r1 = rr1_l*dr
5440
5441 alpha_e = zeta*zetb/(zeta + zetb)
5442
5443 DO rr1 = rr1_l, rr1_r
5444 s_r_t_0 = 0.0_dp
5445 s_r_t2_0 = 0.0_dp
5446 s_r_t_1 = 0.0_dp
5447 s_r_t2_1 = 0.0_dp
5448 s_r_t_2 = 0.0_dp
5449 s_r_t2_2 = 0.0_dp
5450 s_r_t_3 = 0.0_dp
5451 s_r_t2_3 = 0.0_dp
5452 s_r_t_4 = 0.0_dp
5453 s_r_t2_4 = 0.0_dp
5454 r_tmp = r_offset + r1*zeta/(zeta + zetb)
5455 rr2_delta = -r_tmp/dr
5456
5457 rr2_l = ceiling(-r_c(2) + rr2_delta)
5458 rr2_r = floor(r_c(2) + rr2_delta)
5459
5460 r = r_tmp + (rr2_l)*dr
5461
5462
5463 DO rr2 = rr2_l, rr2_r
5464 r_pow_t = 1.0_dp
5465 exp2_rsq = exp(-alpha*r*r)
5466 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5467 r_pow_t = r_pow_t*r
5468 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5469 r_pow_t = r_pow_t*r
5470 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5471 r_pow_t = r_pow_t*r
5472 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5473 r_pow_t = r_pow_t*r
5474 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5475
5476 r = r + dr
5477 END DO
5478
5479 ! C --> H
5480 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5481 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5482 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5483 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5484 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5485 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5486 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5487 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5488 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5489 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5490 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5491 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5492 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5493 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5494 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5495
5496 ! H --> HH
5497 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5498
5499 c1 = 1.0_dp/(zeta + zetb)
5500 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5501 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5502
5503 e_0_0_1 = zetb*( &
5504 +c3*e_0_0_0&
5505
5506 )
5507 e_1_0_1 = zetb*( c1*e_0_0_0 &
5508
5509
5510 )
5511 e_0_0_2 = zetb*( &
5512 +c3*e_0_0_1&
5513 +2*e_1_0_1 &
5514 -2*e_0_0_0)
5515 e_1_0_2 = zetb*( c1*e_0_0_1 &
5516 +c3*e_1_0_1&
5517
5518 )
5519 e_2_0_2 = zetb*( c1*e_1_0_1 &
5520
5521
5522 )
5523 e_0_0_3 = zetb*( &
5524 +c3*e_0_0_2&
5525 +2*e_1_0_2 &
5526 -4*e_0_0_1)
5527 e_1_0_3 = zetb*( c1*e_0_0_2 &
5528 +c3*e_1_0_2&
5529 +4*e_2_0_2 &
5530 -4*e_1_0_1)
5531 e_2_0_3 = zetb*( c1*e_1_0_2 &
5532 +c3*e_2_0_2&
5533
5534 )
5535 e_3_0_3 = zetb*( c1*e_2_0_2 &
5536
5537
5538 )
5539 e_0_0_4 = zetb*( &
5540 +c3*e_0_0_3&
5541 +2*e_1_0_3 &
5542 -6*e_0_0_2)
5543 e_1_0_4 = zetb*( c1*e_0_0_3 &
5544 +c3*e_1_0_3&
5545 +4*e_2_0_3 &
5546 -6*e_1_0_2)
5547 e_2_0_4 = zetb*( c1*e_1_0_3 &
5548 +c3*e_2_0_3&
5549 +6*e_3_0_3 &
5550 -6*e_2_0_2)
5551 e_3_0_4 = zetb*( c1*e_2_0_3 &
5552 +c3*e_3_0_3&
5553
5554 )
5555 e_4_0_4 = zetb*( c1*e_3_0_3 &
5556
5557
5558 )
5559
5560 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5561 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5562 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5563 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5564 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5565 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5566 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5567 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5568 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5569 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5570 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
5571 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
5572 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
5573 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
5574 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
5575 r1 = r1 + dr
5576 END DO
5577
5578 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5579 END SUBROUTINE
5580 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_1_exp_0 ( &
5581 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5582 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5583 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5584 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5585 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5586 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5587 r_pow_t, r_tmp, rr1_delta, rr2_delta
5588
5589 REAL(kind=dp) :: c1, c2, c3
5590 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
5591 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
5592 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5593 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5594 & h_to_c_4_5, h_to_c_5_5
5595 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5596 & e_2_0_4, e_3_0_4, e_4_0_4
5597
5598
5599 dr = lgth
5600 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5601
5602 s_r(:, :, :) = 0.0_dp
5603
5604 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5605
5606 h_to_c_0_0 = sqrt(alpha/pi)
5607
5608 h_to_c_0_1 = 0.0_dp
5609 h_to_c_1_1 = +2*alpha*h_to_c_0_0
5610 h_to_c_0_2 = -1*h_to_c_1_1
5611 h_to_c_1_2 = +2*alpha*h_to_c_0_1
5612 h_to_c_2_2 = +2*alpha*h_to_c_1_1
5613 h_to_c_0_3 = -1*h_to_c_1_2
5614 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5615 h_to_c_2_3 = +2*alpha*h_to_c_1_2
5616 h_to_c_3_3 = +2*alpha*h_to_c_2_2
5617 h_to_c_0_4 = -1*h_to_c_1_3
5618 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5619 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5620 h_to_c_3_4 = +2*alpha*h_to_c_2_3
5621 h_to_c_4_4 = +2*alpha*h_to_c_3_3
5622 h_to_c_0_5 = -1*h_to_c_1_4
5623 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5624 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5625 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5626 h_to_c_4_5 = +2*alpha*h_to_c_3_4
5627 h_to_c_5_5 = +2*alpha*h_to_c_4_4
5628
5629
5630 rr1_delta = (ra - rb)/dr
5631
5632 rr1_l = ceiling(-r_c(1) + rr1_delta)
5633 rr1_r = floor(r_c(1) + rr1_delta)
5634
5635 r1 = rr1_l*dr
5636
5637 alpha_e = zeta*zetb/(zeta + zetb)
5638
5639 DO rr1 = rr1_l, rr1_r
5640 s_r_t_0 = 0.0_dp
5641 s_r_t2_0 = 0.0_dp
5642 s_r_t_1 = 0.0_dp
5643 s_r_t2_1 = 0.0_dp
5644 s_r_t_2 = 0.0_dp
5645 s_r_t2_2 = 0.0_dp
5646 s_r_t_3 = 0.0_dp
5647 s_r_t2_3 = 0.0_dp
5648 s_r_t_4 = 0.0_dp
5649 s_r_t2_4 = 0.0_dp
5650 s_r_t_5 = 0.0_dp
5651 s_r_t2_5 = 0.0_dp
5652 r_tmp = r_offset + r1*zeta/(zeta + zetb)
5653 rr2_delta = -r_tmp/dr
5654
5655 rr2_l = ceiling(-r_c(2) + rr2_delta)
5656 rr2_r = floor(r_c(2) + rr2_delta)
5657
5658 r = r_tmp + (rr2_l)*dr
5659
5660
5661 DO rr2 = rr2_l, rr2_r
5662 r_pow_t = 1.0_dp
5663 exp2_rsq = exp(-alpha*r*r)
5664 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5665 r_pow_t = r_pow_t*r
5666 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5667 r_pow_t = r_pow_t*r
5668 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5669 r_pow_t = r_pow_t*r
5670 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5671 r_pow_t = r_pow_t*r
5672 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5673 r_pow_t = r_pow_t*r
5674 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5675
5676 r = r + dr
5677 END DO
5678
5679 ! C --> H
5680 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5681 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5682 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5683 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5684 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5685 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5686 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5687 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5688 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5689 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5690 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5691 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5692 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5693 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5694 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5695 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5696 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5697 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5698 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5699 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5700 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5701
5702 ! H --> HH
5703 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5704
5705 c1 = 1.0_dp/(zeta + zetb)
5706 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5707 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5708
5709 e_0_0_1 = zetb*( &
5710 +c3*e_0_0_0&
5711
5712 )
5713 e_1_0_1 = zetb*( c1*e_0_0_0 &
5714
5715
5716 )
5717 e_0_0_2 = zetb*( &
5718 +c3*e_0_0_1&
5719 +2*e_1_0_1 &
5720 -2*e_0_0_0)
5721 e_1_0_2 = zetb*( c1*e_0_0_1 &
5722 +c3*e_1_0_1&
5723
5724 )
5725 e_2_0_2 = zetb*( c1*e_1_0_1 &
5726
5727
5728 )
5729 e_0_0_3 = zetb*( &
5730 +c3*e_0_0_2&
5731 +2*e_1_0_2 &
5732 -4*e_0_0_1)
5733 e_1_0_3 = zetb*( c1*e_0_0_2 &
5734 +c3*e_1_0_2&
5735 +4*e_2_0_2 &
5736 -4*e_1_0_1)
5737 e_2_0_3 = zetb*( c1*e_1_0_2 &
5738 +c3*e_2_0_2&
5739
5740 )
5741 e_3_0_3 = zetb*( c1*e_2_0_2 &
5742
5743
5744 )
5745 e_0_0_4 = zetb*( &
5746 +c3*e_0_0_3&
5747 +2*e_1_0_3 &
5748 -6*e_0_0_2)
5749 e_1_0_4 = zetb*( c1*e_0_0_3 &
5750 +c3*e_1_0_3&
5751 +4*e_2_0_3 &
5752 -6*e_1_0_2)
5753 e_2_0_4 = zetb*( c1*e_1_0_3 &
5754 +c3*e_2_0_3&
5755 +6*e_3_0_3 &
5756 -6*e_2_0_2)
5757 e_3_0_4 = zetb*( c1*e_2_0_3 &
5758 +c3*e_3_0_3&
5759
5760 )
5761 e_4_0_4 = zetb*( c1*e_3_0_3 &
5762
5763
5764 )
5765
5766 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5767 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5768 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5769 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5770 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5771 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5772 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5773 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5774 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5775 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5776 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
5777 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
5778 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
5779 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
5780 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
5781 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5782 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5783 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5784 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5785 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5786 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5787 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5788 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5789 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5790 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5791 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
5792 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
5793 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
5794 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
5795 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
5796 r1 = r1 + dr
5797 END DO
5798
5799 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5800 END SUBROUTINE
5801 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_2_exp_0 ( &
5802 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5803 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5804 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5805 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5806 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5807 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5808 r_pow_t, r_tmp, rr1_delta, rr2_delta
5809
5810 REAL(kind=dp) :: c1, c2, c3
5811 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
5812 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
5813 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5814 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5815 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
5816 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5817 & e_2_0_4, e_3_0_4, e_4_0_4
5818
5819
5820 dr = lgth
5821 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5822
5823 s_r(:, :, :) = 0.0_dp
5824
5825 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5826
5827 h_to_c_0_0 = sqrt(alpha/pi)
5828
5829 h_to_c_0_1 = 0.0_dp
5830 h_to_c_1_1 = +2*alpha*h_to_c_0_0
5831 h_to_c_0_2 = -1*h_to_c_1_1
5832 h_to_c_1_2 = +2*alpha*h_to_c_0_1
5833 h_to_c_2_2 = +2*alpha*h_to_c_1_1
5834 h_to_c_0_3 = -1*h_to_c_1_2
5835 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5836 h_to_c_2_3 = +2*alpha*h_to_c_1_2
5837 h_to_c_3_3 = +2*alpha*h_to_c_2_2
5838 h_to_c_0_4 = -1*h_to_c_1_3
5839 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5840 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5841 h_to_c_3_4 = +2*alpha*h_to_c_2_3
5842 h_to_c_4_4 = +2*alpha*h_to_c_3_3
5843 h_to_c_0_5 = -1*h_to_c_1_4
5844 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5845 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5846 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5847 h_to_c_4_5 = +2*alpha*h_to_c_3_4
5848 h_to_c_5_5 = +2*alpha*h_to_c_4_4
5849 h_to_c_0_6 = -1*h_to_c_1_5
5850 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
5851 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
5852 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
5853 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
5854 h_to_c_5_6 = +2*alpha*h_to_c_4_5
5855 h_to_c_6_6 = +2*alpha*h_to_c_5_5
5856
5857
5858 rr1_delta = (ra - rb)/dr
5859
5860 rr1_l = ceiling(-r_c(1) + rr1_delta)
5861 rr1_r = floor(r_c(1) + rr1_delta)
5862
5863 r1 = rr1_l*dr
5864
5865 alpha_e = zeta*zetb/(zeta + zetb)
5866
5867 DO rr1 = rr1_l, rr1_r
5868 s_r_t_0 = 0.0_dp
5869 s_r_t2_0 = 0.0_dp
5870 s_r_t_1 = 0.0_dp
5871 s_r_t2_1 = 0.0_dp
5872 s_r_t_2 = 0.0_dp
5873 s_r_t2_2 = 0.0_dp
5874 s_r_t_3 = 0.0_dp
5875 s_r_t2_3 = 0.0_dp
5876 s_r_t_4 = 0.0_dp
5877 s_r_t2_4 = 0.0_dp
5878 s_r_t_5 = 0.0_dp
5879 s_r_t2_5 = 0.0_dp
5880 s_r_t_6 = 0.0_dp
5881 s_r_t2_6 = 0.0_dp
5882 r_tmp = r_offset + r1*zeta/(zeta + zetb)
5883 rr2_delta = -r_tmp/dr
5884
5885 rr2_l = ceiling(-r_c(2) + rr2_delta)
5886 rr2_r = floor(r_c(2) + rr2_delta)
5887
5888 r = r_tmp + (rr2_l)*dr
5889
5890
5891 DO rr2 = rr2_l, rr2_r
5892 r_pow_t = 1.0_dp
5893 exp2_rsq = exp(-alpha*r*r)
5894 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5895 r_pow_t = r_pow_t*r
5896 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5897 r_pow_t = r_pow_t*r
5898 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5899 r_pow_t = r_pow_t*r
5900 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5901 r_pow_t = r_pow_t*r
5902 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5903 r_pow_t = r_pow_t*r
5904 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5905 r_pow_t = r_pow_t*r
5906 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5907
5908 r = r + dr
5909 END DO
5910
5911 ! C --> H
5912 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5913 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5914 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5915 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5916 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5917 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5918 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5919 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5920 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5921 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5922 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5923 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5924 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5925 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5926 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5927 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5928 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5929 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5930 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5931 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5932 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5933 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5934 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5935 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5936 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5937 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5938 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5939 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5940
5941 ! H --> HH
5942 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5943
5944 c1 = 1.0_dp/(zeta + zetb)
5945 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5946 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5947
5948 e_0_0_1 = zetb*( &
5949 +c3*e_0_0_0&
5950
5951 )
5952 e_1_0_1 = zetb*( c1*e_0_0_0 &
5953
5954
5955 )
5956 e_0_0_2 = zetb*( &
5957 +c3*e_0_0_1&
5958 +2*e_1_0_1 &
5959 -2*e_0_0_0)
5960 e_1_0_2 = zetb*( c1*e_0_0_1 &
5961 +c3*e_1_0_1&
5962
5963 )
5964 e_2_0_2 = zetb*( c1*e_1_0_1 &
5965
5966
5967 )
5968 e_0_0_3 = zetb*( &
5969 +c3*e_0_0_2&
5970 +2*e_1_0_2 &
5971 -4*e_0_0_1)
5972 e_1_0_3 = zetb*( c1*e_0_0_2 &
5973 +c3*e_1_0_2&
5974 +4*e_2_0_2 &
5975 -4*e_1_0_1)
5976 e_2_0_3 = zetb*( c1*e_1_0_2 &
5977 +c3*e_2_0_2&
5978
5979 )
5980 e_3_0_3 = zetb*( c1*e_2_0_2 &
5981
5982
5983 )
5984 e_0_0_4 = zetb*( &
5985 +c3*e_0_0_3&
5986 +2*e_1_0_3 &
5987 -6*e_0_0_2)
5988 e_1_0_4 = zetb*( c1*e_0_0_3 &
5989 +c3*e_1_0_3&
5990 +4*e_2_0_3 &
5991 -6*e_1_0_2)
5992 e_2_0_4 = zetb*( c1*e_1_0_3 &
5993 +c3*e_2_0_3&
5994 +6*e_3_0_3 &
5995 -6*e_2_0_2)
5996 e_3_0_4 = zetb*( c1*e_2_0_3 &
5997 +c3*e_3_0_3&
5998
5999 )
6000 e_4_0_4 = zetb*( c1*e_3_0_3 &
6001
6002
6003 )
6004
6005 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6006 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6007 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6008 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6009 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6010 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6011 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6012 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6013 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6014 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6015 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6016 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6017 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6018 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6019 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6020 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6021 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6022 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6023 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6024 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6025 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6026 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6027 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6028 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6029 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6030 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6031 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6032 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6033 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6034 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6035 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6036 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6037 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6038 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6039 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6040 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6041 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6042 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6043 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6044 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6045 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6046 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6047 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6048 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6049 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6050 r1 = r1 + dr
6051 END DO
6052
6053 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6054 END SUBROUTINE
6055 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_3_exp_0 ( &
6056 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6057 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6058 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6059 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6060 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6061 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6062 r_pow_t, r_tmp, rr1_delta, rr2_delta
6063
6064 REAL(kind=dp) :: c1, c2, c3
6065 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
6066 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
6067 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6068 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
6069 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
6070 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
6071 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
6072 & e_2_0_4, e_3_0_4, e_4_0_4
6073
6074
6075 dr = lgth
6076 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6077
6078 s_r(:, :, :) = 0.0_dp
6079
6080 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6081
6082 h_to_c_0_0 = sqrt(alpha/pi)
6083
6084 h_to_c_0_1 = 0.0_dp
6085 h_to_c_1_1 = +2*alpha*h_to_c_0_0
6086 h_to_c_0_2 = -1*h_to_c_1_1
6087 h_to_c_1_2 = +2*alpha*h_to_c_0_1
6088 h_to_c_2_2 = +2*alpha*h_to_c_1_1
6089 h_to_c_0_3 = -1*h_to_c_1_2
6090 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6091 h_to_c_2_3 = +2*alpha*h_to_c_1_2
6092 h_to_c_3_3 = +2*alpha*h_to_c_2_2
6093 h_to_c_0_4 = -1*h_to_c_1_3
6094 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
6095 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
6096 h_to_c_3_4 = +2*alpha*h_to_c_2_3
6097 h_to_c_4_4 = +2*alpha*h_to_c_3_3
6098 h_to_c_0_5 = -1*h_to_c_1_4
6099 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
6100 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
6101 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
6102 h_to_c_4_5 = +2*alpha*h_to_c_3_4
6103 h_to_c_5_5 = +2*alpha*h_to_c_4_4
6104 h_to_c_0_6 = -1*h_to_c_1_5
6105 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
6106 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
6107 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
6108 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
6109 h_to_c_5_6 = +2*alpha*h_to_c_4_5
6110 h_to_c_6_6 = +2*alpha*h_to_c_5_5
6111 h_to_c_0_7 = -1*h_to_c_1_6
6112 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
6113 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
6114 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
6115 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
6116 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
6117 h_to_c_6_7 = +2*alpha*h_to_c_5_6
6118 h_to_c_7_7 = +2*alpha*h_to_c_6_6
6119
6120
6121 rr1_delta = (ra - rb)/dr
6122
6123 rr1_l = ceiling(-r_c(1) + rr1_delta)
6124 rr1_r = floor(r_c(1) + rr1_delta)
6125
6126 r1 = rr1_l*dr
6127
6128 alpha_e = zeta*zetb/(zeta + zetb)
6129
6130 DO rr1 = rr1_l, rr1_r
6131 s_r_t_0 = 0.0_dp
6132 s_r_t2_0 = 0.0_dp
6133 s_r_t_1 = 0.0_dp
6134 s_r_t2_1 = 0.0_dp
6135 s_r_t_2 = 0.0_dp
6136 s_r_t2_2 = 0.0_dp
6137 s_r_t_3 = 0.0_dp
6138 s_r_t2_3 = 0.0_dp
6139 s_r_t_4 = 0.0_dp
6140 s_r_t2_4 = 0.0_dp
6141 s_r_t_5 = 0.0_dp
6142 s_r_t2_5 = 0.0_dp
6143 s_r_t_6 = 0.0_dp
6144 s_r_t2_6 = 0.0_dp
6145 s_r_t_7 = 0.0_dp
6146 s_r_t2_7 = 0.0_dp
6147 r_tmp = r_offset + r1*zeta/(zeta + zetb)
6148 rr2_delta = -r_tmp/dr
6149
6150 rr2_l = ceiling(-r_c(2) + rr2_delta)
6151 rr2_r = floor(r_c(2) + rr2_delta)
6152
6153 r = r_tmp + (rr2_l)*dr
6154
6155
6156 DO rr2 = rr2_l, rr2_r
6157 r_pow_t = 1.0_dp
6158 exp2_rsq = exp(-alpha*r*r)
6159 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6160 r_pow_t = r_pow_t*r
6161 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6162 r_pow_t = r_pow_t*r
6163 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6164 r_pow_t = r_pow_t*r
6165 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6166 r_pow_t = r_pow_t*r
6167 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
6168 r_pow_t = r_pow_t*r
6169 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
6170 r_pow_t = r_pow_t*r
6171 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
6172 r_pow_t = r_pow_t*r
6173 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
6174
6175 r = r + dr
6176 END DO
6177
6178 ! C --> H
6179 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6180 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6181 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6182 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6183 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6184 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6185 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6186 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6187 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6188 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6189 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
6190 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
6191 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
6192 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
6193 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
6194 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
6195 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
6196 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
6197 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
6198 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
6199 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
6200 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
6201 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
6202 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
6203 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
6204 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
6205 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
6206 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
6207 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
6208 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
6209 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
6210 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
6211 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
6212 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
6213 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
6214 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
6215
6216 ! H --> HH
6217 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6218
6219 c1 = 1.0_dp/(zeta + zetb)
6220 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6221 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6222
6223 e_0_0_1 = zetb*( &
6224 +c3*e_0_0_0&
6225
6226 )
6227 e_1_0_1 = zetb*( c1*e_0_0_0 &
6228
6229
6230 )
6231 e_0_0_2 = zetb*( &
6232 +c3*e_0_0_1&
6233 +2*e_1_0_1 &
6234 -2*e_0_0_0)
6235 e_1_0_2 = zetb*( c1*e_0_0_1 &
6236 +c3*e_1_0_1&
6237
6238 )
6239 e_2_0_2 = zetb*( c1*e_1_0_1 &
6240
6241
6242 )
6243 e_0_0_3 = zetb*( &
6244 +c3*e_0_0_2&
6245 +2*e_1_0_2 &
6246 -4*e_0_0_1)
6247 e_1_0_3 = zetb*( c1*e_0_0_2 &
6248 +c3*e_1_0_2&
6249 +4*e_2_0_2 &
6250 -4*e_1_0_1)
6251 e_2_0_3 = zetb*( c1*e_1_0_2 &
6252 +c3*e_2_0_2&
6253
6254 )
6255 e_3_0_3 = zetb*( c1*e_2_0_2 &
6256
6257
6258 )
6259 e_0_0_4 = zetb*( &
6260 +c3*e_0_0_3&
6261 +2*e_1_0_3 &
6262 -6*e_0_0_2)
6263 e_1_0_4 = zetb*( c1*e_0_0_3 &
6264 +c3*e_1_0_3&
6265 +4*e_2_0_3 &
6266 -6*e_1_0_2)
6267 e_2_0_4 = zetb*( c1*e_1_0_3 &
6268 +c3*e_2_0_3&
6269 +6*e_3_0_3 &
6270 -6*e_2_0_2)
6271 e_3_0_4 = zetb*( c1*e_2_0_3 &
6272 +c3*e_3_0_3&
6273
6274 )
6275 e_4_0_4 = zetb*( c1*e_3_0_3 &
6276
6277
6278 )
6279
6280 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6281 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6282 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6283 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6284 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6285 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6286 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6287 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6288 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6289 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6290 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6291 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6292 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6293 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6294 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6295 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6296 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6297 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6298 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6299 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6300 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6301 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6302 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6303 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6304 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6305 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6306 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6307 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6308 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6309 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6310 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6311 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6312 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6313 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6314 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6315 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6316 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6317 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6318 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6319 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6320 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6321 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6322 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6323 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6324 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6325 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
6326 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
6327 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
6328 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6329 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
6330 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
6331 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6332 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6333 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
6334 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
6335 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6336 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6337 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6338 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
6339 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
6340 r1 = r1 + dr
6341 END DO
6342
6343 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6344 END SUBROUTINE
6345 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_4_exp_0 ( &
6346 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6347 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6348 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6349 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6350 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6351 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6352 r_pow_t, r_tmp, rr1_delta, rr2_delta
6353
6354 REAL(kind=dp) :: c1, c2, c3
6355 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
6356 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
6357 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6358 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
6359 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
6360 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
6361 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
6362 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
6363 & e_2_0_4, e_3_0_4, e_4_0_4
6364
6365
6366 dr = lgth
6367 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6368
6369 s_r(:, :, :) = 0.0_dp
6370
6371 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6372
6373 h_to_c_0_0 = sqrt(alpha/pi)
6374
6375 h_to_c_0_1 = 0.0_dp
6376 h_to_c_1_1 = +2*alpha*h_to_c_0_0
6377 h_to_c_0_2 = -1*h_to_c_1_1
6378 h_to_c_1_2 = +2*alpha*h_to_c_0_1
6379 h_to_c_2_2 = +2*alpha*h_to_c_1_1
6380 h_to_c_0_3 = -1*h_to_c_1_2
6381 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6382 h_to_c_2_3 = +2*alpha*h_to_c_1_2
6383 h_to_c_3_3 = +2*alpha*h_to_c_2_2
6384 h_to_c_0_4 = -1*h_to_c_1_3
6385 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
6386 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
6387 h_to_c_3_4 = +2*alpha*h_to_c_2_3
6388 h_to_c_4_4 = +2*alpha*h_to_c_3_3
6389 h_to_c_0_5 = -1*h_to_c_1_4
6390 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
6391 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
6392 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
6393 h_to_c_4_5 = +2*alpha*h_to_c_3_4
6394 h_to_c_5_5 = +2*alpha*h_to_c_4_4
6395 h_to_c_0_6 = -1*h_to_c_1_5
6396 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
6397 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
6398 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
6399 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
6400 h_to_c_5_6 = +2*alpha*h_to_c_4_5
6401 h_to_c_6_6 = +2*alpha*h_to_c_5_5
6402 h_to_c_0_7 = -1*h_to_c_1_6
6403 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
6404 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
6405 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
6406 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
6407 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
6408 h_to_c_6_7 = +2*alpha*h_to_c_5_6
6409 h_to_c_7_7 = +2*alpha*h_to_c_6_6
6410 h_to_c_0_8 = -1*h_to_c_1_7
6411 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
6412 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
6413 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
6414 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
6415 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
6416 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
6417 h_to_c_7_8 = +2*alpha*h_to_c_6_7
6418 h_to_c_8_8 = +2*alpha*h_to_c_7_7
6419
6420
6421 rr1_delta = (ra - rb)/dr
6422
6423 rr1_l = ceiling(-r_c(1) + rr1_delta)
6424 rr1_r = floor(r_c(1) + rr1_delta)
6425
6426 r1 = rr1_l*dr
6427
6428 alpha_e = zeta*zetb/(zeta + zetb)
6429
6430 DO rr1 = rr1_l, rr1_r
6431 s_r_t_0 = 0.0_dp
6432 s_r_t2_0 = 0.0_dp
6433 s_r_t_1 = 0.0_dp
6434 s_r_t2_1 = 0.0_dp
6435 s_r_t_2 = 0.0_dp
6436 s_r_t2_2 = 0.0_dp
6437 s_r_t_3 = 0.0_dp
6438 s_r_t2_3 = 0.0_dp
6439 s_r_t_4 = 0.0_dp
6440 s_r_t2_4 = 0.0_dp
6441 s_r_t_5 = 0.0_dp
6442 s_r_t2_5 = 0.0_dp
6443 s_r_t_6 = 0.0_dp
6444 s_r_t2_6 = 0.0_dp
6445 s_r_t_7 = 0.0_dp
6446 s_r_t2_7 = 0.0_dp
6447 s_r_t_8 = 0.0_dp
6448 s_r_t2_8 = 0.0_dp
6449 r_tmp = r_offset + r1*zeta/(zeta + zetb)
6450 rr2_delta = -r_tmp/dr
6451
6452 rr2_l = ceiling(-r_c(2) + rr2_delta)
6453 rr2_r = floor(r_c(2) + rr2_delta)
6454
6455 r = r_tmp + (rr2_l)*dr
6456
6457
6458 DO rr2 = rr2_l, rr2_r
6459 r_pow_t = 1.0_dp
6460 exp2_rsq = exp(-alpha*r*r)
6461 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6462 r_pow_t = r_pow_t*r
6463 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6464 r_pow_t = r_pow_t*r
6465 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6466 r_pow_t = r_pow_t*r
6467 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6468 r_pow_t = r_pow_t*r
6469 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
6470 r_pow_t = r_pow_t*r
6471 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
6472 r_pow_t = r_pow_t*r
6473 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
6474 r_pow_t = r_pow_t*r
6475 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
6476 r_pow_t = r_pow_t*r
6477 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
6478
6479 r = r + dr
6480 END DO
6481
6482 ! C --> H
6483 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6484 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6485 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6486 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6487 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6488 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6489 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6490 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6491 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6492 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6493 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
6494 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
6495 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
6496 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
6497 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
6498 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
6499 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
6500 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
6501 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
6502 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
6503 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
6504 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
6505 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
6506 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
6507 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
6508 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
6509 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
6510 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
6511 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
6512 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
6513 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
6514 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
6515 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
6516 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
6517 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
6518 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
6519 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
6520 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
6521 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
6522 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
6523 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
6524 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
6525 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
6526 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
6527 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
6528
6529 ! H --> HH
6530 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6531
6532 c1 = 1.0_dp/(zeta + zetb)
6533 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6534 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6535
6536 e_0_0_1 = zetb*( &
6537 +c3*e_0_0_0&
6538
6539 )
6540 e_1_0_1 = zetb*( c1*e_0_0_0 &
6541
6542
6543 )
6544 e_0_0_2 = zetb*( &
6545 +c3*e_0_0_1&
6546 +2*e_1_0_1 &
6547 -2*e_0_0_0)
6548 e_1_0_2 = zetb*( c1*e_0_0_1 &
6549 +c3*e_1_0_1&
6550
6551 )
6552 e_2_0_2 = zetb*( c1*e_1_0_1 &
6553
6554
6555 )
6556 e_0_0_3 = zetb*( &
6557 +c3*e_0_0_2&
6558 +2*e_1_0_2 &
6559 -4*e_0_0_1)
6560 e_1_0_3 = zetb*( c1*e_0_0_2 &
6561 +c3*e_1_0_2&
6562 +4*e_2_0_2 &
6563 -4*e_1_0_1)
6564 e_2_0_3 = zetb*( c1*e_1_0_2 &
6565 +c3*e_2_0_2&
6566
6567 )
6568 e_3_0_3 = zetb*( c1*e_2_0_2 &
6569
6570
6571 )
6572 e_0_0_4 = zetb*( &
6573 +c3*e_0_0_3&
6574 +2*e_1_0_3 &
6575 -6*e_0_0_2)
6576 e_1_0_4 = zetb*( c1*e_0_0_3 &
6577 +c3*e_1_0_3&
6578 +4*e_2_0_3 &
6579 -6*e_1_0_2)
6580 e_2_0_4 = zetb*( c1*e_1_0_3 &
6581 +c3*e_2_0_3&
6582 +6*e_3_0_3 &
6583 -6*e_2_0_2)
6584 e_3_0_4 = zetb*( c1*e_2_0_3 &
6585 +c3*e_3_0_3&
6586
6587 )
6588 e_4_0_4 = zetb*( c1*e_3_0_3 &
6589
6590
6591 )
6592
6593 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6594 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6595 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6596 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6597 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6598 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6599 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6600 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6601 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6602 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6603 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6604 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6605 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6606 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6607 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6608 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6609 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6610 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6611 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6612 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6613 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6614 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6615 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6616 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6617 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6618 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6619 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6620 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6621 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6622 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6623 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6624 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6625 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6626 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6627 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6628 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6629 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6630 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6631 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6632 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6633 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6634 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6635 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6636 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6637 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6638 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
6639 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
6640 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
6641 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6642 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
6643 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
6644 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6645 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6646 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
6647 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
6648 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6649 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6650 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6651 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
6652 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
6653 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
6654 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
6655 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
6656 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6657 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
6658 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
6659 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6660 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6661 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
6662 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
6663 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6664 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6665 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6666 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
6667 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
6668 r1 = r1 + dr
6669 END DO
6670
6671 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6672 END SUBROUTINE
6673 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_0_exp_0 ( &
6674 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6675 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6676 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6677 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6678 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6679 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6680 r_pow_t, r_tmp, rr1_delta, rr2_delta
6681
6682 REAL(kind=dp) :: c1, c2, c3
6683 REAL(kind=dp) :: s_r_t_0, s_r_t_1
6684 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
6685 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
6686 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6687
6688
6689 dr = lgth
6690 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6691
6692 s_r(:, :, :) = 0.0_dp
6693
6694 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6695
6696 h_to_c_0_0 = sqrt(alpha/pi)
6697
6698 h_to_c_0_1 = 0.0_dp
6699 h_to_c_1_1 = +2*alpha*h_to_c_0_0
6700
6701
6702 rr1_delta = (ra - rb)/dr
6703
6704 rr1_l = ceiling(-r_c(1) + rr1_delta)
6705 rr1_r = floor(r_c(1) + rr1_delta)
6706
6707 r1 = rr1_l*dr
6708
6709 alpha_e = zeta*zetb/(zeta + zetb)
6710
6711 DO rr1 = rr1_l, rr1_r
6712 s_r_t_0 = 0.0_dp
6713 s_r_t2_0 = 0.0_dp
6714 s_r_t_1 = 0.0_dp
6715 s_r_t2_1 = 0.0_dp
6716 r_tmp = r_offset + r1*zeta/(zeta + zetb)
6717 rr2_delta = -r_tmp/dr
6718
6719 rr2_l = ceiling(-r_c(2) + rr2_delta)
6720 rr2_r = floor(r_c(2) + rr2_delta)
6721
6722 r = r_tmp + (rr2_l)*dr
6723
6724
6725 DO rr2 = rr2_l, rr2_r
6726 r_pow_t = 1.0_dp
6727 exp2_rsq = exp(-alpha*r*r)
6728 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6729 r_pow_t = r_pow_t*r
6730 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6731
6732 r = r + dr
6733 END DO
6734
6735 ! C --> H
6736 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6737 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6738 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6739
6740 ! H --> HH
6741 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6742
6743 c1 = 1.0_dp/(zeta + zetb)
6744 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6745 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6746
6747 e_0_1_0 = zeta*( &
6748 +c2*e_0_0_0&
6749
6750 )
6751 e_1_1_0 = zeta*( c1*e_0_0_0 &
6752
6753
6754 )
6755
6756 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6757 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6758 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6759 r1 = r1 + dr
6760 END DO
6761
6762 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6763 END SUBROUTINE
6764 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_1_exp_0 ( &
6765 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6766 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6767 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6768 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6769 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6770 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6771 r_pow_t, r_tmp, rr1_delta, rr2_delta
6772
6773 REAL(kind=dp) :: c1, c2, c3
6774 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
6775 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
6776 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
6777 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6778
6779
6780 dr = lgth
6781 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6782
6783 s_r(:, :, :) = 0.0_dp
6784
6785 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6786
6787 h_to_c_0_0 = sqrt(alpha/pi)
6788
6789 h_to_c_0_1 = 0.0_dp
6790 h_to_c_1_1 = +2*alpha*h_to_c_0_0
6791 h_to_c_0_2 = -1*h_to_c_1_1
6792 h_to_c_1_2 = +2*alpha*h_to_c_0_1
6793 h_to_c_2_2 = +2*alpha*h_to_c_1_1
6794
6795
6796 rr1_delta = (ra - rb)/dr
6797
6798 rr1_l = ceiling(-r_c(1) + rr1_delta)
6799 rr1_r = floor(r_c(1) + rr1_delta)
6800
6801 r1 = rr1_l*dr
6802
6803 alpha_e = zeta*zetb/(zeta + zetb)
6804
6805 DO rr1 = rr1_l, rr1_r
6806 s_r_t_0 = 0.0_dp
6807 s_r_t2_0 = 0.0_dp
6808 s_r_t_1 = 0.0_dp
6809 s_r_t2_1 = 0.0_dp
6810 s_r_t_2 = 0.0_dp
6811 s_r_t2_2 = 0.0_dp
6812 r_tmp = r_offset + r1*zeta/(zeta + zetb)
6813 rr2_delta = -r_tmp/dr
6814
6815 rr2_l = ceiling(-r_c(2) + rr2_delta)
6816 rr2_r = floor(r_c(2) + rr2_delta)
6817
6818 r = r_tmp + (rr2_l)*dr
6819
6820
6821 DO rr2 = rr2_l, rr2_r
6822 r_pow_t = 1.0_dp
6823 exp2_rsq = exp(-alpha*r*r)
6824 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6825 r_pow_t = r_pow_t*r
6826 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6827 r_pow_t = r_pow_t*r
6828 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6829
6830 r = r + dr
6831 END DO
6832
6833 ! C --> H
6834 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6835 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6836 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6837 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6838 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6839 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6840
6841 ! H --> HH
6842 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6843
6844 c1 = 1.0_dp/(zeta + zetb)
6845 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6846 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6847
6848 e_0_1_0 = zeta*( &
6849 +c2*e_0_0_0&
6850
6851 )
6852 e_1_1_0 = zeta*( c1*e_0_0_0 &
6853
6854
6855 )
6856
6857 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6858 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6859 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6860 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6861 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
6862 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
6863 r1 = r1 + dr
6864 END DO
6865
6866 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6867 END SUBROUTINE
6868 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_2_exp_0 ( &
6869 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6870 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6871 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6872 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6873 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6874 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6875 r_pow_t, r_tmp, rr1_delta, rr2_delta
6876
6877 REAL(kind=dp) :: c1, c2, c3
6878 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
6879 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
6880 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6881 & h_to_c_3_3
6882 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6883
6884
6885 dr = lgth
6886 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6887
6888 s_r(:, :, :) = 0.0_dp
6889
6890 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6891
6892 h_to_c_0_0 = sqrt(alpha/pi)
6893
6894 h_to_c_0_1 = 0.0_dp
6895 h_to_c_1_1 = +2*alpha*h_to_c_0_0
6896 h_to_c_0_2 = -1*h_to_c_1_1
6897 h_to_c_1_2 = +2*alpha*h_to_c_0_1
6898 h_to_c_2_2 = +2*alpha*h_to_c_1_1
6899 h_to_c_0_3 = -1*h_to_c_1_2
6900 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6901 h_to_c_2_3 = +2*alpha*h_to_c_1_2
6902 h_to_c_3_3 = +2*alpha*h_to_c_2_2
6903
6904
6905 rr1_delta = (ra - rb)/dr
6906
6907 rr1_l = ceiling(-r_c(1) + rr1_delta)
6908 rr1_r = floor(r_c(1) + rr1_delta)
6909
6910 r1 = rr1_l*dr
6911
6912 alpha_e = zeta*zetb/(zeta + zetb)
6913
6914 DO rr1 = rr1_l, rr1_r
6915 s_r_t_0 = 0.0_dp
6916 s_r_t2_0 = 0.0_dp
6917 s_r_t_1 = 0.0_dp
6918 s_r_t2_1 = 0.0_dp
6919 s_r_t_2 = 0.0_dp
6920 s_r_t2_2 = 0.0_dp
6921 s_r_t_3 = 0.0_dp
6922 s_r_t2_3 = 0.0_dp
6923 r_tmp = r_offset + r1*zeta/(zeta + zetb)
6924 rr2_delta = -r_tmp/dr
6925
6926 rr2_l = ceiling(-r_c(2) + rr2_delta)
6927 rr2_r = floor(r_c(2) + rr2_delta)
6928
6929 r = r_tmp + (rr2_l)*dr
6930
6931
6932 DO rr2 = rr2_l, rr2_r
6933 r_pow_t = 1.0_dp
6934 exp2_rsq = exp(-alpha*r*r)
6935 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6936 r_pow_t = r_pow_t*r
6937 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6938 r_pow_t = r_pow_t*r
6939 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6940 r_pow_t = r_pow_t*r
6941 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6942
6943 r = r + dr
6944 END DO
6945
6946 ! C --> H
6947 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6948 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6949 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6950 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6951 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6952 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6953 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6954 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6955 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6956 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6957
6958 ! H --> HH
6959 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6960
6961 c1 = 1.0_dp/(zeta + zetb)
6962 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6963 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6964
6965 e_0_1_0 = zeta*( &
6966 +c2*e_0_0_0&
6967
6968 )
6969 e_1_1_0 = zeta*( c1*e_0_0_0 &
6970
6971
6972 )
6973
6974 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6975 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6976 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6977 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6978 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
6979 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
6980 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6981 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
6982 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
6983 r1 = r1 + dr
6984 END DO
6985
6986 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6987 END SUBROUTINE
6988 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_3_exp_0 ( &
6989 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6990 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6991 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6992 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6993 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6994 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6995 r_pow_t, r_tmp, rr1_delta, rr2_delta
6996
6997 REAL(kind=dp) :: c1, c2, c3
6998 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
6999 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
7000 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7001 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
7002 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
7003
7004
7005 dr = lgth
7006 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7007
7008 s_r(:, :, :) = 0.0_dp
7009
7010 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7011
7012 h_to_c_0_0 = sqrt(alpha/pi)
7013
7014 h_to_c_0_1 = 0.0_dp
7015 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7016 h_to_c_0_2 = -1*h_to_c_1_1
7017 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7018 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7019 h_to_c_0_3 = -1*h_to_c_1_2
7020 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7021 h_to_c_2_3 = +2*alpha*h_to_c_1_2
7022 h_to_c_3_3 = +2*alpha*h_to_c_2_2
7023 h_to_c_0_4 = -1*h_to_c_1_3
7024 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7025 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7026 h_to_c_3_4 = +2*alpha*h_to_c_2_3
7027 h_to_c_4_4 = +2*alpha*h_to_c_3_3
7028
7029
7030 rr1_delta = (ra - rb)/dr
7031
7032 rr1_l = ceiling(-r_c(1) + rr1_delta)
7033 rr1_r = floor(r_c(1) + rr1_delta)
7034
7035 r1 = rr1_l*dr
7036
7037 alpha_e = zeta*zetb/(zeta + zetb)
7038
7039 DO rr1 = rr1_l, rr1_r
7040 s_r_t_0 = 0.0_dp
7041 s_r_t2_0 = 0.0_dp
7042 s_r_t_1 = 0.0_dp
7043 s_r_t2_1 = 0.0_dp
7044 s_r_t_2 = 0.0_dp
7045 s_r_t2_2 = 0.0_dp
7046 s_r_t_3 = 0.0_dp
7047 s_r_t2_3 = 0.0_dp
7048 s_r_t_4 = 0.0_dp
7049 s_r_t2_4 = 0.0_dp
7050 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7051 rr2_delta = -r_tmp/dr
7052
7053 rr2_l = ceiling(-r_c(2) + rr2_delta)
7054 rr2_r = floor(r_c(2) + rr2_delta)
7055
7056 r = r_tmp + (rr2_l)*dr
7057
7058
7059 DO rr2 = rr2_l, rr2_r
7060 r_pow_t = 1.0_dp
7061 exp2_rsq = exp(-alpha*r*r)
7062 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7063 r_pow_t = r_pow_t*r
7064 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7065 r_pow_t = r_pow_t*r
7066 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7067 r_pow_t = r_pow_t*r
7068 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7069 r_pow_t = r_pow_t*r
7070 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7071
7072 r = r + dr
7073 END DO
7074
7075 ! C --> H
7076 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7077 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7078 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7079 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7080 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7081 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7082 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7083 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7084 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7085 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7086 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7087 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7088 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7089 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7090 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7091
7092 ! H --> HH
7093 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7094
7095 c1 = 1.0_dp/(zeta + zetb)
7096 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7097 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7098
7099 e_0_1_0 = zeta*( &
7100 +c2*e_0_0_0&
7101
7102 )
7103 e_1_1_0 = zeta*( c1*e_0_0_0 &
7104
7105
7106 )
7107
7108 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7109 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7110 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7111 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7112 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7113 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7114 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7115 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7116 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7117 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7118 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7119 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7120 r1 = r1 + dr
7121 END DO
7122
7123 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7124 END SUBROUTINE
7125 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_4_exp_0 ( &
7126 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7127 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7128 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7129 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7130 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7131 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7132 r_pow_t, r_tmp, rr1_delta, rr2_delta
7133
7134 REAL(kind=dp) :: c1, c2, c3
7135 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
7136 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
7137 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7138 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7139 & h_to_c_4_5, h_to_c_5_5
7140 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
7141
7142
7143 dr = lgth
7144 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7145
7146 s_r(:, :, :) = 0.0_dp
7147
7148 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7149
7150 h_to_c_0_0 = sqrt(alpha/pi)
7151
7152 h_to_c_0_1 = 0.0_dp
7153 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7154 h_to_c_0_2 = -1*h_to_c_1_1
7155 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7156 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7157 h_to_c_0_3 = -1*h_to_c_1_2
7158 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7159 h_to_c_2_3 = +2*alpha*h_to_c_1_2
7160 h_to_c_3_3 = +2*alpha*h_to_c_2_2
7161 h_to_c_0_4 = -1*h_to_c_1_3
7162 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7163 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7164 h_to_c_3_4 = +2*alpha*h_to_c_2_3
7165 h_to_c_4_4 = +2*alpha*h_to_c_3_3
7166 h_to_c_0_5 = -1*h_to_c_1_4
7167 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
7168 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
7169 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
7170 h_to_c_4_5 = +2*alpha*h_to_c_3_4
7171 h_to_c_5_5 = +2*alpha*h_to_c_4_4
7172
7173
7174 rr1_delta = (ra - rb)/dr
7175
7176 rr1_l = ceiling(-r_c(1) + rr1_delta)
7177 rr1_r = floor(r_c(1) + rr1_delta)
7178
7179 r1 = rr1_l*dr
7180
7181 alpha_e = zeta*zetb/(zeta + zetb)
7182
7183 DO rr1 = rr1_l, rr1_r
7184 s_r_t_0 = 0.0_dp
7185 s_r_t2_0 = 0.0_dp
7186 s_r_t_1 = 0.0_dp
7187 s_r_t2_1 = 0.0_dp
7188 s_r_t_2 = 0.0_dp
7189 s_r_t2_2 = 0.0_dp
7190 s_r_t_3 = 0.0_dp
7191 s_r_t2_3 = 0.0_dp
7192 s_r_t_4 = 0.0_dp
7193 s_r_t2_4 = 0.0_dp
7194 s_r_t_5 = 0.0_dp
7195 s_r_t2_5 = 0.0_dp
7196 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7197 rr2_delta = -r_tmp/dr
7198
7199 rr2_l = ceiling(-r_c(2) + rr2_delta)
7200 rr2_r = floor(r_c(2) + rr2_delta)
7201
7202 r = r_tmp + (rr2_l)*dr
7203
7204
7205 DO rr2 = rr2_l, rr2_r
7206 r_pow_t = 1.0_dp
7207 exp2_rsq = exp(-alpha*r*r)
7208 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7209 r_pow_t = r_pow_t*r
7210 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7211 r_pow_t = r_pow_t*r
7212 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7213 r_pow_t = r_pow_t*r
7214 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7215 r_pow_t = r_pow_t*r
7216 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7217 r_pow_t = r_pow_t*r
7218 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
7219
7220 r = r + dr
7221 END DO
7222
7223 ! C --> H
7224 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7225 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7226 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7227 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7228 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7229 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7230 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7231 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7232 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7233 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7234 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7235 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7236 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7237 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7238 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7239 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
7240 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
7241 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
7242 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
7243 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
7244 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
7245
7246 ! H --> HH
7247 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7248
7249 c1 = 1.0_dp/(zeta + zetb)
7250 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7251 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7252
7253 e_0_1_0 = zeta*( &
7254 +c2*e_0_0_0&
7255
7256 )
7257 e_1_1_0 = zeta*( c1*e_0_0_0 &
7258
7259
7260 )
7261
7262 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7263 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7264 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7265 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7266 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7267 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7268 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7269 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7270 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7271 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7272 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7273 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7274 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
7275 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
7276 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
7277 r1 = r1 + dr
7278 END DO
7279
7280 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7281 END SUBROUTINE
7282 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_0_exp_0 ( &
7283 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7284 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7285 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7286 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7287 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7288 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7289 r_pow_t, r_tmp, rr1_delta, rr2_delta
7290
7291 REAL(kind=dp) :: c1, c2, c3
7292 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
7293 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
7294 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
7295 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7296
7297
7298 dr = lgth
7299 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7300
7301 s_r(:, :, :) = 0.0_dp
7302
7303 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7304
7305 h_to_c_0_0 = sqrt(alpha/pi)
7306
7307 h_to_c_0_1 = 0.0_dp
7308 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7309 h_to_c_0_2 = -1*h_to_c_1_1
7310 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7311 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7312
7313
7314 rr1_delta = (ra - rb)/dr
7315
7316 rr1_l = ceiling(-r_c(1) + rr1_delta)
7317 rr1_r = floor(r_c(1) + rr1_delta)
7318
7319 r1 = rr1_l*dr
7320
7321 alpha_e = zeta*zetb/(zeta + zetb)
7322
7323 DO rr1 = rr1_l, rr1_r
7324 s_r_t_0 = 0.0_dp
7325 s_r_t2_0 = 0.0_dp
7326 s_r_t_1 = 0.0_dp
7327 s_r_t2_1 = 0.0_dp
7328 s_r_t_2 = 0.0_dp
7329 s_r_t2_2 = 0.0_dp
7330 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7331 rr2_delta = -r_tmp/dr
7332
7333 rr2_l = ceiling(-r_c(2) + rr2_delta)
7334 rr2_r = floor(r_c(2) + rr2_delta)
7335
7336 r = r_tmp + (rr2_l)*dr
7337
7338
7339 DO rr2 = rr2_l, rr2_r
7340 r_pow_t = 1.0_dp
7341 exp2_rsq = exp(-alpha*r*r)
7342 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7343 r_pow_t = r_pow_t*r
7344 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7345 r_pow_t = r_pow_t*r
7346 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7347
7348 r = r + dr
7349 END DO
7350
7351 ! C --> H
7352 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7353 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7354 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7355 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7356 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7357 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7358
7359 ! H --> HH
7360 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7361
7362 c1 = 1.0_dp/(zeta + zetb)
7363 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7364 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7365
7366 e_0_1_0 = zeta*( &
7367 +c2*e_0_0_0&
7368
7369 )
7370 e_0_0_1 = zetb*( &
7371 +c3*e_0_0_0&
7372
7373 )
7374 e_1_1_0 = zeta*( c1*e_0_0_0 &
7375
7376
7377 )
7378 e_1_0_1 = zetb*( c1*e_0_0_0 &
7379
7380
7381 )
7382 e_0_1_1 = zetb*( &
7383 +c3*e_0_1_0&
7384 +2*e_1_1_0 &
7385 )
7386 e_1_1_1 = zetb*( c1*e_0_1_0 &
7387 +c3*e_1_1_0&
7388
7389 )
7390 e_2_1_1 = zetb*( c1*e_1_1_0 &
7391
7392
7393 )
7394 e_0_1_1 = zeta*( &
7395 +c2*e_0_0_1&
7396 +2*e_1_0_1 &
7397 )
7398 e_1_1_1 = zeta*( c1*e_0_0_1 &
7399 +c2*e_1_0_1&
7400
7401 )
7402 e_2_1_1 = zeta*( c1*e_1_0_1 &
7403
7404
7405 )
7406
7407 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7408 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7409 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7410 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7411 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7412 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7413 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7414 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7415 r1 = r1 + dr
7416 END DO
7417
7418 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7419 END SUBROUTINE
7420 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_1_exp_0 ( &
7421 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7422 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7423 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7424 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7425 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7426 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7427 r_pow_t, r_tmp, rr1_delta, rr2_delta
7428
7429 REAL(kind=dp) :: c1, c2, c3
7430 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
7431 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
7432 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7433 & h_to_c_3_3
7434 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7435
7436
7437 dr = lgth
7438 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7439
7440 s_r(:, :, :) = 0.0_dp
7441
7442 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7443
7444 h_to_c_0_0 = sqrt(alpha/pi)
7445
7446 h_to_c_0_1 = 0.0_dp
7447 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7448 h_to_c_0_2 = -1*h_to_c_1_1
7449 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7450 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7451 h_to_c_0_3 = -1*h_to_c_1_2
7452 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7453 h_to_c_2_3 = +2*alpha*h_to_c_1_2
7454 h_to_c_3_3 = +2*alpha*h_to_c_2_2
7455
7456
7457 rr1_delta = (ra - rb)/dr
7458
7459 rr1_l = ceiling(-r_c(1) + rr1_delta)
7460 rr1_r = floor(r_c(1) + rr1_delta)
7461
7462 r1 = rr1_l*dr
7463
7464 alpha_e = zeta*zetb/(zeta + zetb)
7465
7466 DO rr1 = rr1_l, rr1_r
7467 s_r_t_0 = 0.0_dp
7468 s_r_t2_0 = 0.0_dp
7469 s_r_t_1 = 0.0_dp
7470 s_r_t2_1 = 0.0_dp
7471 s_r_t_2 = 0.0_dp
7472 s_r_t2_2 = 0.0_dp
7473 s_r_t_3 = 0.0_dp
7474 s_r_t2_3 = 0.0_dp
7475 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7476 rr2_delta = -r_tmp/dr
7477
7478 rr2_l = ceiling(-r_c(2) + rr2_delta)
7479 rr2_r = floor(r_c(2) + rr2_delta)
7480
7481 r = r_tmp + (rr2_l)*dr
7482
7483
7484 DO rr2 = rr2_l, rr2_r
7485 r_pow_t = 1.0_dp
7486 exp2_rsq = exp(-alpha*r*r)
7487 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7488 r_pow_t = r_pow_t*r
7489 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7490 r_pow_t = r_pow_t*r
7491 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7492 r_pow_t = r_pow_t*r
7493 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7494
7495 r = r + dr
7496 END DO
7497
7498 ! C --> H
7499 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7500 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7501 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7502 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7503 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7504 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7505 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7506 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7507 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7508 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7509
7510 ! H --> HH
7511 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7512
7513 c1 = 1.0_dp/(zeta + zetb)
7514 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7515 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7516
7517 e_0_1_0 = zeta*( &
7518 +c2*e_0_0_0&
7519
7520 )
7521 e_0_0_1 = zetb*( &
7522 +c3*e_0_0_0&
7523
7524 )
7525 e_1_1_0 = zeta*( c1*e_0_0_0 &
7526
7527
7528 )
7529 e_1_0_1 = zetb*( c1*e_0_0_0 &
7530
7531
7532 )
7533 e_0_1_1 = zetb*( &
7534 +c3*e_0_1_0&
7535 +2*e_1_1_0 &
7536 )
7537 e_1_1_1 = zetb*( c1*e_0_1_0 &
7538 +c3*e_1_1_0&
7539
7540 )
7541 e_2_1_1 = zetb*( c1*e_1_1_0 &
7542
7543
7544 )
7545 e_0_1_1 = zeta*( &
7546 +c2*e_0_0_1&
7547 +2*e_1_0_1 &
7548 )
7549 e_1_1_1 = zeta*( c1*e_0_0_1 &
7550 +c2*e_1_0_1&
7551
7552 )
7553 e_2_1_1 = zeta*( c1*e_1_0_1 &
7554
7555
7556 )
7557
7558 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7559 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7560 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7561 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7562 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7563 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7564 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7565 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7566 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7567 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7568 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7569 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7570 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7571 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7572 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7573 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7574 r1 = r1 + dr
7575 END DO
7576
7577 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7578 END SUBROUTINE
7579 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_2_exp_0 ( &
7580 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7581 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7582 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7583 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7584 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7585 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7586 r_pow_t, r_tmp, rr1_delta, rr2_delta
7587
7588 REAL(kind=dp) :: c1, c2, c3
7589 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
7590 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
7591 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7592 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
7593 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7594
7595
7596 dr = lgth
7597 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7598
7599 s_r(:, :, :) = 0.0_dp
7600
7601 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7602
7603 h_to_c_0_0 = sqrt(alpha/pi)
7604
7605 h_to_c_0_1 = 0.0_dp
7606 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7607 h_to_c_0_2 = -1*h_to_c_1_1
7608 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7609 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7610 h_to_c_0_3 = -1*h_to_c_1_2
7611 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7612 h_to_c_2_3 = +2*alpha*h_to_c_1_2
7613 h_to_c_3_3 = +2*alpha*h_to_c_2_2
7614 h_to_c_0_4 = -1*h_to_c_1_3
7615 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7616 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7617 h_to_c_3_4 = +2*alpha*h_to_c_2_3
7618 h_to_c_4_4 = +2*alpha*h_to_c_3_3
7619
7620
7621 rr1_delta = (ra - rb)/dr
7622
7623 rr1_l = ceiling(-r_c(1) + rr1_delta)
7624 rr1_r = floor(r_c(1) + rr1_delta)
7625
7626 r1 = rr1_l*dr
7627
7628 alpha_e = zeta*zetb/(zeta + zetb)
7629
7630 DO rr1 = rr1_l, rr1_r
7631 s_r_t_0 = 0.0_dp
7632 s_r_t2_0 = 0.0_dp
7633 s_r_t_1 = 0.0_dp
7634 s_r_t2_1 = 0.0_dp
7635 s_r_t_2 = 0.0_dp
7636 s_r_t2_2 = 0.0_dp
7637 s_r_t_3 = 0.0_dp
7638 s_r_t2_3 = 0.0_dp
7639 s_r_t_4 = 0.0_dp
7640 s_r_t2_4 = 0.0_dp
7641 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7642 rr2_delta = -r_tmp/dr
7643
7644 rr2_l = ceiling(-r_c(2) + rr2_delta)
7645 rr2_r = floor(r_c(2) + rr2_delta)
7646
7647 r = r_tmp + (rr2_l)*dr
7648
7649
7650 DO rr2 = rr2_l, rr2_r
7651 r_pow_t = 1.0_dp
7652 exp2_rsq = exp(-alpha*r*r)
7653 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7654 r_pow_t = r_pow_t*r
7655 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7656 r_pow_t = r_pow_t*r
7657 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7658 r_pow_t = r_pow_t*r
7659 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7660 r_pow_t = r_pow_t*r
7661 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7662
7663 r = r + dr
7664 END DO
7665
7666 ! C --> H
7667 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7668 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7669 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7670 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7671 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7672 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7673 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7674 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7675 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7676 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7677 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7678 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7679 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7680 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7681 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7682
7683 ! H --> HH
7684 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7685
7686 c1 = 1.0_dp/(zeta + zetb)
7687 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7688 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7689
7690 e_0_1_0 = zeta*( &
7691 +c2*e_0_0_0&
7692
7693 )
7694 e_0_0_1 = zetb*( &
7695 +c3*e_0_0_0&
7696
7697 )
7698 e_1_1_0 = zeta*( c1*e_0_0_0 &
7699
7700
7701 )
7702 e_1_0_1 = zetb*( c1*e_0_0_0 &
7703
7704
7705 )
7706 e_0_1_1 = zetb*( &
7707 +c3*e_0_1_0&
7708 +2*e_1_1_0 &
7709 )
7710 e_1_1_1 = zetb*( c1*e_0_1_0 &
7711 +c3*e_1_1_0&
7712
7713 )
7714 e_2_1_1 = zetb*( c1*e_1_1_0 &
7715
7716
7717 )
7718 e_0_1_1 = zeta*( &
7719 +c2*e_0_0_1&
7720 +2*e_1_0_1 &
7721 )
7722 e_1_1_1 = zeta*( c1*e_0_0_1 &
7723 +c2*e_1_0_1&
7724
7725 )
7726 e_2_1_1 = zeta*( c1*e_1_0_1 &
7727
7728
7729 )
7730
7731 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7732 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7733 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7734 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7735 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7736 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7737 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7738 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7739 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7740 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7741 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7742 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7743 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7744 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7745 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7746 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7747 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7748 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7749 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7750 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
7751 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
7752 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7753 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
7754 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
7755 r1 = r1 + dr
7756 END DO
7757
7758 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7759 END SUBROUTINE
7760 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_3_exp_0 ( &
7761 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7762 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7763 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7764 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7765 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7766 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7767 r_pow_t, r_tmp, rr1_delta, rr2_delta
7768
7769 REAL(kind=dp) :: c1, c2, c3
7770 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
7771 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
7772 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7773 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7774 & h_to_c_4_5, h_to_c_5_5
7775 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7776
7777
7778 dr = lgth
7779 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7780
7781 s_r(:, :, :) = 0.0_dp
7782
7783 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7784
7785 h_to_c_0_0 = sqrt(alpha/pi)
7786
7787 h_to_c_0_1 = 0.0_dp
7788 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7789 h_to_c_0_2 = -1*h_to_c_1_1
7790 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7791 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7792 h_to_c_0_3 = -1*h_to_c_1_2
7793 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7794 h_to_c_2_3 = +2*alpha*h_to_c_1_2
7795 h_to_c_3_3 = +2*alpha*h_to_c_2_2
7796 h_to_c_0_4 = -1*h_to_c_1_3
7797 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7798 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7799 h_to_c_3_4 = +2*alpha*h_to_c_2_3
7800 h_to_c_4_4 = +2*alpha*h_to_c_3_3
7801 h_to_c_0_5 = -1*h_to_c_1_4
7802 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
7803 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
7804 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
7805 h_to_c_4_5 = +2*alpha*h_to_c_3_4
7806 h_to_c_5_5 = +2*alpha*h_to_c_4_4
7807
7808
7809 rr1_delta = (ra - rb)/dr
7810
7811 rr1_l = ceiling(-r_c(1) + rr1_delta)
7812 rr1_r = floor(r_c(1) + rr1_delta)
7813
7814 r1 = rr1_l*dr
7815
7816 alpha_e = zeta*zetb/(zeta + zetb)
7817
7818 DO rr1 = rr1_l, rr1_r
7819 s_r_t_0 = 0.0_dp
7820 s_r_t2_0 = 0.0_dp
7821 s_r_t_1 = 0.0_dp
7822 s_r_t2_1 = 0.0_dp
7823 s_r_t_2 = 0.0_dp
7824 s_r_t2_2 = 0.0_dp
7825 s_r_t_3 = 0.0_dp
7826 s_r_t2_3 = 0.0_dp
7827 s_r_t_4 = 0.0_dp
7828 s_r_t2_4 = 0.0_dp
7829 s_r_t_5 = 0.0_dp
7830 s_r_t2_5 = 0.0_dp
7831 r_tmp = r_offset + r1*zeta/(zeta + zetb)
7832 rr2_delta = -r_tmp/dr
7833
7834 rr2_l = ceiling(-r_c(2) + rr2_delta)
7835 rr2_r = floor(r_c(2) + rr2_delta)
7836
7837 r = r_tmp + (rr2_l)*dr
7838
7839
7840 DO rr2 = rr2_l, rr2_r
7841 r_pow_t = 1.0_dp
7842 exp2_rsq = exp(-alpha*r*r)
7843 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7844 r_pow_t = r_pow_t*r
7845 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7846 r_pow_t = r_pow_t*r
7847 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7848 r_pow_t = r_pow_t*r
7849 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7850 r_pow_t = r_pow_t*r
7851 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7852 r_pow_t = r_pow_t*r
7853 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
7854
7855 r = r + dr
7856 END DO
7857
7858 ! C --> H
7859 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7860 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7861 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7862 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7863 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7864 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7865 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7866 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7867 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7868 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7869 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7870 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7871 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7872 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7873 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7874 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
7875 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
7876 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
7877 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
7878 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
7879 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
7880
7881 ! H --> HH
7882 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7883
7884 c1 = 1.0_dp/(zeta + zetb)
7885 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7886 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7887
7888 e_0_1_0 = zeta*( &
7889 +c2*e_0_0_0&
7890
7891 )
7892 e_0_0_1 = zetb*( &
7893 +c3*e_0_0_0&
7894
7895 )
7896 e_1_1_0 = zeta*( c1*e_0_0_0 &
7897
7898
7899 )
7900 e_1_0_1 = zetb*( c1*e_0_0_0 &
7901
7902
7903 )
7904 e_0_1_1 = zetb*( &
7905 +c3*e_0_1_0&
7906 +2*e_1_1_0 &
7907 )
7908 e_1_1_1 = zetb*( c1*e_0_1_0 &
7909 +c3*e_1_1_0&
7910
7911 )
7912 e_2_1_1 = zetb*( c1*e_1_1_0 &
7913
7914
7915 )
7916 e_0_1_1 = zeta*( &
7917 +c2*e_0_0_1&
7918 +2*e_1_0_1 &
7919 )
7920 e_1_1_1 = zeta*( c1*e_0_0_1 &
7921 +c2*e_1_0_1&
7922
7923 )
7924 e_2_1_1 = zeta*( c1*e_1_0_1 &
7925
7926
7927 )
7928
7929 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7930 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7931 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7932 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7933 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7934 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7935 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7936 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7937 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7938 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7939 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7940 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7941 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7942 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7943 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7944 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7945 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7946 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7947 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7948 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
7949 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
7950 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7951 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
7952 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
7953 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7954 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7955 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7956 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
7957 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
7958 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7959 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
7960 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
7961 r1 = r1 + dr
7962 END DO
7963
7964 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7965 END SUBROUTINE
7966 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_4_exp_0 ( &
7967 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7968 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7969 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7970 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7971 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7972 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7973 r_pow_t, r_tmp, rr1_delta, rr2_delta
7974
7975 REAL(kind=dp) :: c1, c2, c3
7976 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
7977 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
7978 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7979 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7980 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
7981 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7982
7983
7984 dr = lgth
7985 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7986
7987 s_r(:, :, :) = 0.0_dp
7988
7989 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7990
7991 h_to_c_0_0 = sqrt(alpha/pi)
7992
7993 h_to_c_0_1 = 0.0_dp
7994 h_to_c_1_1 = +2*alpha*h_to_c_0_0
7995 h_to_c_0_2 = -1*h_to_c_1_1
7996 h_to_c_1_2 = +2*alpha*h_to_c_0_1
7997 h_to_c_2_2 = +2*alpha*h_to_c_1_1
7998 h_to_c_0_3 = -1*h_to_c_1_2
7999 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8000 h_to_c_2_3 = +2*alpha*h_to_c_1_2
8001 h_to_c_3_3 = +2*alpha*h_to_c_2_2
8002 h_to_c_0_4 = -1*h_to_c_1_3
8003 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8004 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8005 h_to_c_3_4 = +2*alpha*h_to_c_2_3
8006 h_to_c_4_4 = +2*alpha*h_to_c_3_3
8007 h_to_c_0_5 = -1*h_to_c_1_4
8008 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8009 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8010 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8011 h_to_c_4_5 = +2*alpha*h_to_c_3_4
8012 h_to_c_5_5 = +2*alpha*h_to_c_4_4
8013 h_to_c_0_6 = -1*h_to_c_1_5
8014 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
8015 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
8016 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
8017 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
8018 h_to_c_5_6 = +2*alpha*h_to_c_4_5
8019 h_to_c_6_6 = +2*alpha*h_to_c_5_5
8020
8021
8022 rr1_delta = (ra - rb)/dr
8023
8024 rr1_l = ceiling(-r_c(1) + rr1_delta)
8025 rr1_r = floor(r_c(1) + rr1_delta)
8026
8027 r1 = rr1_l*dr
8028
8029 alpha_e = zeta*zetb/(zeta + zetb)
8030
8031 DO rr1 = rr1_l, rr1_r
8032 s_r_t_0 = 0.0_dp
8033 s_r_t2_0 = 0.0_dp
8034 s_r_t_1 = 0.0_dp
8035 s_r_t2_1 = 0.0_dp
8036 s_r_t_2 = 0.0_dp
8037 s_r_t2_2 = 0.0_dp
8038 s_r_t_3 = 0.0_dp
8039 s_r_t2_3 = 0.0_dp
8040 s_r_t_4 = 0.0_dp
8041 s_r_t2_4 = 0.0_dp
8042 s_r_t_5 = 0.0_dp
8043 s_r_t2_5 = 0.0_dp
8044 s_r_t_6 = 0.0_dp
8045 s_r_t2_6 = 0.0_dp
8046 r_tmp = r_offset + r1*zeta/(zeta + zetb)
8047 rr2_delta = -r_tmp/dr
8048
8049 rr2_l = ceiling(-r_c(2) + rr2_delta)
8050 rr2_r = floor(r_c(2) + rr2_delta)
8051
8052 r = r_tmp + (rr2_l)*dr
8053
8054
8055 DO rr2 = rr2_l, rr2_r
8056 r_pow_t = 1.0_dp
8057 exp2_rsq = exp(-alpha*r*r)
8058 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8059 r_pow_t = r_pow_t*r
8060 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8061 r_pow_t = r_pow_t*r
8062 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8063 r_pow_t = r_pow_t*r
8064 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8065 r_pow_t = r_pow_t*r
8066 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8067 r_pow_t = r_pow_t*r
8068 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
8069 r_pow_t = r_pow_t*r
8070 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
8071
8072 r = r + dr
8073 END DO
8074
8075 ! C --> H
8076 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8077 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8078 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8079 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8080 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8081 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8082 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8083 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8084 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8085 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8086 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8087 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8088 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8089 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8090 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8091 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
8092 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
8093 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
8094 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
8095 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
8096 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
8097 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
8098 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
8099 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
8100 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
8101 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
8102 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
8103 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
8104
8105 ! H --> HH
8106 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8107
8108 c1 = 1.0_dp/(zeta + zetb)
8109 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8110 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8111
8112 e_0_1_0 = zeta*( &
8113 +c2*e_0_0_0&
8114
8115 )
8116 e_0_0_1 = zetb*( &
8117 +c3*e_0_0_0&
8118
8119 )
8120 e_1_1_0 = zeta*( c1*e_0_0_0 &
8121
8122
8123 )
8124 e_1_0_1 = zetb*( c1*e_0_0_0 &
8125
8126
8127 )
8128 e_0_1_1 = zetb*( &
8129 +c3*e_0_1_0&
8130 +2*e_1_1_0 &
8131 )
8132 e_1_1_1 = zetb*( c1*e_0_1_0 &
8133 +c3*e_1_1_0&
8134
8135 )
8136 e_2_1_1 = zetb*( c1*e_1_1_0 &
8137
8138
8139 )
8140 e_0_1_1 = zeta*( &
8141 +c2*e_0_0_1&
8142 +2*e_1_0_1 &
8143 )
8144 e_1_1_1 = zeta*( c1*e_0_0_1 &
8145 +c2*e_1_0_1&
8146
8147 )
8148 e_2_1_1 = zeta*( c1*e_1_0_1 &
8149
8150
8151 )
8152
8153 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8154 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8155 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8156 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8157 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8158 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8159 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8160 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8161 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8162 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8163 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8164 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8165 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8166 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8167 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8168 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8169 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
8170 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
8171 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
8172 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
8173 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
8174 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8175 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
8176 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8177 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
8178 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
8179 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
8180 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
8181 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
8182 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8183 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
8184 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
8185 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
8186 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
8187 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
8188 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
8189 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
8190 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8191 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
8192 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
8193 r1 = r1 + dr
8194 END DO
8195
8196 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8197 END SUBROUTINE
8198 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_0_exp_0 ( &
8199 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8200 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8201 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8202 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8203 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8204 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8205 r_pow_t, r_tmp, rr1_delta, rr2_delta
8206
8207 REAL(kind=dp) :: c1, c2, c3
8208 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
8209 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
8210 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8211 & h_to_c_3_3
8212 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8213 & e_1_1_2, e_2_1_2, e_3_1_2
8214
8215
8216 dr = lgth
8217 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8218
8219 s_r(:, :, :) = 0.0_dp
8220
8221 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8222
8223 h_to_c_0_0 = sqrt(alpha/pi)
8224
8225 h_to_c_0_1 = 0.0_dp
8226 h_to_c_1_1 = +2*alpha*h_to_c_0_0
8227 h_to_c_0_2 = -1*h_to_c_1_1
8228 h_to_c_1_2 = +2*alpha*h_to_c_0_1
8229 h_to_c_2_2 = +2*alpha*h_to_c_1_1
8230 h_to_c_0_3 = -1*h_to_c_1_2
8231 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8232 h_to_c_2_3 = +2*alpha*h_to_c_1_2
8233 h_to_c_3_3 = +2*alpha*h_to_c_2_2
8234
8235
8236 rr1_delta = (ra - rb)/dr
8237
8238 rr1_l = ceiling(-r_c(1) + rr1_delta)
8239 rr1_r = floor(r_c(1) + rr1_delta)
8240
8241 r1 = rr1_l*dr
8242
8243 alpha_e = zeta*zetb/(zeta + zetb)
8244
8245 DO rr1 = rr1_l, rr1_r
8246 s_r_t_0 = 0.0_dp
8247 s_r_t2_0 = 0.0_dp
8248 s_r_t_1 = 0.0_dp
8249 s_r_t2_1 = 0.0_dp
8250 s_r_t_2 = 0.0_dp
8251 s_r_t2_2 = 0.0_dp
8252 s_r_t_3 = 0.0_dp
8253 s_r_t2_3 = 0.0_dp
8254 r_tmp = r_offset + r1*zeta/(zeta + zetb)
8255 rr2_delta = -r_tmp/dr
8256
8257 rr2_l = ceiling(-r_c(2) + rr2_delta)
8258 rr2_r = floor(r_c(2) + rr2_delta)
8259
8260 r = r_tmp + (rr2_l)*dr
8261
8262
8263 DO rr2 = rr2_l, rr2_r
8264 r_pow_t = 1.0_dp
8265 exp2_rsq = exp(-alpha*r*r)
8266 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8267 r_pow_t = r_pow_t*r
8268 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8269 r_pow_t = r_pow_t*r
8270 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8271 r_pow_t = r_pow_t*r
8272 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8273
8274 r = r + dr
8275 END DO
8276
8277 ! C --> H
8278 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8279 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8280 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8281 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8282 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8283 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8284 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8285 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8286 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8287 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8288
8289 ! H --> HH
8290 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8291
8292 c1 = 1.0_dp/(zeta + zetb)
8293 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8294 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8295
8296 e_0_1_0 = zeta*( &
8297 +c2*e_0_0_0&
8298
8299 )
8300 e_0_0_1 = zetb*( &
8301 +c3*e_0_0_0&
8302
8303 )
8304 e_1_1_0 = zeta*( c1*e_0_0_0 &
8305
8306
8307 )
8308 e_1_0_1 = zetb*( c1*e_0_0_0 &
8309
8310
8311 )
8312 e_0_1_1 = zetb*( &
8313 +c3*e_0_1_0&
8314 +2*e_1_1_0 &
8315 )
8316 e_1_1_1 = zetb*( c1*e_0_1_0 &
8317 +c3*e_1_1_0&
8318
8319 )
8320 e_2_1_1 = zetb*( c1*e_1_1_0 &
8321
8322
8323 )
8324 e_0_1_1 = zeta*( &
8325 +c2*e_0_0_1&
8326 +2*e_1_0_1 &
8327 )
8328 e_0_0_2 = zetb*( &
8329 +c3*e_0_0_1&
8330 +2*e_1_0_1 &
8331 -2*e_0_0_0)
8332 e_1_1_1 = zeta*( c1*e_0_0_1 &
8333 +c2*e_1_0_1&
8334
8335 )
8336 e_1_0_2 = zetb*( c1*e_0_0_1 &
8337 +c3*e_1_0_1&
8338
8339 )
8340 e_2_1_1 = zeta*( c1*e_1_0_1 &
8341
8342
8343 )
8344 e_2_0_2 = zetb*( c1*e_1_0_1 &
8345
8346
8347 )
8348 e_0_1_2 = zetb*( &
8349 +c3*e_0_1_1&
8350 +2*e_1_1_1 &
8351 -2*e_0_1_0)
8352 e_1_1_2 = zetb*( c1*e_0_1_1 &
8353 +c3*e_1_1_1&
8354 +4*e_2_1_1 &
8355 -2*e_1_1_0)
8356 e_2_1_2 = zetb*( c1*e_1_1_1 &
8357 +c3*e_2_1_1&
8358
8359 )
8360 e_3_1_2 = zetb*( c1*e_2_1_1 &
8361
8362
8363 )
8364 e_0_1_2 = zeta*( &
8365 +c2*e_0_0_2&
8366 +2*e_1_0_2 &
8367 )
8368 e_1_1_2 = zeta*( c1*e_0_0_2 &
8369 +c2*e_1_0_2&
8370 +4*e_2_0_2 &
8371 )
8372 e_2_1_2 = zeta*( c1*e_1_0_2 &
8373 +c2*e_2_0_2&
8374
8375 )
8376 e_3_1_2 = zeta*( c1*e_2_0_2 &
8377
8378
8379 )
8380
8381 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8382 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8383 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8384 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8385 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8386 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8387 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8388 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8389 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8390 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8391 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8392 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8393 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8394 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8395 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8396 r1 = r1 + dr
8397 END DO
8398
8399 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8400 END SUBROUTINE
8401 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_1_exp_0 ( &
8402 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8403 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8404 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8405 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8406 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8407 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8408 r_pow_t, r_tmp, rr1_delta, rr2_delta
8409
8410 REAL(kind=dp) :: c1, c2, c3
8411 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
8412 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
8413 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8414 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
8415 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8416 & e_1_1_2, e_2_1_2, e_3_1_2
8417
8418
8419 dr = lgth
8420 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8421
8422 s_r(:, :, :) = 0.0_dp
8423
8424 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8425
8426 h_to_c_0_0 = sqrt(alpha/pi)
8427
8428 h_to_c_0_1 = 0.0_dp
8429 h_to_c_1_1 = +2*alpha*h_to_c_0_0
8430 h_to_c_0_2 = -1*h_to_c_1_1
8431 h_to_c_1_2 = +2*alpha*h_to_c_0_1
8432 h_to_c_2_2 = +2*alpha*h_to_c_1_1
8433 h_to_c_0_3 = -1*h_to_c_1_2
8434 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8435 h_to_c_2_3 = +2*alpha*h_to_c_1_2
8436 h_to_c_3_3 = +2*alpha*h_to_c_2_2
8437 h_to_c_0_4 = -1*h_to_c_1_3
8438 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8439 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8440 h_to_c_3_4 = +2*alpha*h_to_c_2_3
8441 h_to_c_4_4 = +2*alpha*h_to_c_3_3
8442
8443
8444 rr1_delta = (ra - rb)/dr
8445
8446 rr1_l = ceiling(-r_c(1) + rr1_delta)
8447 rr1_r = floor(r_c(1) + rr1_delta)
8448
8449 r1 = rr1_l*dr
8450
8451 alpha_e = zeta*zetb/(zeta + zetb)
8452
8453 DO rr1 = rr1_l, rr1_r
8454 s_r_t_0 = 0.0_dp
8455 s_r_t2_0 = 0.0_dp
8456 s_r_t_1 = 0.0_dp
8457 s_r_t2_1 = 0.0_dp
8458 s_r_t_2 = 0.0_dp
8459 s_r_t2_2 = 0.0_dp
8460 s_r_t_3 = 0.0_dp
8461 s_r_t2_3 = 0.0_dp
8462 s_r_t_4 = 0.0_dp
8463 s_r_t2_4 = 0.0_dp
8464 r_tmp = r_offset + r1*zeta/(zeta + zetb)
8465 rr2_delta = -r_tmp/dr
8466
8467 rr2_l = ceiling(-r_c(2) + rr2_delta)
8468 rr2_r = floor(r_c(2) + rr2_delta)
8469
8470 r = r_tmp + (rr2_l)*dr
8471
8472
8473 DO rr2 = rr2_l, rr2_r
8474 r_pow_t = 1.0_dp
8475 exp2_rsq = exp(-alpha*r*r)
8476 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8477 r_pow_t = r_pow_t*r
8478 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8479 r_pow_t = r_pow_t*r
8480 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8481 r_pow_t = r_pow_t*r
8482 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8483 r_pow_t = r_pow_t*r
8484 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8485
8486 r = r + dr
8487 END DO
8488
8489 ! C --> H
8490 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8491 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8492 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8493 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8494 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8495 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8496 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8497 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8498 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8499 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8500 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8501 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8502 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8503 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8504 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8505
8506 ! H --> HH
8507 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8508
8509 c1 = 1.0_dp/(zeta + zetb)
8510 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8511 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8512
8513 e_0_1_0 = zeta*( &
8514 +c2*e_0_0_0&
8515
8516 )
8517 e_0_0_1 = zetb*( &
8518 +c3*e_0_0_0&
8519
8520 )
8521 e_1_1_0 = zeta*( c1*e_0_0_0 &
8522
8523
8524 )
8525 e_1_0_1 = zetb*( c1*e_0_0_0 &
8526
8527
8528 )
8529 e_0_1_1 = zetb*( &
8530 +c3*e_0_1_0&
8531 +2*e_1_1_0 &
8532 )
8533 e_1_1_1 = zetb*( c1*e_0_1_0 &
8534 +c3*e_1_1_0&
8535
8536 )
8537 e_2_1_1 = zetb*( c1*e_1_1_0 &
8538
8539
8540 )
8541 e_0_1_1 = zeta*( &
8542 +c2*e_0_0_1&
8543 +2*e_1_0_1 &
8544 )
8545 e_0_0_2 = zetb*( &
8546 +c3*e_0_0_1&
8547 +2*e_1_0_1 &
8548 -2*e_0_0_0)
8549 e_1_1_1 = zeta*( c1*e_0_0_1 &
8550 +c2*e_1_0_1&
8551
8552 )
8553 e_1_0_2 = zetb*( c1*e_0_0_1 &
8554 +c3*e_1_0_1&
8555
8556 )
8557 e_2_1_1 = zeta*( c1*e_1_0_1 &
8558
8559
8560 )
8561 e_2_0_2 = zetb*( c1*e_1_0_1 &
8562
8563
8564 )
8565 e_0_1_2 = zetb*( &
8566 +c3*e_0_1_1&
8567 +2*e_1_1_1 &
8568 -2*e_0_1_0)
8569 e_1_1_2 = zetb*( c1*e_0_1_1 &
8570 +c3*e_1_1_1&
8571 +4*e_2_1_1 &
8572 -2*e_1_1_0)
8573 e_2_1_2 = zetb*( c1*e_1_1_1 &
8574 +c3*e_2_1_1&
8575
8576 )
8577 e_3_1_2 = zetb*( c1*e_2_1_1 &
8578
8579
8580 )
8581 e_0_1_2 = zeta*( &
8582 +c2*e_0_0_2&
8583 +2*e_1_0_2 &
8584 )
8585 e_1_1_2 = zeta*( c1*e_0_0_2 &
8586 +c2*e_1_0_2&
8587 +4*e_2_0_2 &
8588 )
8589 e_2_1_2 = zeta*( c1*e_1_0_2 &
8590 +c2*e_2_0_2&
8591
8592 )
8593 e_3_1_2 = zeta*( c1*e_2_0_2 &
8594
8595
8596 )
8597
8598 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8599 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8600 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8601 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8602 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8603 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8604 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8605 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8606 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8607 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8608 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8609 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8610 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8611 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8612 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8613 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8614 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8615 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8616 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8617 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8618 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8619 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8620 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8621 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
8622 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
8623 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
8624 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
8625 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
8626 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
8627 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
8628 r1 = r1 + dr
8629 END DO
8630
8631 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8632 END SUBROUTINE
8633 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_2_exp_0 ( &
8634 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8635 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8636 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8637 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8638 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8639 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8640 r_pow_t, r_tmp, rr1_delta, rr2_delta
8641
8642 REAL(kind=dp) :: c1, c2, c3
8643 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
8644 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
8645 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8646 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
8647 & h_to_c_4_5, h_to_c_5_5
8648 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8649 & e_1_1_2, e_2_1_2, e_3_1_2
8650
8651
8652 dr = lgth
8653 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8654
8655 s_r(:, :, :) = 0.0_dp
8656
8657 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8658
8659 h_to_c_0_0 = sqrt(alpha/pi)
8660
8661 h_to_c_0_1 = 0.0_dp
8662 h_to_c_1_1 = +2*alpha*h_to_c_0_0
8663 h_to_c_0_2 = -1*h_to_c_1_1
8664 h_to_c_1_2 = +2*alpha*h_to_c_0_1
8665 h_to_c_2_2 = +2*alpha*h_to_c_1_1
8666 h_to_c_0_3 = -1*h_to_c_1_2
8667 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8668 h_to_c_2_3 = +2*alpha*h_to_c_1_2
8669 h_to_c_3_3 = +2*alpha*h_to_c_2_2
8670 h_to_c_0_4 = -1*h_to_c_1_3
8671 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8672 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8673 h_to_c_3_4 = +2*alpha*h_to_c_2_3
8674 h_to_c_4_4 = +2*alpha*h_to_c_3_3
8675 h_to_c_0_5 = -1*h_to_c_1_4
8676 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8677 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8678 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8679 h_to_c_4_5 = +2*alpha*h_to_c_3_4
8680 h_to_c_5_5 = +2*alpha*h_to_c_4_4
8681
8682
8683 rr1_delta = (ra - rb)/dr
8684
8685 rr1_l = ceiling(-r_c(1) + rr1_delta)
8686 rr1_r = floor(r_c(1) + rr1_delta)
8687
8688 r1 = rr1_l*dr
8689
8690 alpha_e = zeta*zetb/(zeta + zetb)
8691
8692 DO rr1 = rr1_l, rr1_r
8693 s_r_t_0 = 0.0_dp
8694 s_r_t2_0 = 0.0_dp
8695 s_r_t_1 = 0.0_dp
8696 s_r_t2_1 = 0.0_dp
8697 s_r_t_2 = 0.0_dp
8698 s_r_t2_2 = 0.0_dp
8699 s_r_t_3 = 0.0_dp
8700 s_r_t2_3 = 0.0_dp
8701 s_r_t_4 = 0.0_dp
8702 s_r_t2_4 = 0.0_dp
8703 s_r_t_5 = 0.0_dp
8704 s_r_t2_5 = 0.0_dp
8705 r_tmp = r_offset + r1*zeta/(zeta + zetb)
8706 rr2_delta = -r_tmp/dr
8707
8708 rr2_l = ceiling(-r_c(2) + rr2_delta)
8709 rr2_r = floor(r_c(2) + rr2_delta)
8710
8711 r = r_tmp + (rr2_l)*dr
8712
8713
8714 DO rr2 = rr2_l, rr2_r
8715 r_pow_t = 1.0_dp
8716 exp2_rsq = exp(-alpha*r*r)
8717 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8718 r_pow_t = r_pow_t*r
8719 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8720 r_pow_t = r_pow_t*r
8721 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8722 r_pow_t = r_pow_t*r
8723 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8724 r_pow_t = r_pow_t*r
8725 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8726 r_pow_t = r_pow_t*r
8727 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
8728
8729 r = r + dr
8730 END DO
8731
8732 ! C --> H
8733 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8734 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8735 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8736 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8737 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8738 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8739 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8740 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8741 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8742 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8743 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8744 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8745 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8746 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8747 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8748 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
8749 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
8750 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
8751 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
8752 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
8753 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
8754
8755 ! H --> HH
8756 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8757
8758 c1 = 1.0_dp/(zeta + zetb)
8759 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8760 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8761
8762 e_0_1_0 = zeta*( &
8763 +c2*e_0_0_0&
8764
8765 )
8766 e_0_0_1 = zetb*( &
8767 +c3*e_0_0_0&
8768
8769 )
8770 e_1_1_0 = zeta*( c1*e_0_0_0 &
8771
8772
8773 )
8774 e_1_0_1 = zetb*( c1*e_0_0_0 &
8775
8776
8777 )
8778 e_0_1_1 = zetb*( &
8779 +c3*e_0_1_0&
8780 +2*e_1_1_0 &
8781 )
8782 e_1_1_1 = zetb*( c1*e_0_1_0 &
8783 +c3*e_1_1_0&
8784
8785 )
8786 e_2_1_1 = zetb*( c1*e_1_1_0 &
8787
8788
8789 )
8790 e_0_1_1 = zeta*( &
8791 +c2*e_0_0_1&
8792 +2*e_1_0_1 &
8793 )
8794 e_0_0_2 = zetb*( &
8795 +c3*e_0_0_1&
8796 +2*e_1_0_1 &
8797 -2*e_0_0_0)
8798 e_1_1_1 = zeta*( c1*e_0_0_1 &
8799 +c2*e_1_0_1&
8800
8801 )
8802 e_1_0_2 = zetb*( c1*e_0_0_1 &
8803 +c3*e_1_0_1&
8804
8805 )
8806 e_2_1_1 = zeta*( c1*e_1_0_1 &
8807
8808
8809 )
8810 e_2_0_2 = zetb*( c1*e_1_0_1 &
8811
8812
8813 )
8814 e_0_1_2 = zetb*( &
8815 +c3*e_0_1_1&
8816 +2*e_1_1_1 &
8817 -2*e_0_1_0)
8818 e_1_1_2 = zetb*( c1*e_0_1_1 &
8819 +c3*e_1_1_1&
8820 +4*e_2_1_1 &
8821 -2*e_1_1_0)
8822 e_2_1_2 = zetb*( c1*e_1_1_1 &
8823 +c3*e_2_1_1&
8824
8825 )
8826 e_3_1_2 = zetb*( c1*e_2_1_1 &
8827
8828
8829 )
8830 e_0_1_2 = zeta*( &
8831 +c2*e_0_0_2&
8832 +2*e_1_0_2 &
8833 )
8834 e_1_1_2 = zeta*( c1*e_0_0_2 &
8835 +c2*e_1_0_2&
8836 +4*e_2_0_2 &
8837 )
8838 e_2_1_2 = zeta*( c1*e_1_0_2 &
8839 +c2*e_2_0_2&
8840
8841 )
8842 e_3_1_2 = zeta*( c1*e_2_0_2 &
8843
8844
8845 )
8846
8847 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8848 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8849 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8850 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8851 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8852 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8853 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8854 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8855 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8856 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8857 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8858 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8859 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8860 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8861 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8862 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8863 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8864 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8865 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8866 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8867 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8868 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8869 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8870 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
8871 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
8872 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
8873 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
8874 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
8875 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
8876 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
8877 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
8878 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
8879 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
8880 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
8881 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
8882 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8883 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
8884 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8885 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8886 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
8887 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
8888 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8889 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8890 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
8891 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
8892 r1 = r1 + dr
8893 END DO
8894
8895 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8896 END SUBROUTINE
8897 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_3_exp_0 ( &
8898 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8899 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8900 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8901 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8902 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8903 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8904 r_pow_t, r_tmp, rr1_delta, rr2_delta
8905
8906 REAL(kind=dp) :: c1, c2, c3
8907 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
8908 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
8909 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8910 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
8911 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
8912 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8913 & e_1_1_2, e_2_1_2, e_3_1_2
8914
8915
8916 dr = lgth
8917 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8918
8919 s_r(:, :, :) = 0.0_dp
8920
8921 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8922
8923 h_to_c_0_0 = sqrt(alpha/pi)
8924
8925 h_to_c_0_1 = 0.0_dp
8926 h_to_c_1_1 = +2*alpha*h_to_c_0_0
8927 h_to_c_0_2 = -1*h_to_c_1_1
8928 h_to_c_1_2 = +2*alpha*h_to_c_0_1
8929 h_to_c_2_2 = +2*alpha*h_to_c_1_1
8930 h_to_c_0_3 = -1*h_to_c_1_2
8931 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8932 h_to_c_2_3 = +2*alpha*h_to_c_1_2
8933 h_to_c_3_3 = +2*alpha*h_to_c_2_2
8934 h_to_c_0_4 = -1*h_to_c_1_3
8935 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8936 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8937 h_to_c_3_4 = +2*alpha*h_to_c_2_3
8938 h_to_c_4_4 = +2*alpha*h_to_c_3_3
8939 h_to_c_0_5 = -1*h_to_c_1_4
8940 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8941 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8942 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8943 h_to_c_4_5 = +2*alpha*h_to_c_3_4
8944 h_to_c_5_5 = +2*alpha*h_to_c_4_4
8945 h_to_c_0_6 = -1*h_to_c_1_5
8946 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
8947 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
8948 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
8949 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
8950 h_to_c_5_6 = +2*alpha*h_to_c_4_5
8951 h_to_c_6_6 = +2*alpha*h_to_c_5_5
8952
8953
8954 rr1_delta = (ra - rb)/dr
8955
8956 rr1_l = ceiling(-r_c(1) + rr1_delta)
8957 rr1_r = floor(r_c(1) + rr1_delta)
8958
8959 r1 = rr1_l*dr
8960
8961 alpha_e = zeta*zetb/(zeta + zetb)
8962
8963 DO rr1 = rr1_l, rr1_r
8964 s_r_t_0 = 0.0_dp
8965 s_r_t2_0 = 0.0_dp
8966 s_r_t_1 = 0.0_dp
8967 s_r_t2_1 = 0.0_dp
8968 s_r_t_2 = 0.0_dp
8969 s_r_t2_2 = 0.0_dp
8970 s_r_t_3 = 0.0_dp
8971 s_r_t2_3 = 0.0_dp
8972 s_r_t_4 = 0.0_dp
8973 s_r_t2_4 = 0.0_dp
8974 s_r_t_5 = 0.0_dp
8975 s_r_t2_5 = 0.0_dp
8976 s_r_t_6 = 0.0_dp
8977 s_r_t2_6 = 0.0_dp
8978 r_tmp = r_offset + r1*zeta/(zeta + zetb)
8979 rr2_delta = -r_tmp/dr
8980
8981 rr2_l = ceiling(-r_c(2) + rr2_delta)
8982 rr2_r = floor(r_c(2) + rr2_delta)
8983
8984 r = r_tmp + (rr2_l)*dr
8985
8986
8987 DO rr2 = rr2_l, rr2_r
8988 r_pow_t = 1.0_dp
8989 exp2_rsq = exp(-alpha*r*r)
8990 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8991 r_pow_t = r_pow_t*r
8992 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8993 r_pow_t = r_pow_t*r
8994 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8995 r_pow_t = r_pow_t*r
8996 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8997 r_pow_t = r_pow_t*r
8998 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8999 r_pow_t = r_pow_t*r
9000 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9001 r_pow_t = r_pow_t*r
9002 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
9003
9004 r = r + dr
9005 END DO
9006
9007 ! C --> H
9008 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9009 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9010 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9011 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9012 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9013 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9014 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9015 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9016 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9017 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9018 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9019 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9020 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9021 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9022 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9023 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9024 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9025 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9026 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9027 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9028 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9029 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
9030 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
9031 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
9032 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
9033 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
9034 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
9035 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
9036
9037 ! H --> HH
9038 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9039
9040 c1 = 1.0_dp/(zeta + zetb)
9041 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9042 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9043
9044 e_0_1_0 = zeta*( &
9045 +c2*e_0_0_0&
9046
9047 )
9048 e_0_0_1 = zetb*( &
9049 +c3*e_0_0_0&
9050
9051 )
9052 e_1_1_0 = zeta*( c1*e_0_0_0 &
9053
9054
9055 )
9056 e_1_0_1 = zetb*( c1*e_0_0_0 &
9057
9058
9059 )
9060 e_0_1_1 = zetb*( &
9061 +c3*e_0_1_0&
9062 +2*e_1_1_0 &
9063 )
9064 e_1_1_1 = zetb*( c1*e_0_1_0 &
9065 +c3*e_1_1_0&
9066
9067 )
9068 e_2_1_1 = zetb*( c1*e_1_1_0 &
9069
9070
9071 )
9072 e_0_1_1 = zeta*( &
9073 +c2*e_0_0_1&
9074 +2*e_1_0_1 &
9075 )
9076 e_0_0_2 = zetb*( &
9077 +c3*e_0_0_1&
9078 +2*e_1_0_1 &
9079 -2*e_0_0_0)
9080 e_1_1_1 = zeta*( c1*e_0_0_1 &
9081 +c2*e_1_0_1&
9082
9083 )
9084 e_1_0_2 = zetb*( c1*e_0_0_1 &
9085 +c3*e_1_0_1&
9086
9087 )
9088 e_2_1_1 = zeta*( c1*e_1_0_1 &
9089
9090
9091 )
9092 e_2_0_2 = zetb*( c1*e_1_0_1 &
9093
9094
9095 )
9096 e_0_1_2 = zetb*( &
9097 +c3*e_0_1_1&
9098 +2*e_1_1_1 &
9099 -2*e_0_1_0)
9100 e_1_1_2 = zetb*( c1*e_0_1_1 &
9101 +c3*e_1_1_1&
9102 +4*e_2_1_1 &
9103 -2*e_1_1_0)
9104 e_2_1_2 = zetb*( c1*e_1_1_1 &
9105 +c3*e_2_1_1&
9106
9107 )
9108 e_3_1_2 = zetb*( c1*e_2_1_1 &
9109
9110
9111 )
9112 e_0_1_2 = zeta*( &
9113 +c2*e_0_0_2&
9114 +2*e_1_0_2 &
9115 )
9116 e_1_1_2 = zeta*( c1*e_0_0_2 &
9117 +c2*e_1_0_2&
9118 +4*e_2_0_2 &
9119 )
9120 e_2_1_2 = zeta*( c1*e_1_0_2 &
9121 +c2*e_2_0_2&
9122
9123 )
9124 e_3_1_2 = zeta*( c1*e_2_0_2 &
9125
9126
9127 )
9128
9129 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9130 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9131 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9132 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9133 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9134 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9135 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9136 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9137 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9138 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9139 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9140 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9141 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9142 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9143 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9144 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
9145 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
9146 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
9147 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
9148 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
9149 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
9150 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
9151 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9152 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
9153 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
9154 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9155 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
9156 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
9157 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9158 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9159 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
9160 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
9161 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
9162 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
9163 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
9164 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9165 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
9166 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9167 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9168 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
9169 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9170 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9171 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9172 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9173 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9174 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
9175 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
9176 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
9177 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
9178 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
9179 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9180 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
9181 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
9182 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9183 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
9184 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
9185 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9186 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9187 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
9188 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
9189 r1 = r1 + dr
9190 END DO
9191
9192 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9193 END SUBROUTINE
9194 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_4_exp_0 ( &
9195 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9196 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9197 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9198 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9199 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9200 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9201 r_pow_t, r_tmp, rr1_delta, rr2_delta
9202
9203 REAL(kind=dp) :: c1, c2, c3
9204 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
9205 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
9206 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9207 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
9208 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
9209 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
9210 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9211 & e_1_1_2, e_2_1_2, e_3_1_2
9212
9213
9214 dr = lgth
9215 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9216
9217 s_r(:, :, :) = 0.0_dp
9218
9219 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9220
9221 h_to_c_0_0 = sqrt(alpha/pi)
9222
9223 h_to_c_0_1 = 0.0_dp
9224 h_to_c_1_1 = +2*alpha*h_to_c_0_0
9225 h_to_c_0_2 = -1*h_to_c_1_1
9226 h_to_c_1_2 = +2*alpha*h_to_c_0_1
9227 h_to_c_2_2 = +2*alpha*h_to_c_1_1
9228 h_to_c_0_3 = -1*h_to_c_1_2
9229 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9230 h_to_c_2_3 = +2*alpha*h_to_c_1_2
9231 h_to_c_3_3 = +2*alpha*h_to_c_2_2
9232 h_to_c_0_4 = -1*h_to_c_1_3
9233 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9234 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9235 h_to_c_3_4 = +2*alpha*h_to_c_2_3
9236 h_to_c_4_4 = +2*alpha*h_to_c_3_3
9237 h_to_c_0_5 = -1*h_to_c_1_4
9238 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
9239 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
9240 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
9241 h_to_c_4_5 = +2*alpha*h_to_c_3_4
9242 h_to_c_5_5 = +2*alpha*h_to_c_4_4
9243 h_to_c_0_6 = -1*h_to_c_1_5
9244 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
9245 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
9246 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
9247 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
9248 h_to_c_5_6 = +2*alpha*h_to_c_4_5
9249 h_to_c_6_6 = +2*alpha*h_to_c_5_5
9250 h_to_c_0_7 = -1*h_to_c_1_6
9251 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
9252 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
9253 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
9254 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
9255 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
9256 h_to_c_6_7 = +2*alpha*h_to_c_5_6
9257 h_to_c_7_7 = +2*alpha*h_to_c_6_6
9258
9259
9260 rr1_delta = (ra - rb)/dr
9261
9262 rr1_l = ceiling(-r_c(1) + rr1_delta)
9263 rr1_r = floor(r_c(1) + rr1_delta)
9264
9265 r1 = rr1_l*dr
9266
9267 alpha_e = zeta*zetb/(zeta + zetb)
9268
9269 DO rr1 = rr1_l, rr1_r
9270 s_r_t_0 = 0.0_dp
9271 s_r_t2_0 = 0.0_dp
9272 s_r_t_1 = 0.0_dp
9273 s_r_t2_1 = 0.0_dp
9274 s_r_t_2 = 0.0_dp
9275 s_r_t2_2 = 0.0_dp
9276 s_r_t_3 = 0.0_dp
9277 s_r_t2_3 = 0.0_dp
9278 s_r_t_4 = 0.0_dp
9279 s_r_t2_4 = 0.0_dp
9280 s_r_t_5 = 0.0_dp
9281 s_r_t2_5 = 0.0_dp
9282 s_r_t_6 = 0.0_dp
9283 s_r_t2_6 = 0.0_dp
9284 s_r_t_7 = 0.0_dp
9285 s_r_t2_7 = 0.0_dp
9286 r_tmp = r_offset + r1*zeta/(zeta + zetb)
9287 rr2_delta = -r_tmp/dr
9288
9289 rr2_l = ceiling(-r_c(2) + rr2_delta)
9290 rr2_r = floor(r_c(2) + rr2_delta)
9291
9292 r = r_tmp + (rr2_l)*dr
9293
9294
9295 DO rr2 = rr2_l, rr2_r
9296 r_pow_t = 1.0_dp
9297 exp2_rsq = exp(-alpha*r*r)
9298 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9299 r_pow_t = r_pow_t*r
9300 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9301 r_pow_t = r_pow_t*r
9302 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9303 r_pow_t = r_pow_t*r
9304 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9305 r_pow_t = r_pow_t*r
9306 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9307 r_pow_t = r_pow_t*r
9308 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9309 r_pow_t = r_pow_t*r
9310 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
9311 r_pow_t = r_pow_t*r
9312 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
9313
9314 r = r + dr
9315 END DO
9316
9317 ! C --> H
9318 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9319 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9320 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9321 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9322 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9323 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9324 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9325 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9326 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9327 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9328 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9329 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9330 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9331 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9332 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9333 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9334 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9335 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9336 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9337 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9338 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9339 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
9340 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
9341 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
9342 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
9343 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
9344 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
9345 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
9346 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
9347 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
9348 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
9349 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
9350 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
9351 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
9352 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
9353 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
9354
9355 ! H --> HH
9356 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9357
9358 c1 = 1.0_dp/(zeta + zetb)
9359 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9360 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9361
9362 e_0_1_0 = zeta*( &
9363 +c2*e_0_0_0&
9364
9365 )
9366 e_0_0_1 = zetb*( &
9367 +c3*e_0_0_0&
9368
9369 )
9370 e_1_1_0 = zeta*( c1*e_0_0_0 &
9371
9372
9373 )
9374 e_1_0_1 = zetb*( c1*e_0_0_0 &
9375
9376
9377 )
9378 e_0_1_1 = zetb*( &
9379 +c3*e_0_1_0&
9380 +2*e_1_1_0 &
9381 )
9382 e_1_1_1 = zetb*( c1*e_0_1_0 &
9383 +c3*e_1_1_0&
9384
9385 )
9386 e_2_1_1 = zetb*( c1*e_1_1_0 &
9387
9388
9389 )
9390 e_0_1_1 = zeta*( &
9391 +c2*e_0_0_1&
9392 +2*e_1_0_1 &
9393 )
9394 e_0_0_2 = zetb*( &
9395 +c3*e_0_0_1&
9396 +2*e_1_0_1 &
9397 -2*e_0_0_0)
9398 e_1_1_1 = zeta*( c1*e_0_0_1 &
9399 +c2*e_1_0_1&
9400
9401 )
9402 e_1_0_2 = zetb*( c1*e_0_0_1 &
9403 +c3*e_1_0_1&
9404
9405 )
9406 e_2_1_1 = zeta*( c1*e_1_0_1 &
9407
9408
9409 )
9410 e_2_0_2 = zetb*( c1*e_1_0_1 &
9411
9412
9413 )
9414 e_0_1_2 = zetb*( &
9415 +c3*e_0_1_1&
9416 +2*e_1_1_1 &
9417 -2*e_0_1_0)
9418 e_1_1_2 = zetb*( c1*e_0_1_1 &
9419 +c3*e_1_1_1&
9420 +4*e_2_1_1 &
9421 -2*e_1_1_0)
9422 e_2_1_2 = zetb*( c1*e_1_1_1 &
9423 +c3*e_2_1_1&
9424
9425 )
9426 e_3_1_2 = zetb*( c1*e_2_1_1 &
9427
9428
9429 )
9430 e_0_1_2 = zeta*( &
9431 +c2*e_0_0_2&
9432 +2*e_1_0_2 &
9433 )
9434 e_1_1_2 = zeta*( c1*e_0_0_2 &
9435 +c2*e_1_0_2&
9436 +4*e_2_0_2 &
9437 )
9438 e_2_1_2 = zeta*( c1*e_1_0_2 &
9439 +c2*e_2_0_2&
9440
9441 )
9442 e_3_1_2 = zeta*( c1*e_2_0_2 &
9443
9444
9445 )
9446
9447 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9448 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9449 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9450 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9451 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9452 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9453 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9454 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9455 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9456 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9457 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9458 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9459 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9460 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9461 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9462 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
9463 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
9464 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
9465 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
9466 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
9467 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
9468 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
9469 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9470 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
9471 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
9472 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9473 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
9474 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
9475 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9476 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9477 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
9478 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
9479 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
9480 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
9481 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
9482 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9483 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
9484 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9485 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9486 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
9487 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9488 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9489 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9490 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9491 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9492 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
9493 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
9494 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
9495 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
9496 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
9497 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9498 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
9499 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
9500 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9501 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
9502 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
9503 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9504 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9505 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
9506 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
9507 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
9508 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
9509 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
9510 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
9511 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
9512 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9513 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
9514 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
9515 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9516 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
9517 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
9518 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9519 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9520 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
9521 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
9522 r1 = r1 + dr
9523 END DO
9524
9525 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9526 END SUBROUTINE
9527 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_0_exp_0 ( &
9528 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9529 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9530 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9531 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9532 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9533 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9534 r_pow_t, r_tmp, rr1_delta, rr2_delta
9535
9536 REAL(kind=dp) :: c1, c2, c3
9537 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
9538 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
9539 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9540 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
9541 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9542 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
9543
9544
9545 dr = lgth
9546 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9547
9548 s_r(:, :, :) = 0.0_dp
9549
9550 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9551
9552 h_to_c_0_0 = sqrt(alpha/pi)
9553
9554 h_to_c_0_1 = 0.0_dp
9555 h_to_c_1_1 = +2*alpha*h_to_c_0_0
9556 h_to_c_0_2 = -1*h_to_c_1_1
9557 h_to_c_1_2 = +2*alpha*h_to_c_0_1
9558 h_to_c_2_2 = +2*alpha*h_to_c_1_1
9559 h_to_c_0_3 = -1*h_to_c_1_2
9560 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9561 h_to_c_2_3 = +2*alpha*h_to_c_1_2
9562 h_to_c_3_3 = +2*alpha*h_to_c_2_2
9563 h_to_c_0_4 = -1*h_to_c_1_3
9564 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9565 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9566 h_to_c_3_4 = +2*alpha*h_to_c_2_3
9567 h_to_c_4_4 = +2*alpha*h_to_c_3_3
9568
9569
9570 rr1_delta = (ra - rb)/dr
9571
9572 rr1_l = ceiling(-r_c(1) + rr1_delta)
9573 rr1_r = floor(r_c(1) + rr1_delta)
9574
9575 r1 = rr1_l*dr
9576
9577 alpha_e = zeta*zetb/(zeta + zetb)
9578
9579 DO rr1 = rr1_l, rr1_r
9580 s_r_t_0 = 0.0_dp
9581 s_r_t2_0 = 0.0_dp
9582 s_r_t_1 = 0.0_dp
9583 s_r_t2_1 = 0.0_dp
9584 s_r_t_2 = 0.0_dp
9585 s_r_t2_2 = 0.0_dp
9586 s_r_t_3 = 0.0_dp
9587 s_r_t2_3 = 0.0_dp
9588 s_r_t_4 = 0.0_dp
9589 s_r_t2_4 = 0.0_dp
9590 r_tmp = r_offset + r1*zeta/(zeta + zetb)
9591 rr2_delta = -r_tmp/dr
9592
9593 rr2_l = ceiling(-r_c(2) + rr2_delta)
9594 rr2_r = floor(r_c(2) + rr2_delta)
9595
9596 r = r_tmp + (rr2_l)*dr
9597
9598
9599 DO rr2 = rr2_l, rr2_r
9600 r_pow_t = 1.0_dp
9601 exp2_rsq = exp(-alpha*r*r)
9602 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9603 r_pow_t = r_pow_t*r
9604 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9605 r_pow_t = r_pow_t*r
9606 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9607 r_pow_t = r_pow_t*r
9608 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9609 r_pow_t = r_pow_t*r
9610 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9611
9612 r = r + dr
9613 END DO
9614
9615 ! C --> H
9616 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9617 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9618 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9619 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9620 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9621 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9622 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9623 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9624 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9625 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9626 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9627 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9628 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9629 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9630 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9631
9632 ! H --> HH
9633 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9634
9635 c1 = 1.0_dp/(zeta + zetb)
9636 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9637 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9638
9639 e_0_1_0 = zeta*( &
9640 +c2*e_0_0_0&
9641
9642 )
9643 e_0_0_1 = zetb*( &
9644 +c3*e_0_0_0&
9645
9646 )
9647 e_1_1_0 = zeta*( c1*e_0_0_0 &
9648
9649
9650 )
9651 e_1_0_1 = zetb*( c1*e_0_0_0 &
9652
9653
9654 )
9655 e_0_1_1 = zetb*( &
9656 +c3*e_0_1_0&
9657 +2*e_1_1_0 &
9658 )
9659 e_1_1_1 = zetb*( c1*e_0_1_0 &
9660 +c3*e_1_1_0&
9661
9662 )
9663 e_2_1_1 = zetb*( c1*e_1_1_0 &
9664
9665
9666 )
9667 e_0_1_1 = zeta*( &
9668 +c2*e_0_0_1&
9669 +2*e_1_0_1 &
9670 )
9671 e_0_0_2 = zetb*( &
9672 +c3*e_0_0_1&
9673 +2*e_1_0_1 &
9674 -2*e_0_0_0)
9675 e_1_1_1 = zeta*( c1*e_0_0_1 &
9676 +c2*e_1_0_1&
9677
9678 )
9679 e_1_0_2 = zetb*( c1*e_0_0_1 &
9680 +c3*e_1_0_1&
9681
9682 )
9683 e_2_1_1 = zeta*( c1*e_1_0_1 &
9684
9685
9686 )
9687 e_2_0_2 = zetb*( c1*e_1_0_1 &
9688
9689
9690 )
9691 e_0_1_2 = zetb*( &
9692 +c3*e_0_1_1&
9693 +2*e_1_1_1 &
9694 -2*e_0_1_0)
9695 e_1_1_2 = zetb*( c1*e_0_1_1 &
9696 +c3*e_1_1_1&
9697 +4*e_2_1_1 &
9698 -2*e_1_1_0)
9699 e_2_1_2 = zetb*( c1*e_1_1_1 &
9700 +c3*e_2_1_1&
9701
9702 )
9703 e_3_1_2 = zetb*( c1*e_2_1_1 &
9704
9705
9706 )
9707 e_0_1_2 = zeta*( &
9708 +c2*e_0_0_2&
9709 +2*e_1_0_2 &
9710 )
9711 e_0_0_3 = zetb*( &
9712 +c3*e_0_0_2&
9713 +2*e_1_0_2 &
9714 -4*e_0_0_1)
9715 e_1_1_2 = zeta*( c1*e_0_0_2 &
9716 +c2*e_1_0_2&
9717 +4*e_2_0_2 &
9718 )
9719 e_1_0_3 = zetb*( c1*e_0_0_2 &
9720 +c3*e_1_0_2&
9721 +4*e_2_0_2 &
9722 -4*e_1_0_1)
9723 e_2_1_2 = zeta*( c1*e_1_0_2 &
9724 +c2*e_2_0_2&
9725
9726 )
9727 e_2_0_3 = zetb*( c1*e_1_0_2 &
9728 +c3*e_2_0_2&
9729
9730 )
9731 e_3_1_2 = zeta*( c1*e_2_0_2 &
9732
9733
9734 )
9735 e_3_0_3 = zetb*( c1*e_2_0_2 &
9736
9737
9738 )
9739 e_0_1_3 = zetb*( &
9740 +c3*e_0_1_2&
9741 +2*e_1_1_2 &
9742 -4*e_0_1_1)
9743 e_1_1_3 = zetb*( c1*e_0_1_2 &
9744 +c3*e_1_1_2&
9745 +4*e_2_1_2 &
9746 -4*e_1_1_1)
9747 e_2_1_3 = zetb*( c1*e_1_1_2 &
9748 +c3*e_2_1_2&
9749 +6*e_3_1_2 &
9750 -4*e_2_1_1)
9751 e_3_1_3 = zetb*( c1*e_2_1_2 &
9752 +c3*e_3_1_2&
9753
9754 )
9755 e_4_1_3 = zetb*( c1*e_3_1_2 &
9756
9757
9758 )
9759 e_0_1_3 = zeta*( &
9760 +c2*e_0_0_3&
9761 +2*e_1_0_3 &
9762 )
9763 e_1_1_3 = zeta*( c1*e_0_0_3 &
9764 +c2*e_1_0_3&
9765 +4*e_2_0_3 &
9766 )
9767 e_2_1_3 = zeta*( c1*e_1_0_3 &
9768 +c2*e_2_0_3&
9769 +6*e_3_0_3 &
9770 )
9771 e_3_1_3 = zeta*( c1*e_2_0_3 &
9772 +c2*e_3_0_3&
9773
9774 )
9775 e_4_1_3 = zeta*( c1*e_3_0_3 &
9776
9777
9778 )
9779
9780 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9781 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9782 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9783 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9784 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9785 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9786 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9787 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9788 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9789 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9790 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9791 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9792 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9793 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9794 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9795 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
9796 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
9797 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
9798 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
9799 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
9800 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
9801 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
9802 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
9803 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
9804 r1 = r1 + dr
9805 END DO
9806
9807 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9808 END SUBROUTINE
9809 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_1_exp_0 ( &
9810 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9811 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9812 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9813 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9814 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9815 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9816 r_pow_t, r_tmp, rr1_delta, rr2_delta
9817
9818 REAL(kind=dp) :: c1, c2, c3
9819 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
9820 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
9821 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9822 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
9823 & h_to_c_4_5, h_to_c_5_5
9824 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9825 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
9826
9827
9828 dr = lgth
9829 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9830
9831 s_r(:, :, :) = 0.0_dp
9832
9833 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9834
9835 h_to_c_0_0 = sqrt(alpha/pi)
9836
9837 h_to_c_0_1 = 0.0_dp
9838 h_to_c_1_1 = +2*alpha*h_to_c_0_0
9839 h_to_c_0_2 = -1*h_to_c_1_1
9840 h_to_c_1_2 = +2*alpha*h_to_c_0_1
9841 h_to_c_2_2 = +2*alpha*h_to_c_1_1
9842 h_to_c_0_3 = -1*h_to_c_1_2
9843 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9844 h_to_c_2_3 = +2*alpha*h_to_c_1_2
9845 h_to_c_3_3 = +2*alpha*h_to_c_2_2
9846 h_to_c_0_4 = -1*h_to_c_1_3
9847 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9848 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9849 h_to_c_3_4 = +2*alpha*h_to_c_2_3
9850 h_to_c_4_4 = +2*alpha*h_to_c_3_3
9851 h_to_c_0_5 = -1*h_to_c_1_4
9852 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
9853 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
9854 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
9855 h_to_c_4_5 = +2*alpha*h_to_c_3_4
9856 h_to_c_5_5 = +2*alpha*h_to_c_4_4
9857
9858
9859 rr1_delta = (ra - rb)/dr
9860
9861 rr1_l = ceiling(-r_c(1) + rr1_delta)
9862 rr1_r = floor(r_c(1) + rr1_delta)
9863
9864 r1 = rr1_l*dr
9865
9866 alpha_e = zeta*zetb/(zeta + zetb)
9867
9868 DO rr1 = rr1_l, rr1_r
9869 s_r_t_0 = 0.0_dp
9870 s_r_t2_0 = 0.0_dp
9871 s_r_t_1 = 0.0_dp
9872 s_r_t2_1 = 0.0_dp
9873 s_r_t_2 = 0.0_dp
9874 s_r_t2_2 = 0.0_dp
9875 s_r_t_3 = 0.0_dp
9876 s_r_t2_3 = 0.0_dp
9877 s_r_t_4 = 0.0_dp
9878 s_r_t2_4 = 0.0_dp
9879 s_r_t_5 = 0.0_dp
9880 s_r_t2_5 = 0.0_dp
9881 r_tmp = r_offset + r1*zeta/(zeta + zetb)
9882 rr2_delta = -r_tmp/dr
9883
9884 rr2_l = ceiling(-r_c(2) + rr2_delta)
9885 rr2_r = floor(r_c(2) + rr2_delta)
9886
9887 r = r_tmp + (rr2_l)*dr
9888
9889
9890 DO rr2 = rr2_l, rr2_r
9891 r_pow_t = 1.0_dp
9892 exp2_rsq = exp(-alpha*r*r)
9893 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9894 r_pow_t = r_pow_t*r
9895 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9896 r_pow_t = r_pow_t*r
9897 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9898 r_pow_t = r_pow_t*r
9899 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9900 r_pow_t = r_pow_t*r
9901 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9902 r_pow_t = r_pow_t*r
9903 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9904
9905 r = r + dr
9906 END DO
9907
9908 ! C --> H
9909 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9910 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9911 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9912 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9913 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9914 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9915 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9916 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9917 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9918 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9919 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9920 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9921 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9922 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9923 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9924 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9925 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9926 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9927 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9928 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9929 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9930
9931 ! H --> HH
9932 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9933
9934 c1 = 1.0_dp/(zeta + zetb)
9935 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9936 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9937
9938 e_0_1_0 = zeta*( &
9939 +c2*e_0_0_0&
9940
9941 )
9942 e_0_0_1 = zetb*( &
9943 +c3*e_0_0_0&
9944
9945 )
9946 e_1_1_0 = zeta*( c1*e_0_0_0 &
9947
9948
9949 )
9950 e_1_0_1 = zetb*( c1*e_0_0_0 &
9951
9952
9953 )
9954 e_0_1_1 = zetb*( &
9955 +c3*e_0_1_0&
9956 +2*e_1_1_0 &
9957 )
9958 e_1_1_1 = zetb*( c1*e_0_1_0 &
9959 +c3*e_1_1_0&
9960
9961 )
9962 e_2_1_1 = zetb*( c1*e_1_1_0 &
9963
9964
9965 )
9966 e_0_1_1 = zeta*( &
9967 +c2*e_0_0_1&
9968 +2*e_1_0_1 &
9969 )
9970 e_0_0_2 = zetb*( &
9971 +c3*e_0_0_1&
9972 +2*e_1_0_1 &
9973 -2*e_0_0_0)
9974 e_1_1_1 = zeta*( c1*e_0_0_1 &
9975 +c2*e_1_0_1&
9976
9977 )
9978 e_1_0_2 = zetb*( c1*e_0_0_1 &
9979 +c3*e_1_0_1&
9980
9981 )
9982 e_2_1_1 = zeta*( c1*e_1_0_1 &
9983
9984
9985 )
9986 e_2_0_2 = zetb*( c1*e_1_0_1 &
9987
9988
9989 )
9990 e_0_1_2 = zetb*( &
9991 +c3*e_0_1_1&
9992 +2*e_1_1_1 &
9993 -2*e_0_1_0)
9994 e_1_1_2 = zetb*( c1*e_0_1_1 &
9995 +c3*e_1_1_1&
9996 +4*e_2_1_1 &
9997 -2*e_1_1_0)
9998 e_2_1_2 = zetb*( c1*e_1_1_1 &
9999 +c3*e_2_1_1&
10000
10001 )
10002 e_3_1_2 = zetb*( c1*e_2_1_1 &
10003
10004
10005 )
10006 e_0_1_2 = zeta*( &
10007 +c2*e_0_0_2&
10008 +2*e_1_0_2 &
10009 )
10010 e_0_0_3 = zetb*( &
10011 +c3*e_0_0_2&
10012 +2*e_1_0_2 &
10013 -4*e_0_0_1)
10014 e_1_1_2 = zeta*( c1*e_0_0_2 &
10015 +c2*e_1_0_2&
10016 +4*e_2_0_2 &
10017 )
10018 e_1_0_3 = zetb*( c1*e_0_0_2 &
10019 +c3*e_1_0_2&
10020 +4*e_2_0_2 &
10021 -4*e_1_0_1)
10022 e_2_1_2 = zeta*( c1*e_1_0_2 &
10023 +c2*e_2_0_2&
10024
10025 )
10026 e_2_0_3 = zetb*( c1*e_1_0_2 &
10027 +c3*e_2_0_2&
10028
10029 )
10030 e_3_1_2 = zeta*( c1*e_2_0_2 &
10031
10032
10033 )
10034 e_3_0_3 = zetb*( c1*e_2_0_2 &
10035
10036
10037 )
10038 e_0_1_3 = zetb*( &
10039 +c3*e_0_1_2&
10040 +2*e_1_1_2 &
10041 -4*e_0_1_1)
10042 e_1_1_3 = zetb*( c1*e_0_1_2 &
10043 +c3*e_1_1_2&
10044 +4*e_2_1_2 &
10045 -4*e_1_1_1)
10046 e_2_1_3 = zetb*( c1*e_1_1_2 &
10047 +c3*e_2_1_2&
10048 +6*e_3_1_2 &
10049 -4*e_2_1_1)
10050 e_3_1_3 = zetb*( c1*e_2_1_2 &
10051 +c3*e_3_1_2&
10052
10053 )
10054 e_4_1_3 = zetb*( c1*e_3_1_2 &
10055
10056
10057 )
10058 e_0_1_3 = zeta*( &
10059 +c2*e_0_0_3&
10060 +2*e_1_0_3 &
10061 )
10062 e_1_1_3 = zeta*( c1*e_0_0_3 &
10063 +c2*e_1_0_3&
10064 +4*e_2_0_3 &
10065 )
10066 e_2_1_3 = zeta*( c1*e_1_0_3 &
10067 +c2*e_2_0_3&
10068 +6*e_3_0_3 &
10069 )
10070 e_3_1_3 = zeta*( c1*e_2_0_3 &
10071 +c2*e_3_0_3&
10072
10073 )
10074 e_4_1_3 = zeta*( c1*e_3_0_3 &
10075
10076
10077 )
10078
10079 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10080 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10081 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10082 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10083 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10084 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10085 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10086 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10087 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10088 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10089 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10090 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10091 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10092 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10093 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10094 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10095 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10096 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10097 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10098 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10099 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10100 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10101 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10102 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10103 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10104 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10105 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10106 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10107 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10108 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10109 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10110 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10111 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10112 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10113 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10114 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10115 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10116 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10117 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10118 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10119 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10120 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10121 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10122 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10123 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10124 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10125 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10126 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10127 r1 = r1 + dr
10128 END DO
10129
10130 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10131 END SUBROUTINE
10132 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_2_exp_0 ( &
10133 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10134 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10135 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10136 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10137 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10138 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10139 r_pow_t, r_tmp, rr1_delta, rr2_delta
10140
10141 REAL(kind=dp) :: c1, c2, c3
10142 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
10143 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
10144 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10145 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10146 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
10147 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10148 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10149
10150
10151 dr = lgth
10152 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10153
10154 s_r(:, :, :) = 0.0_dp
10155
10156 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10157
10158 h_to_c_0_0 = sqrt(alpha/pi)
10159
10160 h_to_c_0_1 = 0.0_dp
10161 h_to_c_1_1 = +2*alpha*h_to_c_0_0
10162 h_to_c_0_2 = -1*h_to_c_1_1
10163 h_to_c_1_2 = +2*alpha*h_to_c_0_1
10164 h_to_c_2_2 = +2*alpha*h_to_c_1_1
10165 h_to_c_0_3 = -1*h_to_c_1_2
10166 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10167 h_to_c_2_3 = +2*alpha*h_to_c_1_2
10168 h_to_c_3_3 = +2*alpha*h_to_c_2_2
10169 h_to_c_0_4 = -1*h_to_c_1_3
10170 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10171 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10172 h_to_c_3_4 = +2*alpha*h_to_c_2_3
10173 h_to_c_4_4 = +2*alpha*h_to_c_3_3
10174 h_to_c_0_5 = -1*h_to_c_1_4
10175 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10176 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10177 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10178 h_to_c_4_5 = +2*alpha*h_to_c_3_4
10179 h_to_c_5_5 = +2*alpha*h_to_c_4_4
10180 h_to_c_0_6 = -1*h_to_c_1_5
10181 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10182 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10183 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10184 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10185 h_to_c_5_6 = +2*alpha*h_to_c_4_5
10186 h_to_c_6_6 = +2*alpha*h_to_c_5_5
10187
10188
10189 rr1_delta = (ra - rb)/dr
10190
10191 rr1_l = ceiling(-r_c(1) + rr1_delta)
10192 rr1_r = floor(r_c(1) + rr1_delta)
10193
10194 r1 = rr1_l*dr
10195
10196 alpha_e = zeta*zetb/(zeta + zetb)
10197
10198 DO rr1 = rr1_l, rr1_r
10199 s_r_t_0 = 0.0_dp
10200 s_r_t2_0 = 0.0_dp
10201 s_r_t_1 = 0.0_dp
10202 s_r_t2_1 = 0.0_dp
10203 s_r_t_2 = 0.0_dp
10204 s_r_t2_2 = 0.0_dp
10205 s_r_t_3 = 0.0_dp
10206 s_r_t2_3 = 0.0_dp
10207 s_r_t_4 = 0.0_dp
10208 s_r_t2_4 = 0.0_dp
10209 s_r_t_5 = 0.0_dp
10210 s_r_t2_5 = 0.0_dp
10211 s_r_t_6 = 0.0_dp
10212 s_r_t2_6 = 0.0_dp
10213 r_tmp = r_offset + r1*zeta/(zeta + zetb)
10214 rr2_delta = -r_tmp/dr
10215
10216 rr2_l = ceiling(-r_c(2) + rr2_delta)
10217 rr2_r = floor(r_c(2) + rr2_delta)
10218
10219 r = r_tmp + (rr2_l)*dr
10220
10221
10222 DO rr2 = rr2_l, rr2_r
10223 r_pow_t = 1.0_dp
10224 exp2_rsq = exp(-alpha*r*r)
10225 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
10226 r_pow_t = r_pow_t*r
10227 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
10228 r_pow_t = r_pow_t*r
10229 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
10230 r_pow_t = r_pow_t*r
10231 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
10232 r_pow_t = r_pow_t*r
10233 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
10234 r_pow_t = r_pow_t*r
10235 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
10236 r_pow_t = r_pow_t*r
10237 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
10238
10239 r = r + dr
10240 END DO
10241
10242 ! C --> H
10243 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
10244 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
10245 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
10246 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
10247 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
10248 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
10249 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
10250 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
10251 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
10252 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
10253 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
10254 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
10255 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
10256 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
10257 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
10258 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
10259 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
10260 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
10261 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
10262 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
10263 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
10264 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
10265 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
10266 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
10267 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
10268 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
10269 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
10270 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
10271
10272 ! H --> HH
10273 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
10274
10275 c1 = 1.0_dp/(zeta + zetb)
10276 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
10277 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
10278
10279 e_0_1_0 = zeta*( &
10280 +c2*e_0_0_0&
10281
10282 )
10283 e_0_0_1 = zetb*( &
10284 +c3*e_0_0_0&
10285
10286 )
10287 e_1_1_0 = zeta*( c1*e_0_0_0 &
10288
10289
10290 )
10291 e_1_0_1 = zetb*( c1*e_0_0_0 &
10292
10293
10294 )
10295 e_0_1_1 = zetb*( &
10296 +c3*e_0_1_0&
10297 +2*e_1_1_0 &
10298 )
10299 e_1_1_1 = zetb*( c1*e_0_1_0 &
10300 +c3*e_1_1_0&
10301
10302 )
10303 e_2_1_1 = zetb*( c1*e_1_1_0 &
10304
10305
10306 )
10307 e_0_1_1 = zeta*( &
10308 +c2*e_0_0_1&
10309 +2*e_1_0_1 &
10310 )
10311 e_0_0_2 = zetb*( &
10312 +c3*e_0_0_1&
10313 +2*e_1_0_1 &
10314 -2*e_0_0_0)
10315 e_1_1_1 = zeta*( c1*e_0_0_1 &
10316 +c2*e_1_0_1&
10317
10318 )
10319 e_1_0_2 = zetb*( c1*e_0_0_1 &
10320 +c3*e_1_0_1&
10321
10322 )
10323 e_2_1_1 = zeta*( c1*e_1_0_1 &
10324
10325
10326 )
10327 e_2_0_2 = zetb*( c1*e_1_0_1 &
10328
10329
10330 )
10331 e_0_1_2 = zetb*( &
10332 +c3*e_0_1_1&
10333 +2*e_1_1_1 &
10334 -2*e_0_1_0)
10335 e_1_1_2 = zetb*( c1*e_0_1_1 &
10336 +c3*e_1_1_1&
10337 +4*e_2_1_1 &
10338 -2*e_1_1_0)
10339 e_2_1_2 = zetb*( c1*e_1_1_1 &
10340 +c3*e_2_1_1&
10341
10342 )
10343 e_3_1_2 = zetb*( c1*e_2_1_1 &
10344
10345
10346 )
10347 e_0_1_2 = zeta*( &
10348 +c2*e_0_0_2&
10349 +2*e_1_0_2 &
10350 )
10351 e_0_0_3 = zetb*( &
10352 +c3*e_0_0_2&
10353 +2*e_1_0_2 &
10354 -4*e_0_0_1)
10355 e_1_1_2 = zeta*( c1*e_0_0_2 &
10356 +c2*e_1_0_2&
10357 +4*e_2_0_2 &
10358 )
10359 e_1_0_3 = zetb*( c1*e_0_0_2 &
10360 +c3*e_1_0_2&
10361 +4*e_2_0_2 &
10362 -4*e_1_0_1)
10363 e_2_1_2 = zeta*( c1*e_1_0_2 &
10364 +c2*e_2_0_2&
10365
10366 )
10367 e_2_0_3 = zetb*( c1*e_1_0_2 &
10368 +c3*e_2_0_2&
10369
10370 )
10371 e_3_1_2 = zeta*( c1*e_2_0_2 &
10372
10373
10374 )
10375 e_3_0_3 = zetb*( c1*e_2_0_2 &
10376
10377
10378 )
10379 e_0_1_3 = zetb*( &
10380 +c3*e_0_1_2&
10381 +2*e_1_1_2 &
10382 -4*e_0_1_1)
10383 e_1_1_3 = zetb*( c1*e_0_1_2 &
10384 +c3*e_1_1_2&
10385 +4*e_2_1_2 &
10386 -4*e_1_1_1)
10387 e_2_1_3 = zetb*( c1*e_1_1_2 &
10388 +c3*e_2_1_2&
10389 +6*e_3_1_2 &
10390 -4*e_2_1_1)
10391 e_3_1_3 = zetb*( c1*e_2_1_2 &
10392 +c3*e_3_1_2&
10393
10394 )
10395 e_4_1_3 = zetb*( c1*e_3_1_2 &
10396
10397
10398 )
10399 e_0_1_3 = zeta*( &
10400 +c2*e_0_0_3&
10401 +2*e_1_0_3 &
10402 )
10403 e_1_1_3 = zeta*( c1*e_0_0_3 &
10404 +c2*e_1_0_3&
10405 +4*e_2_0_3 &
10406 )
10407 e_2_1_3 = zeta*( c1*e_1_0_3 &
10408 +c2*e_2_0_3&
10409 +6*e_3_0_3 &
10410 )
10411 e_3_1_3 = zeta*( c1*e_2_0_3 &
10412 +c2*e_3_0_3&
10413
10414 )
10415 e_4_1_3 = zeta*( c1*e_3_0_3 &
10416
10417
10418 )
10419
10420 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10421 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10422 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10423 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10424 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10425 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10426 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10427 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10428 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10429 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10430 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10431 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10432 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10433 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10434 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10435 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10436 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10437 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10438 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10439 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10440 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10441 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10442 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10443 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10444 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10445 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10446 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10447 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10448 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10449 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10450 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10451 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10452 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10453 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10454 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10455 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10456 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10457 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10458 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10459 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10460 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10461 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10462 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10463 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10464 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10465 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10466 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10467 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10468 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
10469 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
10470 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
10471 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
10472 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
10473 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10474 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
10475 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
10476 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10477 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
10478 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
10479 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10480 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10481 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
10482 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
10483 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10484 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10485 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
10486 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
10487 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10488 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10489 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10490 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
10491 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
10492 r1 = r1 + dr
10493 END DO
10494
10495 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10496 END SUBROUTINE
10497 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_3_exp_0 ( &
10498 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10499 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10500 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10501 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10502 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10503 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10504 r_pow_t, r_tmp, rr1_delta, rr2_delta
10505
10506 REAL(kind=dp) :: c1, c2, c3
10507 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
10508 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
10509 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10510 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10511 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
10512 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
10513 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10514 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10515
10516
10517 dr = lgth
10518 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10519
10520 s_r(:, :, :) = 0.0_dp
10521
10522 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10523
10524 h_to_c_0_0 = sqrt(alpha/pi)
10525
10526 h_to_c_0_1 = 0.0_dp
10527 h_to_c_1_1 = +2*alpha*h_to_c_0_0
10528 h_to_c_0_2 = -1*h_to_c_1_1
10529 h_to_c_1_2 = +2*alpha*h_to_c_0_1
10530 h_to_c_2_2 = +2*alpha*h_to_c_1_1
10531 h_to_c_0_3 = -1*h_to_c_1_2
10532 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10533 h_to_c_2_3 = +2*alpha*h_to_c_1_2
10534 h_to_c_3_3 = +2*alpha*h_to_c_2_2
10535 h_to_c_0_4 = -1*h_to_c_1_3
10536 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10537 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10538 h_to_c_3_4 = +2*alpha*h_to_c_2_3
10539 h_to_c_4_4 = +2*alpha*h_to_c_3_3
10540 h_to_c_0_5 = -1*h_to_c_1_4
10541 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10542 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10543 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10544 h_to_c_4_5 = +2*alpha*h_to_c_3_4
10545 h_to_c_5_5 = +2*alpha*h_to_c_4_4
10546 h_to_c_0_6 = -1*h_to_c_1_5
10547 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10548 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10549 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10550 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10551 h_to_c_5_6 = +2*alpha*h_to_c_4_5
10552 h_to_c_6_6 = +2*alpha*h_to_c_5_5
10553 h_to_c_0_7 = -1*h_to_c_1_6
10554 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
10555 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
10556 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
10557 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
10558 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
10559 h_to_c_6_7 = +2*alpha*h_to_c_5_6
10560 h_to_c_7_7 = +2*alpha*h_to_c_6_6
10561
10562
10563 rr1_delta = (ra - rb)/dr
10564
10565 rr1_l = ceiling(-r_c(1) + rr1_delta)
10566 rr1_r = floor(r_c(1) + rr1_delta)
10567
10568 r1 = rr1_l*dr
10569
10570 alpha_e = zeta*zetb/(zeta + zetb)
10571
10572 DO rr1 = rr1_l, rr1_r
10573 s_r_t_0 = 0.0_dp
10574 s_r_t2_0 = 0.0_dp
10575 s_r_t_1 = 0.0_dp
10576 s_r_t2_1 = 0.0_dp
10577 s_r_t_2 = 0.0_dp
10578 s_r_t2_2 = 0.0_dp
10579 s_r_t_3 = 0.0_dp
10580 s_r_t2_3 = 0.0_dp
10581 s_r_t_4 = 0.0_dp
10582 s_r_t2_4 = 0.0_dp
10583 s_r_t_5 = 0.0_dp
10584 s_r_t2_5 = 0.0_dp
10585 s_r_t_6 = 0.0_dp
10586 s_r_t2_6 = 0.0_dp
10587 s_r_t_7 = 0.0_dp
10588 s_r_t2_7 = 0.0_dp
10589 r_tmp = r_offset + r1*zeta/(zeta + zetb)
10590 rr2_delta = -r_tmp/dr
10591
10592 rr2_l = ceiling(-r_c(2) + rr2_delta)
10593 rr2_r = floor(r_c(2) + rr2_delta)
10594
10595 r = r_tmp + (rr2_l)*dr
10596
10597
10598 DO rr2 = rr2_l, rr2_r
10599 r_pow_t = 1.0_dp
10600 exp2_rsq = exp(-alpha*r*r)
10601 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
10602 r_pow_t = r_pow_t*r
10603 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
10604 r_pow_t = r_pow_t*r
10605 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
10606 r_pow_t = r_pow_t*r
10607 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
10608 r_pow_t = r_pow_t*r
10609 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
10610 r_pow_t = r_pow_t*r
10611 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
10612 r_pow_t = r_pow_t*r
10613 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
10614 r_pow_t = r_pow_t*r
10615 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
10616
10617 r = r + dr
10618 END DO
10619
10620 ! C --> H
10621 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
10622 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
10623 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
10624 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
10625 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
10626 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
10627 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
10628 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
10629 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
10630 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
10631 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
10632 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
10633 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
10634 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
10635 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
10636 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
10637 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
10638 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
10639 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
10640 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
10641 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
10642 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
10643 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
10644 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
10645 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
10646 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
10647 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
10648 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
10649 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
10650 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
10651 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
10652 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
10653 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
10654 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
10655 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
10656 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
10657
10658 ! H --> HH
10659 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
10660
10661 c1 = 1.0_dp/(zeta + zetb)
10662 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
10663 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
10664
10665 e_0_1_0 = zeta*( &
10666 +c2*e_0_0_0&
10667
10668 )
10669 e_0_0_1 = zetb*( &
10670 +c3*e_0_0_0&
10671
10672 )
10673 e_1_1_0 = zeta*( c1*e_0_0_0 &
10674
10675
10676 )
10677 e_1_0_1 = zetb*( c1*e_0_0_0 &
10678
10679
10680 )
10681 e_0_1_1 = zetb*( &
10682 +c3*e_0_1_0&
10683 +2*e_1_1_0 &
10684 )
10685 e_1_1_1 = zetb*( c1*e_0_1_0 &
10686 +c3*e_1_1_0&
10687
10688 )
10689 e_2_1_1 = zetb*( c1*e_1_1_0 &
10690
10691
10692 )
10693 e_0_1_1 = zeta*( &
10694 +c2*e_0_0_1&
10695 +2*e_1_0_1 &
10696 )
10697 e_0_0_2 = zetb*( &
10698 +c3*e_0_0_1&
10699 +2*e_1_0_1 &
10700 -2*e_0_0_0)
10701 e_1_1_1 = zeta*( c1*e_0_0_1 &
10702 +c2*e_1_0_1&
10703
10704 )
10705 e_1_0_2 = zetb*( c1*e_0_0_1 &
10706 +c3*e_1_0_1&
10707
10708 )
10709 e_2_1_1 = zeta*( c1*e_1_0_1 &
10710
10711
10712 )
10713 e_2_0_2 = zetb*( c1*e_1_0_1 &
10714
10715
10716 )
10717 e_0_1_2 = zetb*( &
10718 +c3*e_0_1_1&
10719 +2*e_1_1_1 &
10720 -2*e_0_1_0)
10721 e_1_1_2 = zetb*( c1*e_0_1_1 &
10722 +c3*e_1_1_1&
10723 +4*e_2_1_1 &
10724 -2*e_1_1_0)
10725 e_2_1_2 = zetb*( c1*e_1_1_1 &
10726 +c3*e_2_1_1&
10727
10728 )
10729 e_3_1_2 = zetb*( c1*e_2_1_1 &
10730
10731
10732 )
10733 e_0_1_2 = zeta*( &
10734 +c2*e_0_0_2&
10735 +2*e_1_0_2 &
10736 )
10737 e_0_0_3 = zetb*( &
10738 +c3*e_0_0_2&
10739 +2*e_1_0_2 &
10740 -4*e_0_0_1)
10741 e_1_1_2 = zeta*( c1*e_0_0_2 &
10742 +c2*e_1_0_2&
10743 +4*e_2_0_2 &
10744 )
10745 e_1_0_3 = zetb*( c1*e_0_0_2 &
10746 +c3*e_1_0_2&
10747 +4*e_2_0_2 &
10748 -4*e_1_0_1)
10749 e_2_1_2 = zeta*( c1*e_1_0_2 &
10750 +c2*e_2_0_2&
10751
10752 )
10753 e_2_0_3 = zetb*( c1*e_1_0_2 &
10754 +c3*e_2_0_2&
10755
10756 )
10757 e_3_1_2 = zeta*( c1*e_2_0_2 &
10758
10759
10760 )
10761 e_3_0_3 = zetb*( c1*e_2_0_2 &
10762
10763
10764 )
10765 e_0_1_3 = zetb*( &
10766 +c3*e_0_1_2&
10767 +2*e_1_1_2 &
10768 -4*e_0_1_1)
10769 e_1_1_3 = zetb*( c1*e_0_1_2 &
10770 +c3*e_1_1_2&
10771 +4*e_2_1_2 &
10772 -4*e_1_1_1)
10773 e_2_1_3 = zetb*( c1*e_1_1_2 &
10774 +c3*e_2_1_2&
10775 +6*e_3_1_2 &
10776 -4*e_2_1_1)
10777 e_3_1_3 = zetb*( c1*e_2_1_2 &
10778 +c3*e_3_1_2&
10779
10780 )
10781 e_4_1_3 = zetb*( c1*e_3_1_2 &
10782
10783
10784 )
10785 e_0_1_3 = zeta*( &
10786 +c2*e_0_0_3&
10787 +2*e_1_0_3 &
10788 )
10789 e_1_1_3 = zeta*( c1*e_0_0_3 &
10790 +c2*e_1_0_3&
10791 +4*e_2_0_3 &
10792 )
10793 e_2_1_3 = zeta*( c1*e_1_0_3 &
10794 +c2*e_2_0_3&
10795 +6*e_3_0_3 &
10796 )
10797 e_3_1_3 = zeta*( c1*e_2_0_3 &
10798 +c2*e_3_0_3&
10799
10800 )
10801 e_4_1_3 = zeta*( c1*e_3_0_3 &
10802
10803
10804 )
10805
10806 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10807 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10808 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10809 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10810 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10811 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10812 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10813 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10814 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10815 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10816 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10817 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10818 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10819 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10820 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10821 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10822 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10823 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10824 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10825 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10826 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10827 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10828 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10829 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10830 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10831 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10832 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10833 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10834 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10835 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10836 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10837 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10838 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10839 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10840 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10841 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10842 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10843 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10844 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10845 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10846 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10847 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10848 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10849 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10850 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10851 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10852 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10853 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10854 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
10855 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
10856 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
10857 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
10858 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
10859 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10860 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
10861 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
10862 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10863 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
10864 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
10865 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10866 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10867 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
10868 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
10869 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10870 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10871 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
10872 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
10873 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10874 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10875 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10876 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
10877 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
10878 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
10879 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
10880 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
10881 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
10882 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
10883 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10884 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
10885 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
10886 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10887 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
10888 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
10889 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10890 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10891 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
10892 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
10893 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10894 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10895 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
10896 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
10897 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10898 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10899 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10900 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
10901 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
10902 r1 = r1 + dr
10903 END DO
10904
10905 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10906 END SUBROUTINE
10907 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_4_exp_0 ( &
10908 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10909 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10910 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10911 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10912 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10913 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10914 r_pow_t, r_tmp, rr1_delta, rr2_delta
10915
10916 REAL(kind=dp) :: c1, c2, c3
10917 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
10918 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
10919 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10920 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10921 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
10922 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
10923 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
10924 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10925 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10926
10927
10928 dr = lgth
10929 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10930
10931 s_r(:, :, :) = 0.0_dp
10932
10933 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10934
10935 h_to_c_0_0 = sqrt(alpha/pi)
10936
10937 h_to_c_0_1 = 0.0_dp
10938 h_to_c_1_1 = +2*alpha*h_to_c_0_0
10939 h_to_c_0_2 = -1*h_to_c_1_1
10940 h_to_c_1_2 = +2*alpha*h_to_c_0_1
10941 h_to_c_2_2 = +2*alpha*h_to_c_1_1
10942 h_to_c_0_3 = -1*h_to_c_1_2
10943 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10944 h_to_c_2_3 = +2*alpha*h_to_c_1_2
10945 h_to_c_3_3 = +2*alpha*h_to_c_2_2
10946 h_to_c_0_4 = -1*h_to_c_1_3
10947 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10948 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10949 h_to_c_3_4 = +2*alpha*h_to_c_2_3
10950 h_to_c_4_4 = +2*alpha*h_to_c_3_3
10951 h_to_c_0_5 = -1*h_to_c_1_4
10952 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10953 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10954 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10955 h_to_c_4_5 = +2*alpha*h_to_c_3_4
10956 h_to_c_5_5 = +2*alpha*h_to_c_4_4
10957 h_to_c_0_6 = -1*h_to_c_1_5
10958 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10959 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10960 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10961 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10962 h_to_c_5_6 = +2*alpha*h_to_c_4_5
10963 h_to_c_6_6 = +2*alpha*h_to_c_5_5
10964 h_to_c_0_7 = -1*h_to_c_1_6
10965 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
10966 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
10967 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
10968 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
10969 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
10970 h_to_c_6_7 = +2*alpha*h_to_c_5_6
10971 h_to_c_7_7 = +2*alpha*h_to_c_6_6
10972 h_to_c_0_8 = -1*h_to_c_1_7
10973 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
10974 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
10975 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
10976 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
10977 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
10978 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
10979 h_to_c_7_8 = +2*alpha*h_to_c_6_7
10980 h_to_c_8_8 = +2*alpha*h_to_c_7_7
10981
10982
10983 rr1_delta = (ra - rb)/dr
10984
10985 rr1_l = ceiling(-r_c(1) + rr1_delta)
10986 rr1_r = floor(r_c(1) + rr1_delta)
10987
10988 r1 = rr1_l*dr
10989
10990 alpha_e = zeta*zetb/(zeta + zetb)
10991
10992 DO rr1 = rr1_l, rr1_r
10993 s_r_t_0 = 0.0_dp
10994 s_r_t2_0 = 0.0_dp
10995 s_r_t_1 = 0.0_dp
10996 s_r_t2_1 = 0.0_dp
10997 s_r_t_2 = 0.0_dp
10998 s_r_t2_2 = 0.0_dp
10999 s_r_t_3 = 0.0_dp
11000 s_r_t2_3 = 0.0_dp
11001 s_r_t_4 = 0.0_dp
11002 s_r_t2_4 = 0.0_dp
11003 s_r_t_5 = 0.0_dp
11004 s_r_t2_5 = 0.0_dp
11005 s_r_t_6 = 0.0_dp
11006 s_r_t2_6 = 0.0_dp
11007 s_r_t_7 = 0.0_dp
11008 s_r_t2_7 = 0.0_dp
11009 s_r_t_8 = 0.0_dp
11010 s_r_t2_8 = 0.0_dp
11011 r_tmp = r_offset + r1*zeta/(zeta + zetb)
11012 rr2_delta = -r_tmp/dr
11013
11014 rr2_l = ceiling(-r_c(2) + rr2_delta)
11015 rr2_r = floor(r_c(2) + rr2_delta)
11016
11017 r = r_tmp + (rr2_l)*dr
11018
11019
11020 DO rr2 = rr2_l, rr2_r
11021 r_pow_t = 1.0_dp
11022 exp2_rsq = exp(-alpha*r*r)
11023 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11024 r_pow_t = r_pow_t*r
11025 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11026 r_pow_t = r_pow_t*r
11027 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11028 r_pow_t = r_pow_t*r
11029 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11030 r_pow_t = r_pow_t*r
11031 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11032 r_pow_t = r_pow_t*r
11033 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11034 r_pow_t = r_pow_t*r
11035 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
11036 r_pow_t = r_pow_t*r
11037 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
11038 r_pow_t = r_pow_t*r
11039 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
11040
11041 r = r + dr
11042 END DO
11043
11044 ! C --> H
11045 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11046 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11047 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11048 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11049 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11050 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11051 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11052 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11053 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11054 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11055 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11056 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11057 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11058 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11059 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11060 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11061 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11062 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11063 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11064 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11065 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11066 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
11067 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
11068 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
11069 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
11070 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
11071 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
11072 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
11073 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
11074 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
11075 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
11076 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
11077 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
11078 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
11079 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
11080 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
11081 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
11082 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
11083 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
11084 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
11085 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
11086 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
11087 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
11088 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
11089 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
11090
11091 ! H --> HH
11092 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11093
11094 c1 = 1.0_dp/(zeta + zetb)
11095 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11096 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11097
11098 e_0_1_0 = zeta*( &
11099 +c2*e_0_0_0&
11100
11101 )
11102 e_0_0_1 = zetb*( &
11103 +c3*e_0_0_0&
11104
11105 )
11106 e_1_1_0 = zeta*( c1*e_0_0_0 &
11107
11108
11109 )
11110 e_1_0_1 = zetb*( c1*e_0_0_0 &
11111
11112
11113 )
11114 e_0_1_1 = zetb*( &
11115 +c3*e_0_1_0&
11116 +2*e_1_1_0 &
11117 )
11118 e_1_1_1 = zetb*( c1*e_0_1_0 &
11119 +c3*e_1_1_0&
11120
11121 )
11122 e_2_1_1 = zetb*( c1*e_1_1_0 &
11123
11124
11125 )
11126 e_0_1_1 = zeta*( &
11127 +c2*e_0_0_1&
11128 +2*e_1_0_1 &
11129 )
11130 e_0_0_2 = zetb*( &
11131 +c3*e_0_0_1&
11132 +2*e_1_0_1 &
11133 -2*e_0_0_0)
11134 e_1_1_1 = zeta*( c1*e_0_0_1 &
11135 +c2*e_1_0_1&
11136
11137 )
11138 e_1_0_2 = zetb*( c1*e_0_0_1 &
11139 +c3*e_1_0_1&
11140
11141 )
11142 e_2_1_1 = zeta*( c1*e_1_0_1 &
11143
11144
11145 )
11146 e_2_0_2 = zetb*( c1*e_1_0_1 &
11147
11148
11149 )
11150 e_0_1_2 = zetb*( &
11151 +c3*e_0_1_1&
11152 +2*e_1_1_1 &
11153 -2*e_0_1_0)
11154 e_1_1_2 = zetb*( c1*e_0_1_1 &
11155 +c3*e_1_1_1&
11156 +4*e_2_1_1 &
11157 -2*e_1_1_0)
11158 e_2_1_2 = zetb*( c1*e_1_1_1 &
11159 +c3*e_2_1_1&
11160
11161 )
11162 e_3_1_2 = zetb*( c1*e_2_1_1 &
11163
11164
11165 )
11166 e_0_1_2 = zeta*( &
11167 +c2*e_0_0_2&
11168 +2*e_1_0_2 &
11169 )
11170 e_0_0_3 = zetb*( &
11171 +c3*e_0_0_2&
11172 +2*e_1_0_2 &
11173 -4*e_0_0_1)
11174 e_1_1_2 = zeta*( c1*e_0_0_2 &
11175 +c2*e_1_0_2&
11176 +4*e_2_0_2 &
11177 )
11178 e_1_0_3 = zetb*( c1*e_0_0_2 &
11179 +c3*e_1_0_2&
11180 +4*e_2_0_2 &
11181 -4*e_1_0_1)
11182 e_2_1_2 = zeta*( c1*e_1_0_2 &
11183 +c2*e_2_0_2&
11184
11185 )
11186 e_2_0_3 = zetb*( c1*e_1_0_2 &
11187 +c3*e_2_0_2&
11188
11189 )
11190 e_3_1_2 = zeta*( c1*e_2_0_2 &
11191
11192
11193 )
11194 e_3_0_3 = zetb*( c1*e_2_0_2 &
11195
11196
11197 )
11198 e_0_1_3 = zetb*( &
11199 +c3*e_0_1_2&
11200 +2*e_1_1_2 &
11201 -4*e_0_1_1)
11202 e_1_1_3 = zetb*( c1*e_0_1_2 &
11203 +c3*e_1_1_2&
11204 +4*e_2_1_2 &
11205 -4*e_1_1_1)
11206 e_2_1_3 = zetb*( c1*e_1_1_2 &
11207 +c3*e_2_1_2&
11208 +6*e_3_1_2 &
11209 -4*e_2_1_1)
11210 e_3_1_3 = zetb*( c1*e_2_1_2 &
11211 +c3*e_3_1_2&
11212
11213 )
11214 e_4_1_3 = zetb*( c1*e_3_1_2 &
11215
11216
11217 )
11218 e_0_1_3 = zeta*( &
11219 +c2*e_0_0_3&
11220 +2*e_1_0_3 &
11221 )
11222 e_1_1_3 = zeta*( c1*e_0_0_3 &
11223 +c2*e_1_0_3&
11224 +4*e_2_0_3 &
11225 )
11226 e_2_1_3 = zeta*( c1*e_1_0_3 &
11227 +c2*e_2_0_3&
11228 +6*e_3_0_3 &
11229 )
11230 e_3_1_3 = zeta*( c1*e_2_0_3 &
11231 +c2*e_3_0_3&
11232
11233 )
11234 e_4_1_3 = zeta*( c1*e_3_0_3 &
11235
11236
11237 )
11238
11239 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
11240 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
11241 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
11242 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
11243 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
11244 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
11245 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
11246 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11247 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
11248 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
11249 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11250 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
11251 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
11252 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11253 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11254 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
11255 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
11256 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11257 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11258 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
11259 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
11260 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11261 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11262 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11263 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
11264 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
11265 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
11266 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
11267 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
11268 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
11269 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
11270 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
11271 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
11272 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
11273 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
11274 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
11275 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
11276 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
11277 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
11278 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
11279 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
11280 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
11281 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
11282 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
11283 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
11284 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
11285 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
11286 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
11287 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
11288 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
11289 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
11290 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
11291 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
11292 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11293 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
11294 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
11295 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11296 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
11297 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
11298 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11299 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11300 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
11301 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
11302 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11303 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11304 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
11305 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
11306 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11307 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11308 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11309 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
11310 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
11311 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
11312 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
11313 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
11314 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
11315 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
11316 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
11317 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
11318 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
11319 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
11320 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
11321 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
11322 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
11323 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
11324 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
11325 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
11326 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
11327 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
11328 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
11329 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
11330 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
11331 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
11332 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
11333 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
11334 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
11335 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
11336 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
11337 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
11338 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
11339 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
11340 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
11341 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
11342 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
11343 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
11344 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
11345 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
11346 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
11347 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
11348 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
11349 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
11350 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
11351 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
11352 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
11353 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
11354 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11355 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
11356 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
11357 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
11358 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
11359 r1 = r1 + dr
11360 END DO
11361
11362 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
11363 END SUBROUTINE
11364 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_0_exp_0 ( &
11365 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
11366 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
11367 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
11368 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
11369 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
11370 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
11371 r_pow_t, r_tmp, rr1_delta, rr2_delta
11372
11373 REAL(kind=dp) :: c1, c2, c3
11374 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
11375 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
11376 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
11377 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
11378 & h_to_c_4_5, h_to_c_5_5
11379 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
11380 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
11381 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
11382
11383
11384 dr = lgth
11385 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
11386
11387 s_r(:, :, :) = 0.0_dp
11388
11389 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
11390
11391 h_to_c_0_0 = sqrt(alpha/pi)
11392
11393 h_to_c_0_1 = 0.0_dp
11394 h_to_c_1_1 = +2*alpha*h_to_c_0_0
11395 h_to_c_0_2 = -1*h_to_c_1_1
11396 h_to_c_1_2 = +2*alpha*h_to_c_0_1
11397 h_to_c_2_2 = +2*alpha*h_to_c_1_1
11398 h_to_c_0_3 = -1*h_to_c_1_2
11399 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
11400 h_to_c_2_3 = +2*alpha*h_to_c_1_2
11401 h_to_c_3_3 = +2*alpha*h_to_c_2_2
11402 h_to_c_0_4 = -1*h_to_c_1_3
11403 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
11404 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
11405 h_to_c_3_4 = +2*alpha*h_to_c_2_3
11406 h_to_c_4_4 = +2*alpha*h_to_c_3_3
11407 h_to_c_0_5 = -1*h_to_c_1_4
11408 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
11409 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
11410 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
11411 h_to_c_4_5 = +2*alpha*h_to_c_3_4
11412 h_to_c_5_5 = +2*alpha*h_to_c_4_4
11413
11414
11415 rr1_delta = (ra - rb)/dr
11416
11417 rr1_l = ceiling(-r_c(1) + rr1_delta)
11418 rr1_r = floor(r_c(1) + rr1_delta)
11419
11420 r1 = rr1_l*dr
11421
11422 alpha_e = zeta*zetb/(zeta + zetb)
11423
11424 DO rr1 = rr1_l, rr1_r
11425 s_r_t_0 = 0.0_dp
11426 s_r_t2_0 = 0.0_dp
11427 s_r_t_1 = 0.0_dp
11428 s_r_t2_1 = 0.0_dp
11429 s_r_t_2 = 0.0_dp
11430 s_r_t2_2 = 0.0_dp
11431 s_r_t_3 = 0.0_dp
11432 s_r_t2_3 = 0.0_dp
11433 s_r_t_4 = 0.0_dp
11434 s_r_t2_4 = 0.0_dp
11435 s_r_t_5 = 0.0_dp
11436 s_r_t2_5 = 0.0_dp
11437 r_tmp = r_offset + r1*zeta/(zeta + zetb)
11438 rr2_delta = -r_tmp/dr
11439
11440 rr2_l = ceiling(-r_c(2) + rr2_delta)
11441 rr2_r = floor(r_c(2) + rr2_delta)
11442
11443 r = r_tmp + (rr2_l)*dr
11444
11445
11446 DO rr2 = rr2_l, rr2_r
11447 r_pow_t = 1.0_dp
11448 exp2_rsq = exp(-alpha*r*r)
11449 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11450 r_pow_t = r_pow_t*r
11451 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11452 r_pow_t = r_pow_t*r
11453 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11454 r_pow_t = r_pow_t*r
11455 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11456 r_pow_t = r_pow_t*r
11457 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11458 r_pow_t = r_pow_t*r
11459 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11460
11461 r = r + dr
11462 END DO
11463
11464 ! C --> H
11465 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11466 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11467 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11468 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11469 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11470 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11471 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11472 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11473 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11474 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11475 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11476 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11477 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11478 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11479 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11480 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11481 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11482 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11483 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11484 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11485 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11486
11487 ! H --> HH
11488 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11489
11490 c1 = 1.0_dp/(zeta + zetb)
11491 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11492 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11493
11494 e_0_1_0 = zeta*( &
11495 +c2*e_0_0_0&
11496
11497 )
11498 e_0_0_1 = zetb*( &
11499 +c3*e_0_0_0&
11500
11501 )
11502 e_1_1_0 = zeta*( c1*e_0_0_0 &
11503
11504
11505 )
11506 e_1_0_1 = zetb*( c1*e_0_0_0 &
11507
11508
11509 )
11510 e_0_1_1 = zetb*( &
11511 +c3*e_0_1_0&
11512 +2*e_1_1_0 &
11513 )
11514 e_1_1_1 = zetb*( c1*e_0_1_0 &
11515 +c3*e_1_1_0&
11516
11517 )
11518 e_2_1_1 = zetb*( c1*e_1_1_0 &
11519
11520
11521 )
11522 e_0_1_1 = zeta*( &
11523 +c2*e_0_0_1&
11524 +2*e_1_0_1 &
11525 )
11526 e_0_0_2 = zetb*( &
11527 +c3*e_0_0_1&
11528 +2*e_1_0_1 &
11529 -2*e_0_0_0)
11530 e_1_1_1 = zeta*( c1*e_0_0_1 &
11531 +c2*e_1_0_1&
11532
11533 )
11534 e_1_0_2 = zetb*( c1*e_0_0_1 &
11535 +c3*e_1_0_1&
11536
11537 )
11538 e_2_1_1 = zeta*( c1*e_1_0_1 &
11539
11540
11541 )
11542 e_2_0_2 = zetb*( c1*e_1_0_1 &
11543
11544
11545 )
11546 e_0_1_2 = zetb*( &
11547 +c3*e_0_1_1&
11548 +2*e_1_1_1 &
11549 -2*e_0_1_0)
11550 e_1_1_2 = zetb*( c1*e_0_1_1 &
11551 +c3*e_1_1_1&
11552 +4*e_2_1_1 &
11553 -2*e_1_1_0)
11554 e_2_1_2 = zetb*( c1*e_1_1_1 &
11555 +c3*e_2_1_1&
11556
11557 )
11558 e_3_1_2 = zetb*( c1*e_2_1_1 &
11559
11560
11561 )
11562 e_0_1_2 = zeta*( &
11563 +c2*e_0_0_2&
11564 +2*e_1_0_2 &
11565 )
11566 e_0_0_3 = zetb*( &
11567 +c3*e_0_0_2&
11568 +2*e_1_0_2 &
11569 -4*e_0_0_1)
11570 e_1_1_2 = zeta*( c1*e_0_0_2 &
11571 +c2*e_1_0_2&
11572 +4*e_2_0_2 &
11573 )
11574 e_1_0_3 = zetb*( c1*e_0_0_2 &
11575 +c3*e_1_0_2&
11576 +4*e_2_0_2 &
11577 -4*e_1_0_1)
11578 e_2_1_2 = zeta*( c1*e_1_0_2 &
11579 +c2*e_2_0_2&
11580
11581 )
11582 e_2_0_3 = zetb*( c1*e_1_0_2 &
11583 +c3*e_2_0_2&
11584
11585 )
11586 e_3_1_2 = zeta*( c1*e_2_0_2 &
11587
11588
11589 )
11590 e_3_0_3 = zetb*( c1*e_2_0_2 &
11591
11592
11593 )
11594 e_0_1_3 = zetb*( &
11595 +c3*e_0_1_2&
11596 +2*e_1_1_2 &
11597 -4*e_0_1_1)
11598 e_1_1_3 = zetb*( c1*e_0_1_2 &
11599 +c3*e_1_1_2&
11600 +4*e_2_1_2 &
11601 -4*e_1_1_1)
11602 e_2_1_3 = zetb*( c1*e_1_1_2 &
11603 +c3*e_2_1_2&
11604 +6*e_3_1_2 &
11605 -4*e_2_1_1)
11606 e_3_1_3 = zetb*( c1*e_2_1_2 &
11607 +c3*e_3_1_2&
11608
11609 )
11610 e_4_1_3 = zetb*( c1*e_3_1_2 &
11611
11612
11613 )
11614 e_0_1_3 = zeta*( &
11615 +c2*e_0_0_3&
11616 +2*e_1_0_3 &
11617 )
11618 e_0_0_4 = zetb*( &
11619 +c3*e_0_0_3&
11620 +2*e_1_0_3 &
11621 -6*e_0_0_2)
11622 e_1_1_3 = zeta*( c1*e_0_0_3 &
11623 +c2*e_1_0_3&
11624 +4*e_2_0_3 &
11625 )
11626 e_1_0_4 = zetb*( c1*e_0_0_3 &
11627 +c3*e_1_0_3&
11628 +4*e_2_0_3 &
11629 -6*e_1_0_2)
11630 e_2_1_3 = zeta*( c1*e_1_0_3 &
11631 +c2*e_2_0_3&
11632 +6*e_3_0_3 &
11633 )
11634 e_2_0_4 = zetb*( c1*e_1_0_3 &
11635 +c3*e_2_0_3&
11636 +6*e_3_0_3 &
11637 -6*e_2_0_2)
11638 e_3_1_3 = zeta*( c1*e_2_0_3 &
11639 +c2*e_3_0_3&
11640
11641 )
11642 e_3_0_4 = zetb*( c1*e_2_0_3 &
11643 +c3*e_3_0_3&
11644
11645 )
11646 e_4_1_3 = zeta*( c1*e_3_0_3 &
11647
11648
11649 )
11650 e_4_0_4 = zetb*( c1*e_3_0_3 &
11651
11652
11653 )
11654 e_0_1_4 = zetb*( &
11655 +c3*e_0_1_3&
11656 +2*e_1_1_3 &
11657 -6*e_0_1_2)
11658 e_1_1_4 = zetb*( c1*e_0_1_3 &
11659 +c3*e_1_1_3&
11660 +4*e_2_1_3 &
11661 -6*e_1_1_2)
11662 e_2_1_4 = zetb*( c1*e_1_1_3 &
11663 +c3*e_2_1_3&
11664 +6*e_3_1_3 &
11665 -6*e_2_1_2)
11666 e_3_1_4 = zetb*( c1*e_2_1_3 &
11667 +c3*e_3_1_3&
11668 +8*e_4_1_3 &
11669 -6*e_3_1_2)
11670 e_4_1_4 = zetb*( c1*e_3_1_3 &
11671 +c3*e_4_1_3&
11672
11673 )
11674 e_5_1_4 = zetb*( c1*e_4_1_3 &
11675
11676
11677 )
11678 e_0_1_4 = zeta*( &
11679 +c2*e_0_0_4&
11680 +2*e_1_0_4 &
11681 )
11682 e_1_1_4 = zeta*( c1*e_0_0_4 &
11683 +c2*e_1_0_4&
11684 +4*e_2_0_4 &
11685 )
11686 e_2_1_4 = zeta*( c1*e_1_0_4 &
11687 +c2*e_2_0_4&
11688 +6*e_3_0_4 &
11689 )
11690 e_3_1_4 = zeta*( c1*e_2_0_4 &
11691 +c2*e_3_0_4&
11692 +8*e_4_0_4 &
11693 )
11694 e_4_1_4 = zeta*( c1*e_3_0_4 &
11695 +c2*e_4_0_4&
11696
11697 )
11698 e_5_1_4 = zeta*( c1*e_4_0_4 &
11699
11700
11701 )
11702
11703 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
11704 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
11705 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
11706 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
11707 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
11708 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
11709 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
11710 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11711 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
11712 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
11713 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11714 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
11715 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
11716 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11717 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11718 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
11719 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
11720 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11721 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11722 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
11723 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
11724 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11725 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11726 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11727 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
11728 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
11729 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
11730 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
11731 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
11732 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
11733 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
11734 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
11735 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
11736 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
11737 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
11738 r1 = r1 + dr
11739 END DO
11740
11741 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
11742 END SUBROUTINE
11743 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_1_exp_0 ( &
11744 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
11745 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
11746 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
11747 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
11748 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
11749 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
11750 r_pow_t, r_tmp, rr1_delta, rr2_delta
11751
11752 REAL(kind=dp) :: c1, c2, c3
11753 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
11754 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
11755 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
11756 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
11757 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
11758 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
11759 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
11760 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
11761
11762
11763 dr = lgth
11764 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
11765
11766 s_r(:, :, :) = 0.0_dp
11767
11768 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
11769
11770 h_to_c_0_0 = sqrt(alpha/pi)
11771
11772 h_to_c_0_1 = 0.0_dp
11773 h_to_c_1_1 = +2*alpha*h_to_c_0_0
11774 h_to_c_0_2 = -1*h_to_c_1_1
11775 h_to_c_1_2 = +2*alpha*h_to_c_0_1
11776 h_to_c_2_2 = +2*alpha*h_to_c_1_1
11777 h_to_c_0_3 = -1*h_to_c_1_2
11778 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
11779 h_to_c_2_3 = +2*alpha*h_to_c_1_2
11780 h_to_c_3_3 = +2*alpha*h_to_c_2_2
11781 h_to_c_0_4 = -1*h_to_c_1_3
11782 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
11783 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
11784 h_to_c_3_4 = +2*alpha*h_to_c_2_3
11785 h_to_c_4_4 = +2*alpha*h_to_c_3_3
11786 h_to_c_0_5 = -1*h_to_c_1_4
11787 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
11788 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
11789 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
11790 h_to_c_4_5 = +2*alpha*h_to_c_3_4
11791 h_to_c_5_5 = +2*alpha*h_to_c_4_4
11792 h_to_c_0_6 = -1*h_to_c_1_5
11793 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
11794 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
11795 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
11796 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
11797 h_to_c_5_6 = +2*alpha*h_to_c_4_5
11798 h_to_c_6_6 = +2*alpha*h_to_c_5_5
11799
11800
11801 rr1_delta = (ra - rb)/dr
11802
11803 rr1_l = ceiling(-r_c(1) + rr1_delta)
11804 rr1_r = floor(r_c(1) + rr1_delta)
11805
11806 r1 = rr1_l*dr
11807
11808 alpha_e = zeta*zetb/(zeta + zetb)
11809
11810 DO rr1 = rr1_l, rr1_r
11811 s_r_t_0 = 0.0_dp
11812 s_r_t2_0 = 0.0_dp
11813 s_r_t_1 = 0.0_dp
11814 s_r_t2_1 = 0.0_dp
11815 s_r_t_2 = 0.0_dp
11816 s_r_t2_2 = 0.0_dp
11817 s_r_t_3 = 0.0_dp
11818 s_r_t2_3 = 0.0_dp
11819 s_r_t_4 = 0.0_dp
11820 s_r_t2_4 = 0.0_dp
11821 s_r_t_5 = 0.0_dp
11822 s_r_t2_5 = 0.0_dp
11823 s_r_t_6 = 0.0_dp
11824 s_r_t2_6 = 0.0_dp
11825 r_tmp = r_offset + r1*zeta/(zeta + zetb)
11826 rr2_delta = -r_tmp/dr
11827
11828 rr2_l = ceiling(-r_c(2) + rr2_delta)
11829 rr2_r = floor(r_c(2) + rr2_delta)
11830
11831 r = r_tmp + (rr2_l)*dr
11832
11833
11834 DO rr2 = rr2_l, rr2_r
11835 r_pow_t = 1.0_dp
11836 exp2_rsq = exp(-alpha*r*r)
11837 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11838 r_pow_t = r_pow_t*r
11839 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11840 r_pow_t = r_pow_t*r
11841 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11842 r_pow_t = r_pow_t*r
11843 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11844 r_pow_t = r_pow_t*r
11845 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11846 r_pow_t = r_pow_t*r
11847 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11848 r_pow_t = r_pow_t*r
11849 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
11850
11851 r = r + dr
11852 END DO
11853
11854 ! C --> H
11855 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11856 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11857 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11858 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11859 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11860 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11861 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11862 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11863 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11864 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11865 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11866 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11867 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11868 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11869 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11870 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11871 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11872 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11873 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11874 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11875 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11876 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
11877 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
11878 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
11879 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
11880 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
11881 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
11882 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
11883
11884 ! H --> HH
11885 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11886
11887 c1 = 1.0_dp/(zeta + zetb)
11888 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11889 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11890
11891 e_0_1_0 = zeta*( &
11892 +c2*e_0_0_0&
11893
11894 )
11895 e_0_0_1 = zetb*( &
11896 +c3*e_0_0_0&
11897
11898 )
11899 e_1_1_0 = zeta*( c1*e_0_0_0 &
11900
11901
11902 )
11903 e_1_0_1 = zetb*( c1*e_0_0_0 &
11904
11905
11906 )
11907 e_0_1_1 = zetb*( &
11908 +c3*e_0_1_0&
11909 +2*e_1_1_0 &
11910 )
11911 e_1_1_1 = zetb*( c1*e_0_1_0 &
11912 +c3*e_1_1_0&
11913
11914 )
11915 e_2_1_1 = zetb*( c1*e_1_1_0 &
11916
11917
11918 )
11919 e_0_1_1 = zeta*( &
11920 +c2*e_0_0_1&
11921 +2*e_1_0_1 &
11922 )
11923 e_0_0_2 = zetb*( &
11924 +c3*e_0_0_1&
11925 +2*e_1_0_1 &
11926 -2*e_0_0_0)
11927 e_1_1_1 = zeta*( c1*e_0_0_1 &
11928 +c2*e_1_0_1&
11929
11930 )
11931 e_1_0_2 = zetb*( c1*e_0_0_1 &
11932 +c3*e_1_0_1&
11933
11934 )
11935 e_2_1_1 = zeta*( c1*e_1_0_1 &
11936
11937
11938 )
11939 e_2_0_2 = zetb*( c1*e_1_0_1 &
11940
11941
11942 )
11943 e_0_1_2 = zetb*( &
11944 +c3*e_0_1_1&
11945 +2*e_1_1_1 &
11946 -2*e_0_1_0)
11947 e_1_1_2 = zetb*( c1*e_0_1_1 &
11948 +c3*e_1_1_1&
11949 +4*e_2_1_1 &
11950 -2*e_1_1_0)
11951 e_2_1_2 = zetb*( c1*e_1_1_1 &
11952 +c3*e_2_1_1&
11953
11954 )
11955 e_3_1_2 = zetb*( c1*e_2_1_1 &
11956
11957
11958 )
11959 e_0_1_2 = zeta*( &
11960 +c2*e_0_0_2&
11961 +2*e_1_0_2 &
11962 )
11963 e_0_0_3 = zetb*( &
11964 +c3*e_0_0_2&
11965 +2*e_1_0_2 &
11966 -4*e_0_0_1)
11967 e_1_1_2 = zeta*( c1*e_0_0_2 &
11968 +c2*e_1_0_2&
11969 +4*e_2_0_2 &
11970 )
11971 e_1_0_3 = zetb*( c1*e_0_0_2 &
11972 +c3*e_1_0_2&
11973 +4*e_2_0_2 &
11974 -4*e_1_0_1)
11975 e_2_1_2 = zeta*( c1*e_1_0_2 &
11976 +c2*e_2_0_2&
11977
11978 )
11979 e_2_0_3 = zetb*( c1*e_1_0_2 &
11980 +c3*e_2_0_2&
11981
11982 )
11983 e_3_1_2 = zeta*( c1*e_2_0_2 &
11984
11985
11986 )
11987 e_3_0_3 = zetb*( c1*e_2_0_2 &
11988
11989
11990 )
11991 e_0_1_3 = zetb*( &
11992 +c3*e_0_1_2&
11993 +2*e_1_1_2 &
11994 -4*e_0_1_1)
11995 e_1_1_3 = zetb*( c1*e_0_1_2 &
11996 +c3*e_1_1_2&
11997 +4*e_2_1_2 &
11998 -4*e_1_1_1)
11999 e_2_1_3 = zetb*( c1*e_1_1_2 &
12000 +c3*e_2_1_2&
12001 +6*e_3_1_2 &
12002 -4*e_2_1_1)
12003 e_3_1_3 = zetb*( c1*e_2_1_2 &
12004 +c3*e_3_1_2&
12005
12006 )
12007 e_4_1_3 = zetb*( c1*e_3_1_2 &
12008
12009
12010 )
12011 e_0_1_3 = zeta*( &
12012 +c2*e_0_0_3&
12013 +2*e_1_0_3 &
12014 )
12015 e_0_0_4 = zetb*( &
12016 +c3*e_0_0_3&
12017 +2*e_1_0_3 &
12018 -6*e_0_0_2)
12019 e_1_1_3 = zeta*( c1*e_0_0_3 &
12020 +c2*e_1_0_3&
12021 +4*e_2_0_3 &
12022 )
12023 e_1_0_4 = zetb*( c1*e_0_0_3 &
12024 +c3*e_1_0_3&
12025 +4*e_2_0_3 &
12026 -6*e_1_0_2)
12027 e_2_1_3 = zeta*( c1*e_1_0_3 &
12028 +c2*e_2_0_3&
12029 +6*e_3_0_3 &
12030 )
12031 e_2_0_4 = zetb*( c1*e_1_0_3 &
12032 +c3*e_2_0_3&
12033 +6*e_3_0_3 &
12034 -6*e_2_0_2)
12035 e_3_1_3 = zeta*( c1*e_2_0_3 &
12036 +c2*e_3_0_3&
12037
12038 )
12039 e_3_0_4 = zetb*( c1*e_2_0_3 &
12040 +c3*e_3_0_3&
12041
12042 )
12043 e_4_1_3 = zeta*( c1*e_3_0_3 &
12044
12045
12046 )
12047 e_4_0_4 = zetb*( c1*e_3_0_3 &
12048
12049
12050 )
12051 e_0_1_4 = zetb*( &
12052 +c3*e_0_1_3&
12053 +2*e_1_1_3 &
12054 -6*e_0_1_2)
12055 e_1_1_4 = zetb*( c1*e_0_1_3 &
12056 +c3*e_1_1_3&
12057 +4*e_2_1_3 &
12058 -6*e_1_1_2)
12059 e_2_1_4 = zetb*( c1*e_1_1_3 &
12060 +c3*e_2_1_3&
12061 +6*e_3_1_3 &
12062 -6*e_2_1_2)
12063 e_3_1_4 = zetb*( c1*e_2_1_3 &
12064 +c3*e_3_1_3&
12065 +8*e_4_1_3 &
12066 -6*e_3_1_2)
12067 e_4_1_4 = zetb*( c1*e_3_1_3 &
12068 +c3*e_4_1_3&
12069
12070 )
12071 e_5_1_4 = zetb*( c1*e_4_1_3 &
12072
12073
12074 )
12075 e_0_1_4 = zeta*( &
12076 +c2*e_0_0_4&
12077 +2*e_1_0_4 &
12078 )
12079 e_1_1_4 = zeta*( c1*e_0_0_4 &
12080 +c2*e_1_0_4&
12081 +4*e_2_0_4 &
12082 )
12083 e_2_1_4 = zeta*( c1*e_1_0_4 &
12084 +c2*e_2_0_4&
12085 +6*e_3_0_4 &
12086 )
12087 e_3_1_4 = zeta*( c1*e_2_0_4 &
12088 +c2*e_3_0_4&
12089 +8*e_4_0_4 &
12090 )
12091 e_4_1_4 = zeta*( c1*e_3_0_4 &
12092 +c2*e_4_0_4&
12093
12094 )
12095 e_5_1_4 = zeta*( c1*e_4_0_4 &
12096
12097
12098 )
12099
12100 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
12101 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
12102 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
12103 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
12104 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
12105 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
12106 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
12107 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12108 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
12109 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
12110 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12111 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
12112 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
12113 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12114 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12115 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
12116 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
12117 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12118 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12119 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
12120 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
12121 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12122 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12123 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12124 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
12125 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
12126 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12127 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12128 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12129 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
12130 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
12131 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12132 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12133 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12134 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12135 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
12136 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
12137 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
12138 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
12139 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
12140 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
12141 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
12142 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
12143 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
12144 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
12145 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
12146 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
12147 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
12148 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
12149 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
12150 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
12151 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
12152 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
12153 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
12154 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
12155 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
12156 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
12157 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
12158 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
12159 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
12160 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
12161 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
12162 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
12163 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
12164 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
12165 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
12166 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
12167 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
12168 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
12169 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
12170 r1 = r1 + dr
12171 END DO
12172
12173 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
12174 END SUBROUTINE
12175 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_2_exp_0 ( &
12176 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
12177 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
12178 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
12179 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
12180 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
12181 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
12182 r_pow_t, r_tmp, rr1_delta, rr2_delta
12183
12184 REAL(kind=dp) :: c1, c2, c3
12185 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
12186 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
12187 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
12188 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
12189 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
12190 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
12191 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
12192 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
12193 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
12194
12195
12196 dr = lgth
12197 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
12198
12199 s_r(:, :, :) = 0.0_dp
12200
12201 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
12202
12203 h_to_c_0_0 = sqrt(alpha/pi)
12204
12205 h_to_c_0_1 = 0.0_dp
12206 h_to_c_1_1 = +2*alpha*h_to_c_0_0
12207 h_to_c_0_2 = -1*h_to_c_1_1
12208 h_to_c_1_2 = +2*alpha*h_to_c_0_1
12209 h_to_c_2_2 = +2*alpha*h_to_c_1_1
12210 h_to_c_0_3 = -1*h_to_c_1_2
12211 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
12212 h_to_c_2_3 = +2*alpha*h_to_c_1_2
12213 h_to_c_3_3 = +2*alpha*h_to_c_2_2
12214 h_to_c_0_4 = -1*h_to_c_1_3
12215 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
12216 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
12217 h_to_c_3_4 = +2*alpha*h_to_c_2_3
12218 h_to_c_4_4 = +2*alpha*h_to_c_3_3
12219 h_to_c_0_5 = -1*h_to_c_1_4
12220 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
12221 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
12222 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
12223 h_to_c_4_5 = +2*alpha*h_to_c_3_4
12224 h_to_c_5_5 = +2*alpha*h_to_c_4_4
12225 h_to_c_0_6 = -1*h_to_c_1_5
12226 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
12227 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
12228 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
12229 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
12230 h_to_c_5_6 = +2*alpha*h_to_c_4_5
12231 h_to_c_6_6 = +2*alpha*h_to_c_5_5
12232 h_to_c_0_7 = -1*h_to_c_1_6
12233 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
12234 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
12235 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
12236 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
12237 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
12238 h_to_c_6_7 = +2*alpha*h_to_c_5_6
12239 h_to_c_7_7 = +2*alpha*h_to_c_6_6
12240
12241
12242 rr1_delta = (ra - rb)/dr
12243
12244 rr1_l = ceiling(-r_c(1) + rr1_delta)
12245 rr1_r = floor(r_c(1) + rr1_delta)
12246
12247 r1 = rr1_l*dr
12248
12249 alpha_e = zeta*zetb/(zeta + zetb)
12250
12251 DO rr1 = rr1_l, rr1_r
12252 s_r_t_0 = 0.0_dp
12253 s_r_t2_0 = 0.0_dp
12254 s_r_t_1 = 0.0_dp
12255 s_r_t2_1 = 0.0_dp
12256 s_r_t_2 = 0.0_dp
12257 s_r_t2_2 = 0.0_dp
12258 s_r_t_3 = 0.0_dp
12259 s_r_t2_3 = 0.0_dp
12260 s_r_t_4 = 0.0_dp
12261 s_r_t2_4 = 0.0_dp
12262 s_r_t_5 = 0.0_dp
12263 s_r_t2_5 = 0.0_dp
12264 s_r_t_6 = 0.0_dp
12265 s_r_t2_6 = 0.0_dp
12266 s_r_t_7 = 0.0_dp
12267 s_r_t2_7 = 0.0_dp
12268 r_tmp = r_offset + r1*zeta/(zeta + zetb)
12269 rr2_delta = -r_tmp/dr
12270
12271 rr2_l = ceiling(-r_c(2) + rr2_delta)
12272 rr2_r = floor(r_c(2) + rr2_delta)
12273
12274 r = r_tmp + (rr2_l)*dr
12275
12276
12277 DO rr2 = rr2_l, rr2_r
12278 r_pow_t = 1.0_dp
12279 exp2_rsq = exp(-alpha*r*r)
12280 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
12281 r_pow_t = r_pow_t*r
12282 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
12283 r_pow_t = r_pow_t*r
12284 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
12285 r_pow_t = r_pow_t*r
12286 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
12287 r_pow_t = r_pow_t*r
12288 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
12289 r_pow_t = r_pow_t*r
12290 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
12291 r_pow_t = r_pow_t*r
12292 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
12293 r_pow_t = r_pow_t*r
12294 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
12295
12296 r = r + dr
12297 END DO
12298
12299 ! C --> H
12300 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
12301 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
12302 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
12303 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
12304 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
12305 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
12306 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
12307 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
12308 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
12309 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
12310 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
12311 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
12312 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
12313 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
12314 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
12315 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
12316 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
12317 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
12318 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
12319 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
12320 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
12321 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
12322 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
12323 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
12324 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
12325 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
12326 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
12327 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
12328 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
12329 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
12330 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
12331 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
12332 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
12333 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
12334 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
12335 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
12336
12337 ! H --> HH
12338 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
12339
12340 c1 = 1.0_dp/(zeta + zetb)
12341 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
12342 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
12343
12344 e_0_1_0 = zeta*( &
12345 +c2*e_0_0_0&
12346
12347 )
12348 e_0_0_1 = zetb*( &
12349 +c3*e_0_0_0&
12350
12351 )
12352 e_1_1_0 = zeta*( c1*e_0_0_0 &
12353
12354
12355 )
12356 e_1_0_1 = zetb*( c1*e_0_0_0 &
12357
12358
12359 )
12360 e_0_1_1 = zetb*( &
12361 +c3*e_0_1_0&
12362 +2*e_1_1_0 &
12363 )
12364 e_1_1_1 = zetb*( c1*e_0_1_0 &
12365 +c3*e_1_1_0&
12366
12367 )
12368 e_2_1_1 = zetb*( c1*e_1_1_0 &
12369
12370
12371 )
12372 e_0_1_1 = zeta*( &
12373 +c2*e_0_0_1&
12374 +2*e_1_0_1 &
12375 )
12376 e_0_0_2 = zetb*( &
12377 +c3*e_0_0_1&
12378 +2*e_1_0_1 &
12379 -2*e_0_0_0)
12380 e_1_1_1 = zeta*( c1*e_0_0_1 &
12381 +c2*e_1_0_1&
12382
12383 )
12384 e_1_0_2 = zetb*( c1*e_0_0_1 &
12385 +c3*e_1_0_1&
12386
12387 )
12388 e_2_1_1 = zeta*( c1*e_1_0_1 &
12389
12390
12391 )
12392 e_2_0_2 = zetb*( c1*e_1_0_1 &
12393
12394
12395 )
12396 e_0_1_2 = zetb*( &
12397 +c3*e_0_1_1&
12398 +2*e_1_1_1 &
12399 -2*e_0_1_0)
12400 e_1_1_2 = zetb*( c1*e_0_1_1 &
12401 +c3*e_1_1_1&
12402 +4*e_2_1_1 &
12403 -2*e_1_1_0)
12404 e_2_1_2 = zetb*( c1*e_1_1_1 &
12405 +c3*e_2_1_1&
12406
12407 )
12408 e_3_1_2 = zetb*( c1*e_2_1_1 &
12409
12410
12411 )
12412 e_0_1_2 = zeta*( &
12413 +c2*e_0_0_2&
12414 +2*e_1_0_2 &
12415 )
12416 e_0_0_3 = zetb*( &
12417 +c3*e_0_0_2&
12418 +2*e_1_0_2 &
12419 -4*e_0_0_1)
12420 e_1_1_2 = zeta*( c1*e_0_0_2 &
12421 +c2*e_1_0_2&
12422 +4*e_2_0_2 &
12423 )
12424 e_1_0_3 = zetb*( c1*e_0_0_2 &
12425 +c3*e_1_0_2&
12426 +4*e_2_0_2 &
12427 -4*e_1_0_1)
12428 e_2_1_2 = zeta*( c1*e_1_0_2 &
12429 +c2*e_2_0_2&
12430
12431 )
12432 e_2_0_3 = zetb*( c1*e_1_0_2 &
12433 +c3*e_2_0_2&
12434
12435 )
12436 e_3_1_2 = zeta*( c1*e_2_0_2 &
12437
12438
12439 )
12440 e_3_0_3 = zetb*( c1*e_2_0_2 &
12441
12442
12443 )
12444 e_0_1_3 = zetb*( &
12445 +c3*e_0_1_2&
12446 +2*e_1_1_2 &
12447 -4*e_0_1_1)
12448 e_1_1_3 = zetb*( c1*e_0_1_2 &
12449 +c3*e_1_1_2&
12450 +4*e_2_1_2 &
12451 -4*e_1_1_1)
12452 e_2_1_3 = zetb*( c1*e_1_1_2 &
12453 +c3*e_2_1_2&
12454 +6*e_3_1_2 &
12455 -4*e_2_1_1)
12456 e_3_1_3 = zetb*( c1*e_2_1_2 &
12457 +c3*e_3_1_2&
12458
12459 )
12460 e_4_1_3 = zetb*( c1*e_3_1_2 &
12461
12462
12463 )
12464 e_0_1_3 = zeta*( &
12465 +c2*e_0_0_3&
12466 +2*e_1_0_3 &
12467 )
12468 e_0_0_4 = zetb*( &
12469 +c3*e_0_0_3&
12470 +2*e_1_0_3 &
12471 -6*e_0_0_2)
12472 e_1_1_3 = zeta*( c1*e_0_0_3 &
12473 +c2*e_1_0_3&
12474 +4*e_2_0_3 &
12475 )
12476 e_1_0_4 = zetb*( c1*e_0_0_3 &
12477 +c3*e_1_0_3&
12478 +4*e_2_0_3 &
12479 -6*e_1_0_2)
12480 e_2_1_3 = zeta*( c1*e_1_0_3 &
12481 +c2*e_2_0_3&
12482 +6*e_3_0_3 &
12483 )
12484 e_2_0_4 = zetb*( c1*e_1_0_3 &
12485 +c3*e_2_0_3&
12486 +6*e_3_0_3 &
12487 -6*e_2_0_2)
12488 e_3_1_3 = zeta*( c1*e_2_0_3 &
12489 +c2*e_3_0_3&
12490
12491 )
12492 e_3_0_4 = zetb*( c1*e_2_0_3 &
12493 +c3*e_3_0_3&
12494
12495 )
12496 e_4_1_3 = zeta*( c1*e_3_0_3 &
12497
12498
12499 )
12500 e_4_0_4 = zetb*( c1*e_3_0_3 &
12501
12502
12503 )
12504 e_0_1_4 = zetb*( &
12505 +c3*e_0_1_3&
12506 +2*e_1_1_3 &
12507 -6*e_0_1_2)
12508 e_1_1_4 = zetb*( c1*e_0_1_3 &
12509 +c3*e_1_1_3&
12510 +4*e_2_1_3 &
12511 -6*e_1_1_2)
12512 e_2_1_4 = zetb*( c1*e_1_1_3 &
12513 +c3*e_2_1_3&
12514 +6*e_3_1_3 &
12515 -6*e_2_1_2)
12516 e_3_1_4 = zetb*( c1*e_2_1_3 &
12517 +c3*e_3_1_3&
12518 +8*e_4_1_3 &
12519 -6*e_3_1_2)
12520 e_4_1_4 = zetb*( c1*e_3_1_3 &
12521 +c3*e_4_1_3&
12522
12523 )
12524 e_5_1_4 = zetb*( c1*e_4_1_3 &
12525
12526
12527 )
12528 e_0_1_4 = zeta*( &
12529 +c2*e_0_0_4&
12530 +2*e_1_0_4 &
12531 )
12532 e_1_1_4 = zeta*( c1*e_0_0_4 &
12533 +c2*e_1_0_4&
12534 +4*e_2_0_4 &
12535 )
12536 e_2_1_4 = zeta*( c1*e_1_0_4 &
12537 +c2*e_2_0_4&
12538 +6*e_3_0_4 &
12539 )
12540 e_3_1_4 = zeta*( c1*e_2_0_4 &
12541 +c2*e_3_0_4&
12542 +8*e_4_0_4 &
12543 )
12544 e_4_1_4 = zeta*( c1*e_3_0_4 &
12545 +c2*e_4_0_4&
12546
12547 )
12548 e_5_1_4 = zeta*( c1*e_4_0_4 &
12549
12550
12551 )
12552
12553 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
12554 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
12555 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
12556 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
12557 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
12558 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
12559 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
12560 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12561 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
12562 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
12563 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12564 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
12565 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
12566 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12567 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12568 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
12569 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
12570 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12571 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12572 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
12573 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
12574 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12575 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12576 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12577 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
12578 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
12579 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12580 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12581 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12582 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
12583 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
12584 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12585 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12586 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12587 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12588 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
12589 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
12590 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
12591 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
12592 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
12593 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
12594 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
12595 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
12596 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
12597 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
12598 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
12599 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
12600 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
12601 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
12602 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
12603 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
12604 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
12605 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
12606 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
12607 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
12608 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
12609 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
12610 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
12611 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
12612 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
12613 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
12614 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
12615 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
12616 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
12617 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
12618 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
12619 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
12620 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
12621 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
12622 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
12623 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
12624 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
12625 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
12626 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
12627 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
12628 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12629 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
12630 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
12631 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12632 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
12633 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
12634 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12635 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12636 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
12637 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
12638 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12639 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12640 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
12641 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
12642 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12643 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12644 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12645 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
12646 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
12647 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12648 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12649 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12650 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
12651 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
12652 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12653 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12654 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12655 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12656 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
12657 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
12658 r1 = r1 + dr
12659 END DO
12660
12661 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
12662 END SUBROUTINE
12663 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_3_exp_0 ( &
12664 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
12665 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
12666 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
12667 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
12668 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
12669 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
12670 r_pow_t, r_tmp, rr1_delta, rr2_delta
12671
12672 REAL(kind=dp) :: c1, c2, c3
12673 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
12674 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
12675 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
12676 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
12677 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
12678 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
12679 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
12680 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
12681 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
12682 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
12683
12684
12685 dr = lgth
12686 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
12687
12688 s_r(:, :, :) = 0.0_dp
12689
12690 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
12691
12692 h_to_c_0_0 = sqrt(alpha/pi)
12693
12694 h_to_c_0_1 = 0.0_dp
12695 h_to_c_1_1 = +2*alpha*h_to_c_0_0
12696 h_to_c_0_2 = -1*h_to_c_1_1
12697 h_to_c_1_2 = +2*alpha*h_to_c_0_1
12698 h_to_c_2_2 = +2*alpha*h_to_c_1_1
12699 h_to_c_0_3 = -1*h_to_c_1_2
12700 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
12701 h_to_c_2_3 = +2*alpha*h_to_c_1_2
12702 h_to_c_3_3 = +2*alpha*h_to_c_2_2
12703 h_to_c_0_4 = -1*h_to_c_1_3
12704 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
12705 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
12706 h_to_c_3_4 = +2*alpha*h_to_c_2_3
12707 h_to_c_4_4 = +2*alpha*h_to_c_3_3
12708 h_to_c_0_5 = -1*h_to_c_1_4
12709 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
12710 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
12711 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
12712 h_to_c_4_5 = +2*alpha*h_to_c_3_4
12713 h_to_c_5_5 = +2*alpha*h_to_c_4_4
12714 h_to_c_0_6 = -1*h_to_c_1_5
12715 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
12716 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
12717 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
12718 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
12719 h_to_c_5_6 = +2*alpha*h_to_c_4_5
12720 h_to_c_6_6 = +2*alpha*h_to_c_5_5
12721 h_to_c_0_7 = -1*h_to_c_1_6
12722 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
12723 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
12724 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
12725 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
12726 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
12727 h_to_c_6_7 = +2*alpha*h_to_c_5_6
12728 h_to_c_7_7 = +2*alpha*h_to_c_6_6
12729 h_to_c_0_8 = -1*h_to_c_1_7
12730 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
12731 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
12732 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
12733 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
12734 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
12735 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
12736 h_to_c_7_8 = +2*alpha*h_to_c_6_7
12737 h_to_c_8_8 = +2*alpha*h_to_c_7_7
12738
12739
12740 rr1_delta = (ra - rb)/dr
12741
12742 rr1_l = ceiling(-r_c(1) + rr1_delta)
12743 rr1_r = floor(r_c(1) + rr1_delta)
12744
12745 r1 = rr1_l*dr
12746
12747 alpha_e = zeta*zetb/(zeta + zetb)
12748
12749 DO rr1 = rr1_l, rr1_r
12750 s_r_t_0 = 0.0_dp
12751 s_r_t2_0 = 0.0_dp
12752 s_r_t_1 = 0.0_dp
12753 s_r_t2_1 = 0.0_dp
12754 s_r_t_2 = 0.0_dp
12755 s_r_t2_2 = 0.0_dp
12756 s_r_t_3 = 0.0_dp
12757 s_r_t2_3 = 0.0_dp
12758 s_r_t_4 = 0.0_dp
12759 s_r_t2_4 = 0.0_dp
12760 s_r_t_5 = 0.0_dp
12761 s_r_t2_5 = 0.0_dp
12762 s_r_t_6 = 0.0_dp
12763 s_r_t2_6 = 0.0_dp
12764 s_r_t_7 = 0.0_dp
12765 s_r_t2_7 = 0.0_dp
12766 s_r_t_8 = 0.0_dp
12767 s_r_t2_8 = 0.0_dp
12768 r_tmp = r_offset + r1*zeta/(zeta + zetb)
12769 rr2_delta = -r_tmp/dr
12770
12771 rr2_l = ceiling(-r_c(2) + rr2_delta)
12772 rr2_r = floor(r_c(2) + rr2_delta)
12773
12774 r = r_tmp + (rr2_l)*dr
12775
12776
12777 DO rr2 = rr2_l, rr2_r
12778 r_pow_t = 1.0_dp
12779 exp2_rsq = exp(-alpha*r*r)
12780 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
12781 r_pow_t = r_pow_t*r
12782 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
12783 r_pow_t = r_pow_t*r
12784 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
12785 r_pow_t = r_pow_t*r
12786 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
12787 r_pow_t = r_pow_t*r
12788 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
12789 r_pow_t = r_pow_t*r
12790 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
12791 r_pow_t = r_pow_t*r
12792 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
12793 r_pow_t = r_pow_t*r
12794 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
12795 r_pow_t = r_pow_t*r
12796 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
12797
12798 r = r + dr
12799 END DO
12800
12801 ! C --> H
12802 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
12803 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
12804 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
12805 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
12806 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
12807 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
12808 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
12809 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
12810 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
12811 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
12812 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
12813 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
12814 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
12815 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
12816 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
12817 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
12818 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
12819 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
12820 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
12821 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
12822 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
12823 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
12824 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
12825 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
12826 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
12827 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
12828 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
12829 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
12830 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
12831 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
12832 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
12833 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
12834 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
12835 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
12836 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
12837 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
12838 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
12839 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
12840 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
12841 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
12842 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
12843 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
12844 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
12845 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
12846 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
12847
12848 ! H --> HH
12849 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
12850
12851 c1 = 1.0_dp/(zeta + zetb)
12852 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
12853 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
12854
12855 e_0_1_0 = zeta*( &
12856 +c2*e_0_0_0&
12857
12858 )
12859 e_0_0_1 = zetb*( &
12860 +c3*e_0_0_0&
12861
12862 )
12863 e_1_1_0 = zeta*( c1*e_0_0_0 &
12864
12865
12866 )
12867 e_1_0_1 = zetb*( c1*e_0_0_0 &
12868
12869
12870 )
12871 e_0_1_1 = zetb*( &
12872 +c3*e_0_1_0&
12873 +2*e_1_1_0 &
12874 )
12875 e_1_1_1 = zetb*( c1*e_0_1_0 &
12876 +c3*e_1_1_0&
12877
12878 )
12879 e_2_1_1 = zetb*( c1*e_1_1_0 &
12880
12881
12882 )
12883 e_0_1_1 = zeta*( &
12884 +c2*e_0_0_1&
12885 +2*e_1_0_1 &
12886 )
12887 e_0_0_2 = zetb*( &
12888 +c3*e_0_0_1&
12889 +2*e_1_0_1 &
12890 -2*e_0_0_0)
12891 e_1_1_1 = zeta*( c1*e_0_0_1 &
12892 +c2*e_1_0_1&
12893
12894 )
12895 e_1_0_2 = zetb*( c1*e_0_0_1 &
12896 +c3*e_1_0_1&
12897
12898 )
12899 e_2_1_1 = zeta*( c1*e_1_0_1 &
12900
12901
12902 )
12903 e_2_0_2 = zetb*( c1*e_1_0_1 &
12904
12905
12906 )
12907 e_0_1_2 = zetb*( &
12908 +c3*e_0_1_1&
12909 +2*e_1_1_1 &
12910 -2*e_0_1_0)
12911 e_1_1_2 = zetb*( c1*e_0_1_1 &
12912 +c3*e_1_1_1&
12913 +4*e_2_1_1 &
12914 -2*e_1_1_0)
12915 e_2_1_2 = zetb*( c1*e_1_1_1 &
12916 +c3*e_2_1_1&
12917
12918 )
12919 e_3_1_2 = zetb*( c1*e_2_1_1 &
12920
12921
12922 )
12923 e_0_1_2 = zeta*( &
12924 +c2*e_0_0_2&
12925 +2*e_1_0_2 &
12926 )
12927 e_0_0_3 = zetb*( &
12928 +c3*e_0_0_2&
12929 +2*e_1_0_2 &
12930 -4*e_0_0_1)
12931 e_1_1_2 = zeta*( c1*e_0_0_2 &
12932 +c2*e_1_0_2&
12933 +4*e_2_0_2 &
12934 )
12935 e_1_0_3 = zetb*( c1*e_0_0_2 &
12936 +c3*e_1_0_2&
12937 +4*e_2_0_2 &
12938 -4*e_1_0_1)
12939 e_2_1_2 = zeta*( c1*e_1_0_2 &
12940 +c2*e_2_0_2&
12941
12942 )
12943 e_2_0_3 = zetb*( c1*e_1_0_2 &
12944 +c3*e_2_0_2&
12945
12946 )
12947 e_3_1_2 = zeta*( c1*e_2_0_2 &
12948
12949
12950 )
12951 e_3_0_3 = zetb*( c1*e_2_0_2 &
12952
12953
12954 )
12955 e_0_1_3 = zetb*( &
12956 +c3*e_0_1_2&
12957 +2*e_1_1_2 &
12958 -4*e_0_1_1)
12959 e_1_1_3 = zetb*( c1*e_0_1_2 &
12960 +c3*e_1_1_2&
12961 +4*e_2_1_2 &
12962 -4*e_1_1_1)
12963 e_2_1_3 = zetb*( c1*e_1_1_2 &
12964 +c3*e_2_1_2&
12965 +6*e_3_1_2 &
12966 -4*e_2_1_1)
12967 e_3_1_3 = zetb*( c1*e_2_1_2 &
12968 +c3*e_3_1_2&
12969
12970 )
12971 e_4_1_3 = zetb*( c1*e_3_1_2 &
12972
12973
12974 )
12975 e_0_1_3 = zeta*( &
12976 +c2*e_0_0_3&
12977 +2*e_1_0_3 &
12978 )
12979 e_0_0_4 = zetb*( &
12980 +c3*e_0_0_3&
12981 +2*e_1_0_3 &
12982 -6*e_0_0_2)
12983 e_1_1_3 = zeta*( c1*e_0_0_3 &
12984 +c2*e_1_0_3&
12985 +4*e_2_0_3 &
12986 )
12987 e_1_0_4 = zetb*( c1*e_0_0_3 &
12988 +c3*e_1_0_3&
12989 +4*e_2_0_3 &
12990 -6*e_1_0_2)
12991 e_2_1_3 = zeta*( c1*e_1_0_3 &
12992 +c2*e_2_0_3&
12993 +6*e_3_0_3 &
12994 )
12995 e_2_0_4 = zetb*( c1*e_1_0_3 &
12996 +c3*e_2_0_3&
12997 +6*e_3_0_3 &
12998 -6*e_2_0_2)
12999 e_3_1_3 = zeta*( c1*e_2_0_3 &
13000 +c2*e_3_0_3&
13001
13002 )
13003 e_3_0_4 = zetb*( c1*e_2_0_3 &
13004 +c3*e_3_0_3&
13005
13006 )
13007 e_4_1_3 = zeta*( c1*e_3_0_3 &
13008
13009
13010 )
13011 e_4_0_4 = zetb*( c1*e_3_0_3 &
13012
13013
13014 )
13015 e_0_1_4 = zetb*( &
13016 +c3*e_0_1_3&
13017 +2*e_1_1_3 &
13018 -6*e_0_1_2)
13019 e_1_1_4 = zetb*( c1*e_0_1_3 &
13020 +c3*e_1_1_3&
13021 +4*e_2_1_3 &
13022 -6*e_1_1_2)
13023 e_2_1_4 = zetb*( c1*e_1_1_3 &
13024 +c3*e_2_1_3&
13025 +6*e_3_1_3 &
13026 -6*e_2_1_2)
13027 e_3_1_4 = zetb*( c1*e_2_1_3 &
13028 +c3*e_3_1_3&
13029 +8*e_4_1_3 &
13030 -6*e_3_1_2)
13031 e_4_1_4 = zetb*( c1*e_3_1_3 &
13032 +c3*e_4_1_3&
13033
13034 )
13035 e_5_1_4 = zetb*( c1*e_4_1_3 &
13036
13037
13038 )
13039 e_0_1_4 = zeta*( &
13040 +c2*e_0_0_4&
13041 +2*e_1_0_4 &
13042 )
13043 e_1_1_4 = zeta*( c1*e_0_0_4 &
13044 +c2*e_1_0_4&
13045 +4*e_2_0_4 &
13046 )
13047 e_2_1_4 = zeta*( c1*e_1_0_4 &
13048 +c2*e_2_0_4&
13049 +6*e_3_0_4 &
13050 )
13051 e_3_1_4 = zeta*( c1*e_2_0_4 &
13052 +c2*e_3_0_4&
13053 +8*e_4_0_4 &
13054 )
13055 e_4_1_4 = zeta*( c1*e_3_0_4 &
13056 +c2*e_4_0_4&
13057
13058 )
13059 e_5_1_4 = zeta*( c1*e_4_0_4 &
13060
13061
13062 )
13063
13064 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13065 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13066 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13067 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
13068 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
13069 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
13070 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
13071 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13072 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
13073 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
13074 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13075 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
13076 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
13077 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13078 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13079 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
13080 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
13081 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13082 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13083 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
13084 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
13085 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13086 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13087 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13088 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
13089 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
13090 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13091 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13092 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13093 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
13094 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
13095 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13096 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13097 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13098 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13099 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
13100 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
13101 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
13102 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
13103 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
13104 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
13105 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
13106 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13107 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
13108 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
13109 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13110 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
13111 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
13112 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13113 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13114 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
13115 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
13116 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13117 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13118 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
13119 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
13120 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13121 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13122 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13123 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
13124 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
13125 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13126 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13127 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13128 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
13129 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
13130 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13131 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13132 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13133 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13134 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
13135 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
13136 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
13137 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
13138 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
13139 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13140 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
13141 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13142 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13143 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
13144 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13145 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13146 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13147 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13148 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13149 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13150 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13151 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13152 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13153 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13154 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13155 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13156 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13157 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13158 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13159 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13160 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13161 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13162 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13163 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13164 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13165 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13166 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13167 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13168 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13169 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
13170 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
13171 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
13172 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
13173 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
13174 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13175 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
13176 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
13177 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13178 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
13179 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
13180 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13181 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13182 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
13183 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
13184 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13185 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13186 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
13187 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
13188 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13189 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13190 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13191 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
13192 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
13193 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13194 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13195 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13196 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
13197 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
13198 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13199 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13200 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13201 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13202 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
13203 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
13204 r1 = r1 + dr
13205 END DO
13206
13207 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13208 END SUBROUTINE
13209 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_4_exp_0 ( &
13210 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13211 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13212 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13213 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13214 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13215 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13216 r_pow_t, r_tmp, rr1_delta, rr2_delta
13217
13218 REAL(kind=dp) :: c1, c2, c3
13219 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
13220 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
13221 & s_r_t2_9
13222 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
13223 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
13224 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
13225 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
13226 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
13227 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
13228 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
13229 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
13230 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
13231
13232
13233 dr = lgth
13234 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13235
13236 s_r(:, :, :) = 0.0_dp
13237
13238 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13239
13240 h_to_c_0_0 = sqrt(alpha/pi)
13241
13242 h_to_c_0_1 = 0.0_dp
13243 h_to_c_1_1 = +2*alpha*h_to_c_0_0
13244 h_to_c_0_2 = -1*h_to_c_1_1
13245 h_to_c_1_2 = +2*alpha*h_to_c_0_1
13246 h_to_c_2_2 = +2*alpha*h_to_c_1_1
13247 h_to_c_0_3 = -1*h_to_c_1_2
13248 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
13249 h_to_c_2_3 = +2*alpha*h_to_c_1_2
13250 h_to_c_3_3 = +2*alpha*h_to_c_2_2
13251 h_to_c_0_4 = -1*h_to_c_1_3
13252 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
13253 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
13254 h_to_c_3_4 = +2*alpha*h_to_c_2_3
13255 h_to_c_4_4 = +2*alpha*h_to_c_3_3
13256 h_to_c_0_5 = -1*h_to_c_1_4
13257 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
13258 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
13259 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
13260 h_to_c_4_5 = +2*alpha*h_to_c_3_4
13261 h_to_c_5_5 = +2*alpha*h_to_c_4_4
13262 h_to_c_0_6 = -1*h_to_c_1_5
13263 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
13264 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
13265 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
13266 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
13267 h_to_c_5_6 = +2*alpha*h_to_c_4_5
13268 h_to_c_6_6 = +2*alpha*h_to_c_5_5
13269 h_to_c_0_7 = -1*h_to_c_1_6
13270 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
13271 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
13272 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
13273 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
13274 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
13275 h_to_c_6_7 = +2*alpha*h_to_c_5_6
13276 h_to_c_7_7 = +2*alpha*h_to_c_6_6
13277 h_to_c_0_8 = -1*h_to_c_1_7
13278 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
13279 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
13280 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
13281 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
13282 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
13283 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
13284 h_to_c_7_8 = +2*alpha*h_to_c_6_7
13285 h_to_c_8_8 = +2*alpha*h_to_c_7_7
13286 h_to_c_0_9 = -1*h_to_c_1_8
13287 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
13288 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
13289 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
13290 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
13291 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
13292 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
13293 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
13294 h_to_c_8_9 = +2*alpha*h_to_c_7_8
13295 h_to_c_9_9 = +2*alpha*h_to_c_8_8
13296
13297
13298 rr1_delta = (ra - rb)/dr
13299
13300 rr1_l = ceiling(-r_c(1) + rr1_delta)
13301 rr1_r = floor(r_c(1) + rr1_delta)
13302
13303 r1 = rr1_l*dr
13304
13305 alpha_e = zeta*zetb/(zeta + zetb)
13306
13307 DO rr1 = rr1_l, rr1_r
13308 s_r_t_0 = 0.0_dp
13309 s_r_t2_0 = 0.0_dp
13310 s_r_t_1 = 0.0_dp
13311 s_r_t2_1 = 0.0_dp
13312 s_r_t_2 = 0.0_dp
13313 s_r_t2_2 = 0.0_dp
13314 s_r_t_3 = 0.0_dp
13315 s_r_t2_3 = 0.0_dp
13316 s_r_t_4 = 0.0_dp
13317 s_r_t2_4 = 0.0_dp
13318 s_r_t_5 = 0.0_dp
13319 s_r_t2_5 = 0.0_dp
13320 s_r_t_6 = 0.0_dp
13321 s_r_t2_6 = 0.0_dp
13322 s_r_t_7 = 0.0_dp
13323 s_r_t2_7 = 0.0_dp
13324 s_r_t_8 = 0.0_dp
13325 s_r_t2_8 = 0.0_dp
13326 s_r_t_9 = 0.0_dp
13327 s_r_t2_9 = 0.0_dp
13328 r_tmp = r_offset + r1*zeta/(zeta + zetb)
13329 rr2_delta = -r_tmp/dr
13330
13331 rr2_l = ceiling(-r_c(2) + rr2_delta)
13332 rr2_r = floor(r_c(2) + rr2_delta)
13333
13334 r = r_tmp + (rr2_l)*dr
13335
13336
13337 DO rr2 = rr2_l, rr2_r
13338 r_pow_t = 1.0_dp
13339 exp2_rsq = exp(-alpha*r*r)
13340 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
13341 r_pow_t = r_pow_t*r
13342 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
13343 r_pow_t = r_pow_t*r
13344 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
13345 r_pow_t = r_pow_t*r
13346 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
13347 r_pow_t = r_pow_t*r
13348 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
13349 r_pow_t = r_pow_t*r
13350 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
13351 r_pow_t = r_pow_t*r
13352 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
13353 r_pow_t = r_pow_t*r
13354 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
13355 r_pow_t = r_pow_t*r
13356 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
13357 r_pow_t = r_pow_t*r
13358 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
13359
13360 r = r + dr
13361 END DO
13362
13363 ! C --> H
13364 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
13365 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
13366 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
13367 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
13368 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
13369 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
13370 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
13371 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
13372 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
13373 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
13374 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
13375 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
13376 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
13377 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
13378 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
13379 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
13380 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
13381 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
13382 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
13383 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
13384 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
13385 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
13386 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
13387 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
13388 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
13389 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
13390 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
13391 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
13392 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
13393 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
13394 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
13395 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
13396 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
13397 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
13398 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
13399 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
13400 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
13401 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
13402 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
13403 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
13404 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
13405 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
13406 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
13407 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
13408 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
13409 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
13410 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
13411 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
13412 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
13413 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
13414 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
13415 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
13416 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
13417 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
13418 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
13419
13420 ! H --> HH
13421 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
13422
13423 c1 = 1.0_dp/(zeta + zetb)
13424 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
13425 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
13426
13427 e_0_1_0 = zeta*( &
13428 +c2*e_0_0_0&
13429
13430 )
13431 e_0_0_1 = zetb*( &
13432 +c3*e_0_0_0&
13433
13434 )
13435 e_1_1_0 = zeta*( c1*e_0_0_0 &
13436
13437
13438 )
13439 e_1_0_1 = zetb*( c1*e_0_0_0 &
13440
13441
13442 )
13443 e_0_1_1 = zetb*( &
13444 +c3*e_0_1_0&
13445 +2*e_1_1_0 &
13446 )
13447 e_1_1_1 = zetb*( c1*e_0_1_0 &
13448 +c3*e_1_1_0&
13449
13450 )
13451 e_2_1_1 = zetb*( c1*e_1_1_0 &
13452
13453
13454 )
13455 e_0_1_1 = zeta*( &
13456 +c2*e_0_0_1&
13457 +2*e_1_0_1 &
13458 )
13459 e_0_0_2 = zetb*( &
13460 +c3*e_0_0_1&
13461 +2*e_1_0_1 &
13462 -2*e_0_0_0)
13463 e_1_1_1 = zeta*( c1*e_0_0_1 &
13464 +c2*e_1_0_1&
13465
13466 )
13467 e_1_0_2 = zetb*( c1*e_0_0_1 &
13468 +c3*e_1_0_1&
13469
13470 )
13471 e_2_1_1 = zeta*( c1*e_1_0_1 &
13472
13473
13474 )
13475 e_2_0_2 = zetb*( c1*e_1_0_1 &
13476
13477
13478 )
13479 e_0_1_2 = zetb*( &
13480 +c3*e_0_1_1&
13481 +2*e_1_1_1 &
13482 -2*e_0_1_0)
13483 e_1_1_2 = zetb*( c1*e_0_1_1 &
13484 +c3*e_1_1_1&
13485 +4*e_2_1_1 &
13486 -2*e_1_1_0)
13487 e_2_1_2 = zetb*( c1*e_1_1_1 &
13488 +c3*e_2_1_1&
13489
13490 )
13491 e_3_1_2 = zetb*( c1*e_2_1_1 &
13492
13493
13494 )
13495 e_0_1_2 = zeta*( &
13496 +c2*e_0_0_2&
13497 +2*e_1_0_2 &
13498 )
13499 e_0_0_3 = zetb*( &
13500 +c3*e_0_0_2&
13501 +2*e_1_0_2 &
13502 -4*e_0_0_1)
13503 e_1_1_2 = zeta*( c1*e_0_0_2 &
13504 +c2*e_1_0_2&
13505 +4*e_2_0_2 &
13506 )
13507 e_1_0_3 = zetb*( c1*e_0_0_2 &
13508 +c3*e_1_0_2&
13509 +4*e_2_0_2 &
13510 -4*e_1_0_1)
13511 e_2_1_2 = zeta*( c1*e_1_0_2 &
13512 +c2*e_2_0_2&
13513
13514 )
13515 e_2_0_3 = zetb*( c1*e_1_0_2 &
13516 +c3*e_2_0_2&
13517
13518 )
13519 e_3_1_2 = zeta*( c1*e_2_0_2 &
13520
13521
13522 )
13523 e_3_0_3 = zetb*( c1*e_2_0_2 &
13524
13525
13526 )
13527 e_0_1_3 = zetb*( &
13528 +c3*e_0_1_2&
13529 +2*e_1_1_2 &
13530 -4*e_0_1_1)
13531 e_1_1_3 = zetb*( c1*e_0_1_2 &
13532 +c3*e_1_1_2&
13533 +4*e_2_1_2 &
13534 -4*e_1_1_1)
13535 e_2_1_3 = zetb*( c1*e_1_1_2 &
13536 +c3*e_2_1_2&
13537 +6*e_3_1_2 &
13538 -4*e_2_1_1)
13539 e_3_1_3 = zetb*( c1*e_2_1_2 &
13540 +c3*e_3_1_2&
13541
13542 )
13543 e_4_1_3 = zetb*( c1*e_3_1_2 &
13544
13545
13546 )
13547 e_0_1_3 = zeta*( &
13548 +c2*e_0_0_3&
13549 +2*e_1_0_3 &
13550 )
13551 e_0_0_4 = zetb*( &
13552 +c3*e_0_0_3&
13553 +2*e_1_0_3 &
13554 -6*e_0_0_2)
13555 e_1_1_3 = zeta*( c1*e_0_0_3 &
13556 +c2*e_1_0_3&
13557 +4*e_2_0_3 &
13558 )
13559 e_1_0_4 = zetb*( c1*e_0_0_3 &
13560 +c3*e_1_0_3&
13561 +4*e_2_0_3 &
13562 -6*e_1_0_2)
13563 e_2_1_3 = zeta*( c1*e_1_0_3 &
13564 +c2*e_2_0_3&
13565 +6*e_3_0_3 &
13566 )
13567 e_2_0_4 = zetb*( c1*e_1_0_3 &
13568 +c3*e_2_0_3&
13569 +6*e_3_0_3 &
13570 -6*e_2_0_2)
13571 e_3_1_3 = zeta*( c1*e_2_0_3 &
13572 +c2*e_3_0_3&
13573
13574 )
13575 e_3_0_4 = zetb*( c1*e_2_0_3 &
13576 +c3*e_3_0_3&
13577
13578 )
13579 e_4_1_3 = zeta*( c1*e_3_0_3 &
13580
13581
13582 )
13583 e_4_0_4 = zetb*( c1*e_3_0_3 &
13584
13585
13586 )
13587 e_0_1_4 = zetb*( &
13588 +c3*e_0_1_3&
13589 +2*e_1_1_3 &
13590 -6*e_0_1_2)
13591 e_1_1_4 = zetb*( c1*e_0_1_3 &
13592 +c3*e_1_1_3&
13593 +4*e_2_1_3 &
13594 -6*e_1_1_2)
13595 e_2_1_4 = zetb*( c1*e_1_1_3 &
13596 +c3*e_2_1_3&
13597 +6*e_3_1_3 &
13598 -6*e_2_1_2)
13599 e_3_1_4 = zetb*( c1*e_2_1_3 &
13600 +c3*e_3_1_3&
13601 +8*e_4_1_3 &
13602 -6*e_3_1_2)
13603 e_4_1_4 = zetb*( c1*e_3_1_3 &
13604 +c3*e_4_1_3&
13605
13606 )
13607 e_5_1_4 = zetb*( c1*e_4_1_3 &
13608
13609
13610 )
13611 e_0_1_4 = zeta*( &
13612 +c2*e_0_0_4&
13613 +2*e_1_0_4 &
13614 )
13615 e_1_1_4 = zeta*( c1*e_0_0_4 &
13616 +c2*e_1_0_4&
13617 +4*e_2_0_4 &
13618 )
13619 e_2_1_4 = zeta*( c1*e_1_0_4 &
13620 +c2*e_2_0_4&
13621 +6*e_3_0_4 &
13622 )
13623 e_3_1_4 = zeta*( c1*e_2_0_4 &
13624 +c2*e_3_0_4&
13625 +8*e_4_0_4 &
13626 )
13627 e_4_1_4 = zeta*( c1*e_3_0_4 &
13628 +c2*e_4_0_4&
13629
13630 )
13631 e_5_1_4 = zeta*( c1*e_4_0_4 &
13632
13633
13634 )
13635
13636 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13637 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13638 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13639 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
13640 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
13641 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
13642 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
13643 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13644 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
13645 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
13646 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13647 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
13648 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
13649 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13650 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13651 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
13652 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
13653 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13654 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13655 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
13656 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
13657 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13658 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13659 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13660 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
13661 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
13662 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13663 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13664 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13665 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
13666 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
13667 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13668 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13669 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13670 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13671 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
13672 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
13673 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
13674 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
13675 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
13676 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
13677 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
13678 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13679 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
13680 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
13681 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13682 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
13683 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
13684 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13685 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13686 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
13687 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
13688 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13689 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13690 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
13691 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
13692 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13693 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13694 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13695 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
13696 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
13697 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13698 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13699 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13700 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
13701 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
13702 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13703 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13704 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13705 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13706 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
13707 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
13708 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
13709 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
13710 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
13711 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13712 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
13713 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13714 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13715 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
13716 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13717 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13718 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13719 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13720 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13721 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13722 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13723 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13724 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13725 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13726 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13727 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13728 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13729 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13730 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13731 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13732 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13733 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13734 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13735 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13736 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13737 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13738 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13739 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13740 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13741 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
13742 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
13743 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
13744 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
13745 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
13746 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13747 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
13748 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
13749 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13750 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
13751 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
13752 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13753 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13754 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
13755 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
13756 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13757 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13758 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
13759 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
13760 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13761 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13762 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13763 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
13764 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
13765 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13766 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13767 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13768 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
13769 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
13770 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13771 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13772 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13773 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13774 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
13775 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
13776 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
13777 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
13778 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
13779 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
13780 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
13781 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13782 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
13783 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
13784 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13785 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
13786 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
13787 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13788 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13789 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
13790 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
13791 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13792 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13793 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
13794 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
13795 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13796 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13797 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13798 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
13799 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
13800 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13801 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13802 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13803 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
13804 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
13805 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13806 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13807 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13808 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13809 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
13810 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
13811 r1 = r1 + dr
13812 END DO
13813
13814 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13815 END SUBROUTINE
13816 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_0_exp_0 ( &
13817 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13818 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13819 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13820 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13821 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13822 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13823 r_pow_t, r_tmp, rr1_delta, rr2_delta
13824
13825 REAL(kind=dp) :: c1, c2, c3
13826 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
13827 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
13828 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
13829 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
13830
13831
13832 dr = lgth
13833 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13834
13835 s_r(:, :, :) = 0.0_dp
13836
13837 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13838
13839 h_to_c_0_0 = sqrt(alpha/pi)
13840
13841 h_to_c_0_1 = 0.0_dp
13842 h_to_c_1_1 = +2*alpha*h_to_c_0_0
13843 h_to_c_0_2 = -1*h_to_c_1_1
13844 h_to_c_1_2 = +2*alpha*h_to_c_0_1
13845 h_to_c_2_2 = +2*alpha*h_to_c_1_1
13846
13847
13848 rr1_delta = (ra - rb)/dr
13849
13850 rr1_l = ceiling(-r_c(1) + rr1_delta)
13851 rr1_r = floor(r_c(1) + rr1_delta)
13852
13853 r1 = rr1_l*dr
13854
13855 alpha_e = zeta*zetb/(zeta + zetb)
13856
13857 DO rr1 = rr1_l, rr1_r
13858 s_r_t_0 = 0.0_dp
13859 s_r_t2_0 = 0.0_dp
13860 s_r_t_1 = 0.0_dp
13861 s_r_t2_1 = 0.0_dp
13862 s_r_t_2 = 0.0_dp
13863 s_r_t2_2 = 0.0_dp
13864 r_tmp = r_offset + r1*zeta/(zeta + zetb)
13865 rr2_delta = -r_tmp/dr
13866
13867 rr2_l = ceiling(-r_c(2) + rr2_delta)
13868 rr2_r = floor(r_c(2) + rr2_delta)
13869
13870 r = r_tmp + (rr2_l)*dr
13871
13872
13873 DO rr2 = rr2_l, rr2_r
13874 r_pow_t = 1.0_dp
13875 exp2_rsq = exp(-alpha*r*r)
13876 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
13877 r_pow_t = r_pow_t*r
13878 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
13879 r_pow_t = r_pow_t*r
13880 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
13881
13882 r = r + dr
13883 END DO
13884
13885 ! C --> H
13886 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
13887 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
13888 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
13889 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
13890 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
13891 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
13892
13893 ! H --> HH
13894 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
13895
13896 c1 = 1.0_dp/(zeta + zetb)
13897 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
13898 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
13899
13900 e_0_1_0 = zeta*( &
13901 +c2*e_0_0_0&
13902
13903 )
13904 e_1_1_0 = zeta*( c1*e_0_0_0 &
13905
13906
13907 )
13908 e_0_2_0 = zeta*( &
13909 +c2*e_0_1_0&
13910 +2*e_1_1_0 &
13911 -2*e_0_0_0)
13912 e_1_2_0 = zeta*( c1*e_0_1_0 &
13913 +c2*e_1_1_0&
13914
13915 )
13916 e_2_2_0 = zeta*( c1*e_1_1_0 &
13917
13918
13919 )
13920
13921 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13922 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13923 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13924 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
13925 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
13926 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
13927 r1 = r1 + dr
13928 END DO
13929
13930 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13931 END SUBROUTINE
13932 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_1_exp_0 ( &
13933 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13934 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13935 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13936 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13937 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13938 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13939 r_pow_t, r_tmp, rr1_delta, rr2_delta
13940
13941 REAL(kind=dp) :: c1, c2, c3
13942 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
13943 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
13944 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
13945 & h_to_c_3_3
13946 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
13947
13948
13949 dr = lgth
13950 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13951
13952 s_r(:, :, :) = 0.0_dp
13953
13954 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13955
13956 h_to_c_0_0 = sqrt(alpha/pi)
13957
13958 h_to_c_0_1 = 0.0_dp
13959 h_to_c_1_1 = +2*alpha*h_to_c_0_0
13960 h_to_c_0_2 = -1*h_to_c_1_1
13961 h_to_c_1_2 = +2*alpha*h_to_c_0_1
13962 h_to_c_2_2 = +2*alpha*h_to_c_1_1
13963 h_to_c_0_3 = -1*h_to_c_1_2
13964 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
13965 h_to_c_2_3 = +2*alpha*h_to_c_1_2
13966 h_to_c_3_3 = +2*alpha*h_to_c_2_2
13967
13968
13969 rr1_delta = (ra - rb)/dr
13970
13971 rr1_l = ceiling(-r_c(1) + rr1_delta)
13972 rr1_r = floor(r_c(1) + rr1_delta)
13973
13974 r1 = rr1_l*dr
13975
13976 alpha_e = zeta*zetb/(zeta + zetb)
13977
13978 DO rr1 = rr1_l, rr1_r
13979 s_r_t_0 = 0.0_dp
13980 s_r_t2_0 = 0.0_dp
13981 s_r_t_1 = 0.0_dp
13982 s_r_t2_1 = 0.0_dp
13983 s_r_t_2 = 0.0_dp
13984 s_r_t2_2 = 0.0_dp
13985 s_r_t_3 = 0.0_dp
13986 s_r_t2_3 = 0.0_dp
13987 r_tmp = r_offset + r1*zeta/(zeta + zetb)
13988 rr2_delta = -r_tmp/dr
13989
13990 rr2_l = ceiling(-r_c(2) + rr2_delta)
13991 rr2_r = floor(r_c(2) + rr2_delta)
13992
13993 r = r_tmp + (rr2_l)*dr
13994
13995
13996 DO rr2 = rr2_l, rr2_r
13997 r_pow_t = 1.0_dp
13998 exp2_rsq = exp(-alpha*r*r)
13999 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14000 r_pow_t = r_pow_t*r
14001 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14002 r_pow_t = r_pow_t*r
14003 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14004 r_pow_t = r_pow_t*r
14005 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14006
14007 r = r + dr
14008 END DO
14009
14010 ! C --> H
14011 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14012 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14013 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14014 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14015 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14016 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14017 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14018 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14019 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14020 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14021
14022 ! H --> HH
14023 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14024
14025 c1 = 1.0_dp/(zeta + zetb)
14026 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14027 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14028
14029 e_0_1_0 = zeta*( &
14030 +c2*e_0_0_0&
14031
14032 )
14033 e_1_1_0 = zeta*( c1*e_0_0_0 &
14034
14035
14036 )
14037 e_0_2_0 = zeta*( &
14038 +c2*e_0_1_0&
14039 +2*e_1_1_0 &
14040 -2*e_0_0_0)
14041 e_1_2_0 = zeta*( c1*e_0_1_0 &
14042 +c2*e_1_1_0&
14043
14044 )
14045 e_2_2_0 = zeta*( c1*e_1_1_0 &
14046
14047
14048 )
14049
14050 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14051 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14052 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14053 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14054 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14055 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14056 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14057 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14058 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14059 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14060 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14061 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14062 r1 = r1 + dr
14063 END DO
14064
14065 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14066 END SUBROUTINE
14067 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_2_exp_0 ( &
14068 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14069 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14070 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14071 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14072 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14073 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14074 r_pow_t, r_tmp, rr1_delta, rr2_delta
14075
14076 REAL(kind=dp) :: c1, c2, c3
14077 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
14078 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
14079 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14080 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
14081 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14082
14083
14084 dr = lgth
14085 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14086
14087 s_r(:, :, :) = 0.0_dp
14088
14089 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14090
14091 h_to_c_0_0 = sqrt(alpha/pi)
14092
14093 h_to_c_0_1 = 0.0_dp
14094 h_to_c_1_1 = +2*alpha*h_to_c_0_0
14095 h_to_c_0_2 = -1*h_to_c_1_1
14096 h_to_c_1_2 = +2*alpha*h_to_c_0_1
14097 h_to_c_2_2 = +2*alpha*h_to_c_1_1
14098 h_to_c_0_3 = -1*h_to_c_1_2
14099 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14100 h_to_c_2_3 = +2*alpha*h_to_c_1_2
14101 h_to_c_3_3 = +2*alpha*h_to_c_2_2
14102 h_to_c_0_4 = -1*h_to_c_1_3
14103 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14104 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14105 h_to_c_3_4 = +2*alpha*h_to_c_2_3
14106 h_to_c_4_4 = +2*alpha*h_to_c_3_3
14107
14108
14109 rr1_delta = (ra - rb)/dr
14110
14111 rr1_l = ceiling(-r_c(1) + rr1_delta)
14112 rr1_r = floor(r_c(1) + rr1_delta)
14113
14114 r1 = rr1_l*dr
14115
14116 alpha_e = zeta*zetb/(zeta + zetb)
14117
14118 DO rr1 = rr1_l, rr1_r
14119 s_r_t_0 = 0.0_dp
14120 s_r_t2_0 = 0.0_dp
14121 s_r_t_1 = 0.0_dp
14122 s_r_t2_1 = 0.0_dp
14123 s_r_t_2 = 0.0_dp
14124 s_r_t2_2 = 0.0_dp
14125 s_r_t_3 = 0.0_dp
14126 s_r_t2_3 = 0.0_dp
14127 s_r_t_4 = 0.0_dp
14128 s_r_t2_4 = 0.0_dp
14129 r_tmp = r_offset + r1*zeta/(zeta + zetb)
14130 rr2_delta = -r_tmp/dr
14131
14132 rr2_l = ceiling(-r_c(2) + rr2_delta)
14133 rr2_r = floor(r_c(2) + rr2_delta)
14134
14135 r = r_tmp + (rr2_l)*dr
14136
14137
14138 DO rr2 = rr2_l, rr2_r
14139 r_pow_t = 1.0_dp
14140 exp2_rsq = exp(-alpha*r*r)
14141 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14142 r_pow_t = r_pow_t*r
14143 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14144 r_pow_t = r_pow_t*r
14145 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14146 r_pow_t = r_pow_t*r
14147 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14148 r_pow_t = r_pow_t*r
14149 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14150
14151 r = r + dr
14152 END DO
14153
14154 ! C --> H
14155 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14156 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14157 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14158 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14159 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14160 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14161 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14162 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14163 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14164 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14165 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14166 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14167 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14168 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14169 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14170
14171 ! H --> HH
14172 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14173
14174 c1 = 1.0_dp/(zeta + zetb)
14175 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14176 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14177
14178 e_0_1_0 = zeta*( &
14179 +c2*e_0_0_0&
14180
14181 )
14182 e_1_1_0 = zeta*( c1*e_0_0_0 &
14183
14184
14185 )
14186 e_0_2_0 = zeta*( &
14187 +c2*e_0_1_0&
14188 +2*e_1_1_0 &
14189 -2*e_0_0_0)
14190 e_1_2_0 = zeta*( c1*e_0_1_0 &
14191 +c2*e_1_1_0&
14192
14193 )
14194 e_2_2_0 = zeta*( c1*e_1_1_0 &
14195
14196
14197 )
14198
14199 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14200 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14201 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14202 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14203 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14204 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14205 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14206 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14207 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14208 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14209 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14210 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14211 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14212 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14213 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14214 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14215 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14216 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14217 r1 = r1 + dr
14218 END DO
14219
14220 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14221 END SUBROUTINE
14222 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_3_exp_0 ( &
14223 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14224 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14225 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14226 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14227 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14228 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14229 r_pow_t, r_tmp, rr1_delta, rr2_delta
14230
14231 REAL(kind=dp) :: c1, c2, c3
14232 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
14233 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
14234 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14235 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
14236 & h_to_c_4_5, h_to_c_5_5
14237 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14238
14239
14240 dr = lgth
14241 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14242
14243 s_r(:, :, :) = 0.0_dp
14244
14245 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14246
14247 h_to_c_0_0 = sqrt(alpha/pi)
14248
14249 h_to_c_0_1 = 0.0_dp
14250 h_to_c_1_1 = +2*alpha*h_to_c_0_0
14251 h_to_c_0_2 = -1*h_to_c_1_1
14252 h_to_c_1_2 = +2*alpha*h_to_c_0_1
14253 h_to_c_2_2 = +2*alpha*h_to_c_1_1
14254 h_to_c_0_3 = -1*h_to_c_1_2
14255 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14256 h_to_c_2_3 = +2*alpha*h_to_c_1_2
14257 h_to_c_3_3 = +2*alpha*h_to_c_2_2
14258 h_to_c_0_4 = -1*h_to_c_1_3
14259 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14260 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14261 h_to_c_3_4 = +2*alpha*h_to_c_2_3
14262 h_to_c_4_4 = +2*alpha*h_to_c_3_3
14263 h_to_c_0_5 = -1*h_to_c_1_4
14264 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
14265 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
14266 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
14267 h_to_c_4_5 = +2*alpha*h_to_c_3_4
14268 h_to_c_5_5 = +2*alpha*h_to_c_4_4
14269
14270
14271 rr1_delta = (ra - rb)/dr
14272
14273 rr1_l = ceiling(-r_c(1) + rr1_delta)
14274 rr1_r = floor(r_c(1) + rr1_delta)
14275
14276 r1 = rr1_l*dr
14277
14278 alpha_e = zeta*zetb/(zeta + zetb)
14279
14280 DO rr1 = rr1_l, rr1_r
14281 s_r_t_0 = 0.0_dp
14282 s_r_t2_0 = 0.0_dp
14283 s_r_t_1 = 0.0_dp
14284 s_r_t2_1 = 0.0_dp
14285 s_r_t_2 = 0.0_dp
14286 s_r_t2_2 = 0.0_dp
14287 s_r_t_3 = 0.0_dp
14288 s_r_t2_3 = 0.0_dp
14289 s_r_t_4 = 0.0_dp
14290 s_r_t2_4 = 0.0_dp
14291 s_r_t_5 = 0.0_dp
14292 s_r_t2_5 = 0.0_dp
14293 r_tmp = r_offset + r1*zeta/(zeta + zetb)
14294 rr2_delta = -r_tmp/dr
14295
14296 rr2_l = ceiling(-r_c(2) + rr2_delta)
14297 rr2_r = floor(r_c(2) + rr2_delta)
14298
14299 r = r_tmp + (rr2_l)*dr
14300
14301
14302 DO rr2 = rr2_l, rr2_r
14303 r_pow_t = 1.0_dp
14304 exp2_rsq = exp(-alpha*r*r)
14305 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14306 r_pow_t = r_pow_t*r
14307 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14308 r_pow_t = r_pow_t*r
14309 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14310 r_pow_t = r_pow_t*r
14311 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14312 r_pow_t = r_pow_t*r
14313 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14314 r_pow_t = r_pow_t*r
14315 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
14316
14317 r = r + dr
14318 END DO
14319
14320 ! C --> H
14321 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14322 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14323 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14324 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14325 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14326 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14327 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14328 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14329 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14330 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14331 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14332 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14333 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14334 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14335 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14336 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
14337 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
14338 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
14339 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
14340 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
14341 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
14342
14343 ! H --> HH
14344 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14345
14346 c1 = 1.0_dp/(zeta + zetb)
14347 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14348 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14349
14350 e_0_1_0 = zeta*( &
14351 +c2*e_0_0_0&
14352
14353 )
14354 e_1_1_0 = zeta*( c1*e_0_0_0 &
14355
14356
14357 )
14358 e_0_2_0 = zeta*( &
14359 +c2*e_0_1_0&
14360 +2*e_1_1_0 &
14361 -2*e_0_0_0)
14362 e_1_2_0 = zeta*( c1*e_0_1_0 &
14363 +c2*e_1_1_0&
14364
14365 )
14366 e_2_2_0 = zeta*( c1*e_1_1_0 &
14367
14368
14369 )
14370
14371 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14372 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14373 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14374 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14375 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14376 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14377 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14378 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14379 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14380 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14381 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14382 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14383 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14384 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14385 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14386 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14387 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14388 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14389 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
14390 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
14391 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
14392 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14393 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
14394 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
14395 r1 = r1 + dr
14396 END DO
14397
14398 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14399 END SUBROUTINE
14400 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_4_exp_0 ( &
14401 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14402 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14403 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14404 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14405 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14406 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14407 r_pow_t, r_tmp, rr1_delta, rr2_delta
14408
14409 REAL(kind=dp) :: c1, c2, c3
14410 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
14411 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
14412 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14413 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
14414 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
14415 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14416
14417
14418 dr = lgth
14419 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14420
14421 s_r(:, :, :) = 0.0_dp
14422
14423 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14424
14425 h_to_c_0_0 = sqrt(alpha/pi)
14426
14427 h_to_c_0_1 = 0.0_dp
14428 h_to_c_1_1 = +2*alpha*h_to_c_0_0
14429 h_to_c_0_2 = -1*h_to_c_1_1
14430 h_to_c_1_2 = +2*alpha*h_to_c_0_1
14431 h_to_c_2_2 = +2*alpha*h_to_c_1_1
14432 h_to_c_0_3 = -1*h_to_c_1_2
14433 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14434 h_to_c_2_3 = +2*alpha*h_to_c_1_2
14435 h_to_c_3_3 = +2*alpha*h_to_c_2_2
14436 h_to_c_0_4 = -1*h_to_c_1_3
14437 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14438 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14439 h_to_c_3_4 = +2*alpha*h_to_c_2_3
14440 h_to_c_4_4 = +2*alpha*h_to_c_3_3
14441 h_to_c_0_5 = -1*h_to_c_1_4
14442 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
14443 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
14444 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
14445 h_to_c_4_5 = +2*alpha*h_to_c_3_4
14446 h_to_c_5_5 = +2*alpha*h_to_c_4_4
14447 h_to_c_0_6 = -1*h_to_c_1_5
14448 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
14449 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
14450 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
14451 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
14452 h_to_c_5_6 = +2*alpha*h_to_c_4_5
14453 h_to_c_6_6 = +2*alpha*h_to_c_5_5
14454
14455
14456 rr1_delta = (ra - rb)/dr
14457
14458 rr1_l = ceiling(-r_c(1) + rr1_delta)
14459 rr1_r = floor(r_c(1) + rr1_delta)
14460
14461 r1 = rr1_l*dr
14462
14463 alpha_e = zeta*zetb/(zeta + zetb)
14464
14465 DO rr1 = rr1_l, rr1_r
14466 s_r_t_0 = 0.0_dp
14467 s_r_t2_0 = 0.0_dp
14468 s_r_t_1 = 0.0_dp
14469 s_r_t2_1 = 0.0_dp
14470 s_r_t_2 = 0.0_dp
14471 s_r_t2_2 = 0.0_dp
14472 s_r_t_3 = 0.0_dp
14473 s_r_t2_3 = 0.0_dp
14474 s_r_t_4 = 0.0_dp
14475 s_r_t2_4 = 0.0_dp
14476 s_r_t_5 = 0.0_dp
14477 s_r_t2_5 = 0.0_dp
14478 s_r_t_6 = 0.0_dp
14479 s_r_t2_6 = 0.0_dp
14480 r_tmp = r_offset + r1*zeta/(zeta + zetb)
14481 rr2_delta = -r_tmp/dr
14482
14483 rr2_l = ceiling(-r_c(2) + rr2_delta)
14484 rr2_r = floor(r_c(2) + rr2_delta)
14485
14486 r = r_tmp + (rr2_l)*dr
14487
14488
14489 DO rr2 = rr2_l, rr2_r
14490 r_pow_t = 1.0_dp
14491 exp2_rsq = exp(-alpha*r*r)
14492 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14493 r_pow_t = r_pow_t*r
14494 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14495 r_pow_t = r_pow_t*r
14496 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14497 r_pow_t = r_pow_t*r
14498 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14499 r_pow_t = r_pow_t*r
14500 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14501 r_pow_t = r_pow_t*r
14502 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
14503 r_pow_t = r_pow_t*r
14504 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
14505
14506 r = r + dr
14507 END DO
14508
14509 ! C --> H
14510 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14511 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14512 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14513 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14514 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14515 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14516 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14517 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14518 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14519 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14520 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14521 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14522 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14523 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14524 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14525 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
14526 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
14527 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
14528 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
14529 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
14530 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
14531 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
14532 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
14533 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
14534 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
14535 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
14536 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
14537 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
14538
14539 ! H --> HH
14540 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14541
14542 c1 = 1.0_dp/(zeta + zetb)
14543 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14544 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14545
14546 e_0_1_0 = zeta*( &
14547 +c2*e_0_0_0&
14548
14549 )
14550 e_1_1_0 = zeta*( c1*e_0_0_0 &
14551
14552
14553 )
14554 e_0_2_0 = zeta*( &
14555 +c2*e_0_1_0&
14556 +2*e_1_1_0 &
14557 -2*e_0_0_0)
14558 e_1_2_0 = zeta*( c1*e_0_1_0 &
14559 +c2*e_1_1_0&
14560
14561 )
14562 e_2_2_0 = zeta*( c1*e_1_1_0 &
14563
14564
14565 )
14566
14567 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14568 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14569 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14570 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14571 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14572 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14573 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14574 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14575 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14576 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14577 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14578 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14579 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14580 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14581 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14582 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14583 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14584 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14585 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
14586 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
14587 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
14588 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14589 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
14590 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
14591 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
14592 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
14593 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
14594 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14595 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
14596 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
14597 r1 = r1 + dr
14598 END DO
14599
14600 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14601 END SUBROUTINE
14602 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_0_exp_0 ( &
14603 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14604 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14605 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14606 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14607 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14608 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14609 r_pow_t, r_tmp, rr1_delta, rr2_delta
14610
14611 REAL(kind=dp) :: c1, c2, c3
14612 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
14613 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
14614 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14615 & h_to_c_3_3
14616 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
14617 & e_1_2_1, e_2_2_1, e_3_2_1
14618
14619
14620 dr = lgth
14621 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14622
14623 s_r(:, :, :) = 0.0_dp
14624
14625 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14626
14627 h_to_c_0_0 = sqrt(alpha/pi)
14628
14629 h_to_c_0_1 = 0.0_dp
14630 h_to_c_1_1 = +2*alpha*h_to_c_0_0
14631 h_to_c_0_2 = -1*h_to_c_1_1
14632 h_to_c_1_2 = +2*alpha*h_to_c_0_1
14633 h_to_c_2_2 = +2*alpha*h_to_c_1_1
14634 h_to_c_0_3 = -1*h_to_c_1_2
14635 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14636 h_to_c_2_3 = +2*alpha*h_to_c_1_2
14637 h_to_c_3_3 = +2*alpha*h_to_c_2_2
14638
14639
14640 rr1_delta = (ra - rb)/dr
14641
14642 rr1_l = ceiling(-r_c(1) + rr1_delta)
14643 rr1_r = floor(r_c(1) + rr1_delta)
14644
14645 r1 = rr1_l*dr
14646
14647 alpha_e = zeta*zetb/(zeta + zetb)
14648
14649 DO rr1 = rr1_l, rr1_r
14650 s_r_t_0 = 0.0_dp
14651 s_r_t2_0 = 0.0_dp
14652 s_r_t_1 = 0.0_dp
14653 s_r_t2_1 = 0.0_dp
14654 s_r_t_2 = 0.0_dp
14655 s_r_t2_2 = 0.0_dp
14656 s_r_t_3 = 0.0_dp
14657 s_r_t2_3 = 0.0_dp
14658 r_tmp = r_offset + r1*zeta/(zeta + zetb)
14659 rr2_delta = -r_tmp/dr
14660
14661 rr2_l = ceiling(-r_c(2) + rr2_delta)
14662 rr2_r = floor(r_c(2) + rr2_delta)
14663
14664 r = r_tmp + (rr2_l)*dr
14665
14666
14667 DO rr2 = rr2_l, rr2_r
14668 r_pow_t = 1.0_dp
14669 exp2_rsq = exp(-alpha*r*r)
14670 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14671 r_pow_t = r_pow_t*r
14672 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14673 r_pow_t = r_pow_t*r
14674 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14675 r_pow_t = r_pow_t*r
14676 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14677
14678 r = r + dr
14679 END DO
14680
14681 ! C --> H
14682 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14683 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14684 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14685 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14686 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14687 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14688 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14689 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14690 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14691 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14692
14693 ! H --> HH
14694 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14695
14696 c1 = 1.0_dp/(zeta + zetb)
14697 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14698 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14699
14700 e_0_1_0 = zeta*( &
14701 +c2*e_0_0_0&
14702
14703 )
14704 e_0_0_1 = zetb*( &
14705 +c3*e_0_0_0&
14706
14707 )
14708 e_1_1_0 = zeta*( c1*e_0_0_0 &
14709
14710
14711 )
14712 e_1_0_1 = zetb*( c1*e_0_0_0 &
14713
14714
14715 )
14716 e_0_2_0 = zeta*( &
14717 +c2*e_0_1_0&
14718 +2*e_1_1_0 &
14719 -2*e_0_0_0)
14720 e_0_1_1 = zetb*( &
14721 +c3*e_0_1_0&
14722 +2*e_1_1_0 &
14723 )
14724 e_1_2_0 = zeta*( c1*e_0_1_0 &
14725 +c2*e_1_1_0&
14726
14727 )
14728 e_1_1_1 = zetb*( c1*e_0_1_0 &
14729 +c3*e_1_1_0&
14730
14731 )
14732 e_2_2_0 = zeta*( c1*e_1_1_0 &
14733
14734
14735 )
14736 e_2_1_1 = zetb*( c1*e_1_1_0 &
14737
14738
14739 )
14740 e_0_2_1 = zetb*( &
14741 +c3*e_0_2_0&
14742 +2*e_1_2_0 &
14743 )
14744 e_1_2_1 = zetb*( c1*e_0_2_0 &
14745 +c3*e_1_2_0&
14746 +4*e_2_2_0 &
14747 )
14748 e_2_2_1 = zetb*( c1*e_1_2_0 &
14749 +c3*e_2_2_0&
14750
14751 )
14752 e_3_2_1 = zetb*( c1*e_2_2_0 &
14753
14754
14755 )
14756 e_0_1_1 = zeta*( &
14757 +c2*e_0_0_1&
14758 +2*e_1_0_1 &
14759 )
14760 e_1_1_1 = zeta*( c1*e_0_0_1 &
14761 +c2*e_1_0_1&
14762
14763 )
14764 e_2_1_1 = zeta*( c1*e_1_0_1 &
14765
14766
14767 )
14768 e_0_2_1 = zeta*( &
14769 +c2*e_0_1_1&
14770 +2*e_1_1_1 &
14771 -2*e_0_0_1)
14772 e_1_2_1 = zeta*( c1*e_0_1_1 &
14773 +c2*e_1_1_1&
14774 +4*e_2_1_1 &
14775 -2*e_1_0_1)
14776 e_2_2_1 = zeta*( c1*e_1_1_1 &
14777 +c2*e_2_1_1&
14778
14779 )
14780 e_3_2_1 = zeta*( c1*e_2_1_1 &
14781
14782
14783 )
14784
14785 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14786 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14787 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14788 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14789 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14790 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14791 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
14792 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
14793 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
14794 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
14795 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
14796 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
14797 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
14798 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
14799 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
14800 r1 = r1 + dr
14801 END DO
14802
14803 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14804 END SUBROUTINE
14805 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_1_exp_0 ( &
14806 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14807 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14808 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14809 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14810 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14811 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14812 r_pow_t, r_tmp, rr1_delta, rr2_delta
14813
14814 REAL(kind=dp) :: c1, c2, c3
14815 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
14816 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
14817 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14818 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
14819 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
14820 & e_1_2_1, e_2_2_1, e_3_2_1
14821
14822
14823 dr = lgth
14824 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14825
14826 s_r(:, :, :) = 0.0_dp
14827
14828 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14829
14830 h_to_c_0_0 = sqrt(alpha/pi)
14831
14832 h_to_c_0_1 = 0.0_dp
14833 h_to_c_1_1 = +2*alpha*h_to_c_0_0
14834 h_to_c_0_2 = -1*h_to_c_1_1
14835 h_to_c_1_2 = +2*alpha*h_to_c_0_1
14836 h_to_c_2_2 = +2*alpha*h_to_c_1_1
14837 h_to_c_0_3 = -1*h_to_c_1_2
14838 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14839 h_to_c_2_3 = +2*alpha*h_to_c_1_2
14840 h_to_c_3_3 = +2*alpha*h_to_c_2_2
14841 h_to_c_0_4 = -1*h_to_c_1_3
14842 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14843 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14844 h_to_c_3_4 = +2*alpha*h_to_c_2_3
14845 h_to_c_4_4 = +2*alpha*h_to_c_3_3
14846
14847
14848 rr1_delta = (ra - rb)/dr
14849
14850 rr1_l = ceiling(-r_c(1) + rr1_delta)
14851 rr1_r = floor(r_c(1) + rr1_delta)
14852
14853 r1 = rr1_l*dr
14854
14855 alpha_e = zeta*zetb/(zeta + zetb)
14856
14857 DO rr1 = rr1_l, rr1_r
14858 s_r_t_0 = 0.0_dp
14859 s_r_t2_0 = 0.0_dp
14860 s_r_t_1 = 0.0_dp
14861 s_r_t2_1 = 0.0_dp
14862 s_r_t_2 = 0.0_dp
14863 s_r_t2_2 = 0.0_dp
14864 s_r_t_3 = 0.0_dp
14865 s_r_t2_3 = 0.0_dp
14866 s_r_t_4 = 0.0_dp
14867 s_r_t2_4 = 0.0_dp
14868 r_tmp = r_offset + r1*zeta/(zeta + zetb)
14869 rr2_delta = -r_tmp/dr
14870
14871 rr2_l = ceiling(-r_c(2) + rr2_delta)
14872 rr2_r = floor(r_c(2) + rr2_delta)
14873
14874 r = r_tmp + (rr2_l)*dr
14875
14876
14877 DO rr2 = rr2_l, rr2_r
14878 r_pow_t = 1.0_dp
14879 exp2_rsq = exp(-alpha*r*r)
14880 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14881 r_pow_t = r_pow_t*r
14882 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14883 r_pow_t = r_pow_t*r
14884 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14885 r_pow_t = r_pow_t*r
14886 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14887 r_pow_t = r_pow_t*r
14888 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14889
14890 r = r + dr
14891 END DO
14892
14893 ! C --> H
14894 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14895 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14896 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14897 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14898 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14899 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14900 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14901 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14902 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14903 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14904 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14905 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14906 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14907 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14908 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14909
14910 ! H --> HH
14911 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14912
14913 c1 = 1.0_dp/(zeta + zetb)
14914 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14915 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14916
14917 e_0_1_0 = zeta*( &
14918 +c2*e_0_0_0&
14919
14920 )
14921 e_0_0_1 = zetb*( &
14922 +c3*e_0_0_0&
14923
14924 )
14925 e_1_1_0 = zeta*( c1*e_0_0_0 &
14926
14927
14928 )
14929 e_1_0_1 = zetb*( c1*e_0_0_0 &
14930
14931
14932 )
14933 e_0_2_0 = zeta*( &
14934 +c2*e_0_1_0&
14935 +2*e_1_1_0 &
14936 -2*e_0_0_0)
14937 e_0_1_1 = zetb*( &
14938 +c3*e_0_1_0&
14939 +2*e_1_1_0 &
14940 )
14941 e_1_2_0 = zeta*( c1*e_0_1_0 &
14942 +c2*e_1_1_0&
14943
14944 )
14945 e_1_1_1 = zetb*( c1*e_0_1_0 &
14946 +c3*e_1_1_0&
14947
14948 )
14949 e_2_2_0 = zeta*( c1*e_1_1_0 &
14950
14951
14952 )
14953 e_2_1_1 = zetb*( c1*e_1_1_0 &
14954
14955
14956 )
14957 e_0_2_1 = zetb*( &
14958 +c3*e_0_2_0&
14959 +2*e_1_2_0 &
14960 )
14961 e_1_2_1 = zetb*( c1*e_0_2_0 &
14962 +c3*e_1_2_0&
14963 +4*e_2_2_0 &
14964 )
14965 e_2_2_1 = zetb*( c1*e_1_2_0 &
14966 +c3*e_2_2_0&
14967
14968 )
14969 e_3_2_1 = zetb*( c1*e_2_2_0 &
14970
14971
14972 )
14973 e_0_1_1 = zeta*( &
14974 +c2*e_0_0_1&
14975 +2*e_1_0_1 &
14976 )
14977 e_1_1_1 = zeta*( c1*e_0_0_1 &
14978 +c2*e_1_0_1&
14979
14980 )
14981 e_2_1_1 = zeta*( c1*e_1_0_1 &
14982
14983
14984 )
14985 e_0_2_1 = zeta*( &
14986 +c2*e_0_1_1&
14987 +2*e_1_1_1 &
14988 -2*e_0_0_1)
14989 e_1_2_1 = zeta*( c1*e_0_1_1 &
14990 +c2*e_1_1_1&
14991 +4*e_2_1_1 &
14992 -2*e_1_0_1)
14993 e_2_2_1 = zeta*( c1*e_1_1_1 &
14994 +c2*e_2_1_1&
14995
14996 )
14997 e_3_2_1 = zeta*( c1*e_2_1_1 &
14998
14999
15000 )
15001
15002 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15003 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15004 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15005 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15006 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15007 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15008 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15009 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15010 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15011 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15012 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15013 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15014 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15015 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15016 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15017 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15018 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15019 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15020 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15021 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15022 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15023 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15024 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15025 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15026 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15027 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15028 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15029 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15030 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15031 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15032 r1 = r1 + dr
15033 END DO
15034
15035 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15036 END SUBROUTINE
15037 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_2_exp_0 ( &
15038 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15039 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15040 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15041 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15042 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15043 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15044 r_pow_t, r_tmp, rr1_delta, rr2_delta
15045
15046 REAL(kind=dp) :: c1, c2, c3
15047 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
15048 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
15049 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15050 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15051 & h_to_c_4_5, h_to_c_5_5
15052 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15053 & e_1_2_1, e_2_2_1, e_3_2_1
15054
15055
15056 dr = lgth
15057 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15058
15059 s_r(:, :, :) = 0.0_dp
15060
15061 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15062
15063 h_to_c_0_0 = sqrt(alpha/pi)
15064
15065 h_to_c_0_1 = 0.0_dp
15066 h_to_c_1_1 = +2*alpha*h_to_c_0_0
15067 h_to_c_0_2 = -1*h_to_c_1_1
15068 h_to_c_1_2 = +2*alpha*h_to_c_0_1
15069 h_to_c_2_2 = +2*alpha*h_to_c_1_1
15070 h_to_c_0_3 = -1*h_to_c_1_2
15071 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15072 h_to_c_2_3 = +2*alpha*h_to_c_1_2
15073 h_to_c_3_3 = +2*alpha*h_to_c_2_2
15074 h_to_c_0_4 = -1*h_to_c_1_3
15075 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15076 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15077 h_to_c_3_4 = +2*alpha*h_to_c_2_3
15078 h_to_c_4_4 = +2*alpha*h_to_c_3_3
15079 h_to_c_0_5 = -1*h_to_c_1_4
15080 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15081 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15082 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15083 h_to_c_4_5 = +2*alpha*h_to_c_3_4
15084 h_to_c_5_5 = +2*alpha*h_to_c_4_4
15085
15086
15087 rr1_delta = (ra - rb)/dr
15088
15089 rr1_l = ceiling(-r_c(1) + rr1_delta)
15090 rr1_r = floor(r_c(1) + rr1_delta)
15091
15092 r1 = rr1_l*dr
15093
15094 alpha_e = zeta*zetb/(zeta + zetb)
15095
15096 DO rr1 = rr1_l, rr1_r
15097 s_r_t_0 = 0.0_dp
15098 s_r_t2_0 = 0.0_dp
15099 s_r_t_1 = 0.0_dp
15100 s_r_t2_1 = 0.0_dp
15101 s_r_t_2 = 0.0_dp
15102 s_r_t2_2 = 0.0_dp
15103 s_r_t_3 = 0.0_dp
15104 s_r_t2_3 = 0.0_dp
15105 s_r_t_4 = 0.0_dp
15106 s_r_t2_4 = 0.0_dp
15107 s_r_t_5 = 0.0_dp
15108 s_r_t2_5 = 0.0_dp
15109 r_tmp = r_offset + r1*zeta/(zeta + zetb)
15110 rr2_delta = -r_tmp/dr
15111
15112 rr2_l = ceiling(-r_c(2) + rr2_delta)
15113 rr2_r = floor(r_c(2) + rr2_delta)
15114
15115 r = r_tmp + (rr2_l)*dr
15116
15117
15118 DO rr2 = rr2_l, rr2_r
15119 r_pow_t = 1.0_dp
15120 exp2_rsq = exp(-alpha*r*r)
15121 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15122 r_pow_t = r_pow_t*r
15123 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15124 r_pow_t = r_pow_t*r
15125 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15126 r_pow_t = r_pow_t*r
15127 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15128 r_pow_t = r_pow_t*r
15129 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15130 r_pow_t = r_pow_t*r
15131 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15132
15133 r = r + dr
15134 END DO
15135
15136 ! C --> H
15137 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15138 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15139 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15140 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15141 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15142 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15143 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15144 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15145 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15146 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15147 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15148 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15149 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15150 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15151 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15152 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15153 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15154 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15155 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15156 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15157 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15158
15159 ! H --> HH
15160 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15161
15162 c1 = 1.0_dp/(zeta + zetb)
15163 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15164 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15165
15166 e_0_1_0 = zeta*( &
15167 +c2*e_0_0_0&
15168
15169 )
15170 e_0_0_1 = zetb*( &
15171 +c3*e_0_0_0&
15172
15173 )
15174 e_1_1_0 = zeta*( c1*e_0_0_0 &
15175
15176
15177 )
15178 e_1_0_1 = zetb*( c1*e_0_0_0 &
15179
15180
15181 )
15182 e_0_2_0 = zeta*( &
15183 +c2*e_0_1_0&
15184 +2*e_1_1_0 &
15185 -2*e_0_0_0)
15186 e_0_1_1 = zetb*( &
15187 +c3*e_0_1_0&
15188 +2*e_1_1_0 &
15189 )
15190 e_1_2_0 = zeta*( c1*e_0_1_0 &
15191 +c2*e_1_1_0&
15192
15193 )
15194 e_1_1_1 = zetb*( c1*e_0_1_0 &
15195 +c3*e_1_1_0&
15196
15197 )
15198 e_2_2_0 = zeta*( c1*e_1_1_0 &
15199
15200
15201 )
15202 e_2_1_1 = zetb*( c1*e_1_1_0 &
15203
15204
15205 )
15206 e_0_2_1 = zetb*( &
15207 +c3*e_0_2_0&
15208 +2*e_1_2_0 &
15209 )
15210 e_1_2_1 = zetb*( c1*e_0_2_0 &
15211 +c3*e_1_2_0&
15212 +4*e_2_2_0 &
15213 )
15214 e_2_2_1 = zetb*( c1*e_1_2_0 &
15215 +c3*e_2_2_0&
15216
15217 )
15218 e_3_2_1 = zetb*( c1*e_2_2_0 &
15219
15220
15221 )
15222 e_0_1_1 = zeta*( &
15223 +c2*e_0_0_1&
15224 +2*e_1_0_1 &
15225 )
15226 e_1_1_1 = zeta*( c1*e_0_0_1 &
15227 +c2*e_1_0_1&
15228
15229 )
15230 e_2_1_1 = zeta*( c1*e_1_0_1 &
15231
15232
15233 )
15234 e_0_2_1 = zeta*( &
15235 +c2*e_0_1_1&
15236 +2*e_1_1_1 &
15237 -2*e_0_0_1)
15238 e_1_2_1 = zeta*( c1*e_0_1_1 &
15239 +c2*e_1_1_1&
15240 +4*e_2_1_1 &
15241 -2*e_1_0_1)
15242 e_2_2_1 = zeta*( c1*e_1_1_1 &
15243 +c2*e_2_1_1&
15244
15245 )
15246 e_3_2_1 = zeta*( c1*e_2_1_1 &
15247
15248
15249 )
15250
15251 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15252 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15253 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15254 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15255 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15256 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15257 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15258 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15259 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15260 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15261 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15262 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15263 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15264 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15265 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15266 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15267 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15268 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15269 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15270 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15271 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15272 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15273 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15274 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15275 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15276 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15277 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15278 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15279 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15280 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15281 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15282 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15283 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15284 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15285 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15286 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15287 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15288 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15289 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15290 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15291 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15292 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15293 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15294 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15295 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15296 r1 = r1 + dr
15297 END DO
15298
15299 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15300 END SUBROUTINE
15301 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_3_exp_0 ( &
15302 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15303 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15304 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15305 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15306 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15307 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15308 r_pow_t, r_tmp, rr1_delta, rr2_delta
15309
15310 REAL(kind=dp) :: c1, c2, c3
15311 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
15312 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
15313 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15314 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15315 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
15316 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15317 & e_1_2_1, e_2_2_1, e_3_2_1
15318
15319
15320 dr = lgth
15321 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15322
15323 s_r(:, :, :) = 0.0_dp
15324
15325 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15326
15327 h_to_c_0_0 = sqrt(alpha/pi)
15328
15329 h_to_c_0_1 = 0.0_dp
15330 h_to_c_1_1 = +2*alpha*h_to_c_0_0
15331 h_to_c_0_2 = -1*h_to_c_1_1
15332 h_to_c_1_2 = +2*alpha*h_to_c_0_1
15333 h_to_c_2_2 = +2*alpha*h_to_c_1_1
15334 h_to_c_0_3 = -1*h_to_c_1_2
15335 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15336 h_to_c_2_3 = +2*alpha*h_to_c_1_2
15337 h_to_c_3_3 = +2*alpha*h_to_c_2_2
15338 h_to_c_0_4 = -1*h_to_c_1_3
15339 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15340 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15341 h_to_c_3_4 = +2*alpha*h_to_c_2_3
15342 h_to_c_4_4 = +2*alpha*h_to_c_3_3
15343 h_to_c_0_5 = -1*h_to_c_1_4
15344 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15345 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15346 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15347 h_to_c_4_5 = +2*alpha*h_to_c_3_4
15348 h_to_c_5_5 = +2*alpha*h_to_c_4_4
15349 h_to_c_0_6 = -1*h_to_c_1_5
15350 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
15351 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
15352 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
15353 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
15354 h_to_c_5_6 = +2*alpha*h_to_c_4_5
15355 h_to_c_6_6 = +2*alpha*h_to_c_5_5
15356
15357
15358 rr1_delta = (ra - rb)/dr
15359
15360 rr1_l = ceiling(-r_c(1) + rr1_delta)
15361 rr1_r = floor(r_c(1) + rr1_delta)
15362
15363 r1 = rr1_l*dr
15364
15365 alpha_e = zeta*zetb/(zeta + zetb)
15366
15367 DO rr1 = rr1_l, rr1_r
15368 s_r_t_0 = 0.0_dp
15369 s_r_t2_0 = 0.0_dp
15370 s_r_t_1 = 0.0_dp
15371 s_r_t2_1 = 0.0_dp
15372 s_r_t_2 = 0.0_dp
15373 s_r_t2_2 = 0.0_dp
15374 s_r_t_3 = 0.0_dp
15375 s_r_t2_3 = 0.0_dp
15376 s_r_t_4 = 0.0_dp
15377 s_r_t2_4 = 0.0_dp
15378 s_r_t_5 = 0.0_dp
15379 s_r_t2_5 = 0.0_dp
15380 s_r_t_6 = 0.0_dp
15381 s_r_t2_6 = 0.0_dp
15382 r_tmp = r_offset + r1*zeta/(zeta + zetb)
15383 rr2_delta = -r_tmp/dr
15384
15385 rr2_l = ceiling(-r_c(2) + rr2_delta)
15386 rr2_r = floor(r_c(2) + rr2_delta)
15387
15388 r = r_tmp + (rr2_l)*dr
15389
15390
15391 DO rr2 = rr2_l, rr2_r
15392 r_pow_t = 1.0_dp
15393 exp2_rsq = exp(-alpha*r*r)
15394 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15395 r_pow_t = r_pow_t*r
15396 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15397 r_pow_t = r_pow_t*r
15398 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15399 r_pow_t = r_pow_t*r
15400 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15401 r_pow_t = r_pow_t*r
15402 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15403 r_pow_t = r_pow_t*r
15404 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15405 r_pow_t = r_pow_t*r
15406 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
15407
15408 r = r + dr
15409 END DO
15410
15411 ! C --> H
15412 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15413 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15414 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15415 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15416 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15417 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15418 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15419 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15420 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15421 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15422 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15423 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15424 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15425 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15426 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15427 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15428 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15429 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15430 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15431 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15432 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15433 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
15434 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
15435 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
15436 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
15437 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
15438 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
15439 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
15440
15441 ! H --> HH
15442 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15443
15444 c1 = 1.0_dp/(zeta + zetb)
15445 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15446 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15447
15448 e_0_1_0 = zeta*( &
15449 +c2*e_0_0_0&
15450
15451 )
15452 e_0_0_1 = zetb*( &
15453 +c3*e_0_0_0&
15454
15455 )
15456 e_1_1_0 = zeta*( c1*e_0_0_0 &
15457
15458
15459 )
15460 e_1_0_1 = zetb*( c1*e_0_0_0 &
15461
15462
15463 )
15464 e_0_2_0 = zeta*( &
15465 +c2*e_0_1_0&
15466 +2*e_1_1_0 &
15467 -2*e_0_0_0)
15468 e_0_1_1 = zetb*( &
15469 +c3*e_0_1_0&
15470 +2*e_1_1_0 &
15471 )
15472 e_1_2_0 = zeta*( c1*e_0_1_0 &
15473 +c2*e_1_1_0&
15474
15475 )
15476 e_1_1_1 = zetb*( c1*e_0_1_0 &
15477 +c3*e_1_1_0&
15478
15479 )
15480 e_2_2_0 = zeta*( c1*e_1_1_0 &
15481
15482
15483 )
15484 e_2_1_1 = zetb*( c1*e_1_1_0 &
15485
15486
15487 )
15488 e_0_2_1 = zetb*( &
15489 +c3*e_0_2_0&
15490 +2*e_1_2_0 &
15491 )
15492 e_1_2_1 = zetb*( c1*e_0_2_0 &
15493 +c3*e_1_2_0&
15494 +4*e_2_2_0 &
15495 )
15496 e_2_2_1 = zetb*( c1*e_1_2_0 &
15497 +c3*e_2_2_0&
15498
15499 )
15500 e_3_2_1 = zetb*( c1*e_2_2_0 &
15501
15502
15503 )
15504 e_0_1_1 = zeta*( &
15505 +c2*e_0_0_1&
15506 +2*e_1_0_1 &
15507 )
15508 e_1_1_1 = zeta*( c1*e_0_0_1 &
15509 +c2*e_1_0_1&
15510
15511 )
15512 e_2_1_1 = zeta*( c1*e_1_0_1 &
15513
15514
15515 )
15516 e_0_2_1 = zeta*( &
15517 +c2*e_0_1_1&
15518 +2*e_1_1_1 &
15519 -2*e_0_0_1)
15520 e_1_2_1 = zeta*( c1*e_0_1_1 &
15521 +c2*e_1_1_1&
15522 +4*e_2_1_1 &
15523 -2*e_1_0_1)
15524 e_2_2_1 = zeta*( c1*e_1_1_1 &
15525 +c2*e_2_1_1&
15526
15527 )
15528 e_3_2_1 = zeta*( c1*e_2_1_1 &
15529
15530
15531 )
15532
15533 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15534 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15535 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15536 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15537 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15538 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15539 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15540 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15541 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15542 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15543 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15544 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15545 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15546 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15547 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15548 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15549 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15550 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15551 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15552 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15553 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15554 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15555 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15556 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15557 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15558 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15559 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15560 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15561 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15562 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15563 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15564 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15565 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15566 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15567 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15568 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15569 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15570 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15571 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15572 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15573 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15574 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15575 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15576 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15577 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15578 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
15579 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
15580 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
15581 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15582 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
15583 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
15584 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
15585 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
15586 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15587 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
15588 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
15589 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15590 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15591 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
15592 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
15593 r1 = r1 + dr
15594 END DO
15595
15596 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15597 END SUBROUTINE
15598 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_4_exp_0 ( &
15599 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15600 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15601 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15602 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15603 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15604 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15605 r_pow_t, r_tmp, rr1_delta, rr2_delta
15606
15607 REAL(kind=dp) :: c1, c2, c3
15608 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
15609 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
15610 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15611 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15612 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
15613 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
15614 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15615 & e_1_2_1, e_2_2_1, e_3_2_1
15616
15617
15618 dr = lgth
15619 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15620
15621 s_r(:, :, :) = 0.0_dp
15622
15623 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15624
15625 h_to_c_0_0 = sqrt(alpha/pi)
15626
15627 h_to_c_0_1 = 0.0_dp
15628 h_to_c_1_1 = +2*alpha*h_to_c_0_0
15629 h_to_c_0_2 = -1*h_to_c_1_1
15630 h_to_c_1_2 = +2*alpha*h_to_c_0_1
15631 h_to_c_2_2 = +2*alpha*h_to_c_1_1
15632 h_to_c_0_3 = -1*h_to_c_1_2
15633 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15634 h_to_c_2_3 = +2*alpha*h_to_c_1_2
15635 h_to_c_3_3 = +2*alpha*h_to_c_2_2
15636 h_to_c_0_4 = -1*h_to_c_1_3
15637 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15638 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15639 h_to_c_3_4 = +2*alpha*h_to_c_2_3
15640 h_to_c_4_4 = +2*alpha*h_to_c_3_3
15641 h_to_c_0_5 = -1*h_to_c_1_4
15642 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15643 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15644 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15645 h_to_c_4_5 = +2*alpha*h_to_c_3_4
15646 h_to_c_5_5 = +2*alpha*h_to_c_4_4
15647 h_to_c_0_6 = -1*h_to_c_1_5
15648 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
15649 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
15650 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
15651 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
15652 h_to_c_5_6 = +2*alpha*h_to_c_4_5
15653 h_to_c_6_6 = +2*alpha*h_to_c_5_5
15654 h_to_c_0_7 = -1*h_to_c_1_6
15655 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
15656 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
15657 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
15658 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
15659 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
15660 h_to_c_6_7 = +2*alpha*h_to_c_5_6
15661 h_to_c_7_7 = +2*alpha*h_to_c_6_6
15662
15663
15664 rr1_delta = (ra - rb)/dr
15665
15666 rr1_l = ceiling(-r_c(1) + rr1_delta)
15667 rr1_r = floor(r_c(1) + rr1_delta)
15668
15669 r1 = rr1_l*dr
15670
15671 alpha_e = zeta*zetb/(zeta + zetb)
15672
15673 DO rr1 = rr1_l, rr1_r
15674 s_r_t_0 = 0.0_dp
15675 s_r_t2_0 = 0.0_dp
15676 s_r_t_1 = 0.0_dp
15677 s_r_t2_1 = 0.0_dp
15678 s_r_t_2 = 0.0_dp
15679 s_r_t2_2 = 0.0_dp
15680 s_r_t_3 = 0.0_dp
15681 s_r_t2_3 = 0.0_dp
15682 s_r_t_4 = 0.0_dp
15683 s_r_t2_4 = 0.0_dp
15684 s_r_t_5 = 0.0_dp
15685 s_r_t2_5 = 0.0_dp
15686 s_r_t_6 = 0.0_dp
15687 s_r_t2_6 = 0.0_dp
15688 s_r_t_7 = 0.0_dp
15689 s_r_t2_7 = 0.0_dp
15690 r_tmp = r_offset + r1*zeta/(zeta + zetb)
15691 rr2_delta = -r_tmp/dr
15692
15693 rr2_l = ceiling(-r_c(2) + rr2_delta)
15694 rr2_r = floor(r_c(2) + rr2_delta)
15695
15696 r = r_tmp + (rr2_l)*dr
15697
15698
15699 DO rr2 = rr2_l, rr2_r
15700 r_pow_t = 1.0_dp
15701 exp2_rsq = exp(-alpha*r*r)
15702 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15703 r_pow_t = r_pow_t*r
15704 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15705 r_pow_t = r_pow_t*r
15706 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15707 r_pow_t = r_pow_t*r
15708 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15709 r_pow_t = r_pow_t*r
15710 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15711 r_pow_t = r_pow_t*r
15712 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15713 r_pow_t = r_pow_t*r
15714 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
15715 r_pow_t = r_pow_t*r
15716 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
15717
15718 r = r + dr
15719 END DO
15720
15721 ! C --> H
15722 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15723 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15724 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15725 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15726 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15727 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15728 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15729 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15730 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15731 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15732 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15733 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15734 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15735 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15736 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15737 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15738 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15739 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15740 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15741 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15742 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15743 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
15744 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
15745 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
15746 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
15747 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
15748 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
15749 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
15750 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
15751 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
15752 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
15753 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
15754 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
15755 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
15756 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
15757 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
15758
15759 ! H --> HH
15760 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15761
15762 c1 = 1.0_dp/(zeta + zetb)
15763 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15764 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15765
15766 e_0_1_0 = zeta*( &
15767 +c2*e_0_0_0&
15768
15769 )
15770 e_0_0_1 = zetb*( &
15771 +c3*e_0_0_0&
15772
15773 )
15774 e_1_1_0 = zeta*( c1*e_0_0_0 &
15775
15776
15777 )
15778 e_1_0_1 = zetb*( c1*e_0_0_0 &
15779
15780
15781 )
15782 e_0_2_0 = zeta*( &
15783 +c2*e_0_1_0&
15784 +2*e_1_1_0 &
15785 -2*e_0_0_0)
15786 e_0_1_1 = zetb*( &
15787 +c3*e_0_1_0&
15788 +2*e_1_1_0 &
15789 )
15790 e_1_2_0 = zeta*( c1*e_0_1_0 &
15791 +c2*e_1_1_0&
15792
15793 )
15794 e_1_1_1 = zetb*( c1*e_0_1_0 &
15795 +c3*e_1_1_0&
15796
15797 )
15798 e_2_2_0 = zeta*( c1*e_1_1_0 &
15799
15800
15801 )
15802 e_2_1_1 = zetb*( c1*e_1_1_0 &
15803
15804
15805 )
15806 e_0_2_1 = zetb*( &
15807 +c3*e_0_2_0&
15808 +2*e_1_2_0 &
15809 )
15810 e_1_2_1 = zetb*( c1*e_0_2_0 &
15811 +c3*e_1_2_0&
15812 +4*e_2_2_0 &
15813 )
15814 e_2_2_1 = zetb*( c1*e_1_2_0 &
15815 +c3*e_2_2_0&
15816
15817 )
15818 e_3_2_1 = zetb*( c1*e_2_2_0 &
15819
15820
15821 )
15822 e_0_1_1 = zeta*( &
15823 +c2*e_0_0_1&
15824 +2*e_1_0_1 &
15825 )
15826 e_1_1_1 = zeta*( c1*e_0_0_1 &
15827 +c2*e_1_0_1&
15828
15829 )
15830 e_2_1_1 = zeta*( c1*e_1_0_1 &
15831
15832
15833 )
15834 e_0_2_1 = zeta*( &
15835 +c2*e_0_1_1&
15836 +2*e_1_1_1 &
15837 -2*e_0_0_1)
15838 e_1_2_1 = zeta*( c1*e_0_1_1 &
15839 +c2*e_1_1_1&
15840 +4*e_2_1_1 &
15841 -2*e_1_0_1)
15842 e_2_2_1 = zeta*( c1*e_1_1_1 &
15843 +c2*e_2_1_1&
15844
15845 )
15846 e_3_2_1 = zeta*( c1*e_2_1_1 &
15847
15848
15849 )
15850
15851 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15852 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15853 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15854 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15855 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15856 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15857 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15858 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15859 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15860 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15861 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15862 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15863 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15864 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15865 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15866 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15867 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15868 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15869 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15870 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15871 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15872 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15873 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15874 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15875 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15876 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15877 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15878 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15879 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15880 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15881 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15882 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15883 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15884 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15885 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15886 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15887 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15888 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15889 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15890 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15891 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15892 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15893 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15894 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15895 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15896 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
15897 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
15898 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
15899 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15900 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
15901 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
15902 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
15903 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
15904 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15905 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
15906 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
15907 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15908 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15909 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
15910 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
15911 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
15912 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
15913 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
15914 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15915 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
15916 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
15917 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
15918 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
15919 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15920 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
15921 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
15922 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15923 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15924 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
15925 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
15926 r1 = r1 + dr
15927 END DO
15928
15929 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15930 END SUBROUTINE
15931 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_0_exp_0 ( &
15932 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15933 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15934 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15935 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15936 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15937 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15938 r_pow_t, r_tmp, rr1_delta, rr2_delta
15939
15940 REAL(kind=dp) :: c1, c2, c3
15941 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
15942 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
15943 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15944 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
15945 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15946 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
15947 & e_3_2_2, e_4_2_2
15948
15949
15950 dr = lgth
15951 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15952
15953 s_r(:, :, :) = 0.0_dp
15954
15955 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15956
15957 h_to_c_0_0 = sqrt(alpha/pi)
15958
15959 h_to_c_0_1 = 0.0_dp
15960 h_to_c_1_1 = +2*alpha*h_to_c_0_0
15961 h_to_c_0_2 = -1*h_to_c_1_1
15962 h_to_c_1_2 = +2*alpha*h_to_c_0_1
15963 h_to_c_2_2 = +2*alpha*h_to_c_1_1
15964 h_to_c_0_3 = -1*h_to_c_1_2
15965 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15966 h_to_c_2_3 = +2*alpha*h_to_c_1_2
15967 h_to_c_3_3 = +2*alpha*h_to_c_2_2
15968 h_to_c_0_4 = -1*h_to_c_1_3
15969 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15970 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15971 h_to_c_3_4 = +2*alpha*h_to_c_2_3
15972 h_to_c_4_4 = +2*alpha*h_to_c_3_3
15973
15974
15975 rr1_delta = (ra - rb)/dr
15976
15977 rr1_l = ceiling(-r_c(1) + rr1_delta)
15978 rr1_r = floor(r_c(1) + rr1_delta)
15979
15980 r1 = rr1_l*dr
15981
15982 alpha_e = zeta*zetb/(zeta + zetb)
15983
15984 DO rr1 = rr1_l, rr1_r
15985 s_r_t_0 = 0.0_dp
15986 s_r_t2_0 = 0.0_dp
15987 s_r_t_1 = 0.0_dp
15988 s_r_t2_1 = 0.0_dp
15989 s_r_t_2 = 0.0_dp
15990 s_r_t2_2 = 0.0_dp
15991 s_r_t_3 = 0.0_dp
15992 s_r_t2_3 = 0.0_dp
15993 s_r_t_4 = 0.0_dp
15994 s_r_t2_4 = 0.0_dp
15995 r_tmp = r_offset + r1*zeta/(zeta + zetb)
15996 rr2_delta = -r_tmp/dr
15997
15998 rr2_l = ceiling(-r_c(2) + rr2_delta)
15999 rr2_r = floor(r_c(2) + rr2_delta)
16000
16001 r = r_tmp + (rr2_l)*dr
16002
16003
16004 DO rr2 = rr2_l, rr2_r
16005 r_pow_t = 1.0_dp
16006 exp2_rsq = exp(-alpha*r*r)
16007 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16008 r_pow_t = r_pow_t*r
16009 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16010 r_pow_t = r_pow_t*r
16011 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16012 r_pow_t = r_pow_t*r
16013 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16014 r_pow_t = r_pow_t*r
16015 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16016
16017 r = r + dr
16018 END DO
16019
16020 ! C --> H
16021 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16022 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16023 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16024 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16025 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16026 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16027 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16028 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16029 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16030 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16031 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16032 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16033 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16034 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16035 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16036
16037 ! H --> HH
16038 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16039
16040 c1 = 1.0_dp/(zeta + zetb)
16041 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16042 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16043
16044 e_0_1_0 = zeta*( &
16045 +c2*e_0_0_0&
16046
16047 )
16048 e_0_0_1 = zetb*( &
16049 +c3*e_0_0_0&
16050
16051 )
16052 e_1_1_0 = zeta*( c1*e_0_0_0 &
16053
16054
16055 )
16056 e_1_0_1 = zetb*( c1*e_0_0_0 &
16057
16058
16059 )
16060 e_0_2_0 = zeta*( &
16061 +c2*e_0_1_0&
16062 +2*e_1_1_0 &
16063 -2*e_0_0_0)
16064 e_0_1_1 = zetb*( &
16065 +c3*e_0_1_0&
16066 +2*e_1_1_0 &
16067 )
16068 e_1_2_0 = zeta*( c1*e_0_1_0 &
16069 +c2*e_1_1_0&
16070
16071 )
16072 e_1_1_1 = zetb*( c1*e_0_1_0 &
16073 +c3*e_1_1_0&
16074
16075 )
16076 e_2_2_0 = zeta*( c1*e_1_1_0 &
16077
16078
16079 )
16080 e_2_1_1 = zetb*( c1*e_1_1_0 &
16081
16082
16083 )
16084 e_0_2_1 = zetb*( &
16085 +c3*e_0_2_0&
16086 +2*e_1_2_0 &
16087 )
16088 e_1_2_1 = zetb*( c1*e_0_2_0 &
16089 +c3*e_1_2_0&
16090 +4*e_2_2_0 &
16091 )
16092 e_2_2_1 = zetb*( c1*e_1_2_0 &
16093 +c3*e_2_2_0&
16094
16095 )
16096 e_3_2_1 = zetb*( c1*e_2_2_0 &
16097
16098
16099 )
16100 e_0_1_1 = zeta*( &
16101 +c2*e_0_0_1&
16102 +2*e_1_0_1 &
16103 )
16104 e_0_0_2 = zetb*( &
16105 +c3*e_0_0_1&
16106 +2*e_1_0_1 &
16107 -2*e_0_0_0)
16108 e_1_1_1 = zeta*( c1*e_0_0_1 &
16109 +c2*e_1_0_1&
16110
16111 )
16112 e_1_0_2 = zetb*( c1*e_0_0_1 &
16113 +c3*e_1_0_1&
16114
16115 )
16116 e_2_1_1 = zeta*( c1*e_1_0_1 &
16117
16118
16119 )
16120 e_2_0_2 = zetb*( c1*e_1_0_1 &
16121
16122
16123 )
16124 e_0_2_1 = zeta*( &
16125 +c2*e_0_1_1&
16126 +2*e_1_1_1 &
16127 -2*e_0_0_1)
16128 e_0_1_2 = zetb*( &
16129 +c3*e_0_1_1&
16130 +2*e_1_1_1 &
16131 -2*e_0_1_0)
16132 e_1_2_1 = zeta*( c1*e_0_1_1 &
16133 +c2*e_1_1_1&
16134 +4*e_2_1_1 &
16135 -2*e_1_0_1)
16136 e_1_1_2 = zetb*( c1*e_0_1_1 &
16137 +c3*e_1_1_1&
16138 +4*e_2_1_1 &
16139 -2*e_1_1_0)
16140 e_2_2_1 = zeta*( c1*e_1_1_1 &
16141 +c2*e_2_1_1&
16142
16143 )
16144 e_2_1_2 = zetb*( c1*e_1_1_1 &
16145 +c3*e_2_1_1&
16146
16147 )
16148 e_3_2_1 = zeta*( c1*e_2_1_1 &
16149
16150
16151 )
16152 e_3_1_2 = zetb*( c1*e_2_1_1 &
16153
16154
16155 )
16156 e_0_2_2 = zetb*( &
16157 +c3*e_0_2_1&
16158 +2*e_1_2_1 &
16159 -2*e_0_2_0)
16160 e_1_2_2 = zetb*( c1*e_0_2_1 &
16161 +c3*e_1_2_1&
16162 +4*e_2_2_1 &
16163 -2*e_1_2_0)
16164 e_2_2_2 = zetb*( c1*e_1_2_1 &
16165 +c3*e_2_2_1&
16166 +6*e_3_2_1 &
16167 -2*e_2_2_0)
16168 e_3_2_2 = zetb*( c1*e_2_2_1 &
16169 +c3*e_3_2_1&
16170
16171 )
16172 e_4_2_2 = zetb*( c1*e_3_2_1 &
16173
16174
16175 )
16176 e_0_1_2 = zeta*( &
16177 +c2*e_0_0_2&
16178 +2*e_1_0_2 &
16179 )
16180 e_1_1_2 = zeta*( c1*e_0_0_2 &
16181 +c2*e_1_0_2&
16182 +4*e_2_0_2 &
16183 )
16184 e_2_1_2 = zeta*( c1*e_1_0_2 &
16185 +c2*e_2_0_2&
16186
16187 )
16188 e_3_1_2 = zeta*( c1*e_2_0_2 &
16189
16190
16191 )
16192 e_0_2_2 = zeta*( &
16193 +c2*e_0_1_2&
16194 +2*e_1_1_2 &
16195 -2*e_0_0_2)
16196 e_1_2_2 = zeta*( c1*e_0_1_2 &
16197 +c2*e_1_1_2&
16198 +4*e_2_1_2 &
16199 -2*e_1_0_2)
16200 e_2_2_2 = zeta*( c1*e_1_1_2 &
16201 +c2*e_2_1_2&
16202 +6*e_3_1_2 &
16203 -2*e_2_0_2)
16204 e_3_2_2 = zeta*( c1*e_2_1_2 &
16205 +c2*e_3_1_2&
16206
16207 )
16208 e_4_2_2 = zeta*( c1*e_3_1_2 &
16209
16210
16211 )
16212
16213 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16214 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16215 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16216 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16217 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16218 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16219 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16220 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16221 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16222 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16223 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16224 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16225 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16226 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16227 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16228 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16229 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16230 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16231 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16232 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16233 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16234 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16235 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16236 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16237 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16238 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16239 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16240 r1 = r1 + dr
16241 END DO
16242
16243 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
16244 END SUBROUTINE
16245 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_1_exp_0 ( &
16246 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
16247 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
16248 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
16249 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
16250 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
16251 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
16252 r_pow_t, r_tmp, rr1_delta, rr2_delta
16253
16254 REAL(kind=dp) :: c1, c2, c3
16255 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
16256 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
16257 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
16258 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
16259 & h_to_c_4_5, h_to_c_5_5
16260 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
16261 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
16262 & e_3_2_2, e_4_2_2
16263
16264
16265 dr = lgth
16266 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
16267
16268 s_r(:, :, :) = 0.0_dp
16269
16270 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
16271
16272 h_to_c_0_0 = sqrt(alpha/pi)
16273
16274 h_to_c_0_1 = 0.0_dp
16275 h_to_c_1_1 = +2*alpha*h_to_c_0_0
16276 h_to_c_0_2 = -1*h_to_c_1_1
16277 h_to_c_1_2 = +2*alpha*h_to_c_0_1
16278 h_to_c_2_2 = +2*alpha*h_to_c_1_1
16279 h_to_c_0_3 = -1*h_to_c_1_2
16280 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
16281 h_to_c_2_3 = +2*alpha*h_to_c_1_2
16282 h_to_c_3_3 = +2*alpha*h_to_c_2_2
16283 h_to_c_0_4 = -1*h_to_c_1_3
16284 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
16285 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
16286 h_to_c_3_4 = +2*alpha*h_to_c_2_3
16287 h_to_c_4_4 = +2*alpha*h_to_c_3_3
16288 h_to_c_0_5 = -1*h_to_c_1_4
16289 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
16290 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
16291 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
16292 h_to_c_4_5 = +2*alpha*h_to_c_3_4
16293 h_to_c_5_5 = +2*alpha*h_to_c_4_4
16294
16295
16296 rr1_delta = (ra - rb)/dr
16297
16298 rr1_l = ceiling(-r_c(1) + rr1_delta)
16299 rr1_r = floor(r_c(1) + rr1_delta)
16300
16301 r1 = rr1_l*dr
16302
16303 alpha_e = zeta*zetb/(zeta + zetb)
16304
16305 DO rr1 = rr1_l, rr1_r
16306 s_r_t_0 = 0.0_dp
16307 s_r_t2_0 = 0.0_dp
16308 s_r_t_1 = 0.0_dp
16309 s_r_t2_1 = 0.0_dp
16310 s_r_t_2 = 0.0_dp
16311 s_r_t2_2 = 0.0_dp
16312 s_r_t_3 = 0.0_dp
16313 s_r_t2_3 = 0.0_dp
16314 s_r_t_4 = 0.0_dp
16315 s_r_t2_4 = 0.0_dp
16316 s_r_t_5 = 0.0_dp
16317 s_r_t2_5 = 0.0_dp
16318 r_tmp = r_offset + r1*zeta/(zeta + zetb)
16319 rr2_delta = -r_tmp/dr
16320
16321 rr2_l = ceiling(-r_c(2) + rr2_delta)
16322 rr2_r = floor(r_c(2) + rr2_delta)
16323
16324 r = r_tmp + (rr2_l)*dr
16325
16326
16327 DO rr2 = rr2_l, rr2_r
16328 r_pow_t = 1.0_dp
16329 exp2_rsq = exp(-alpha*r*r)
16330 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16331 r_pow_t = r_pow_t*r
16332 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16333 r_pow_t = r_pow_t*r
16334 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16335 r_pow_t = r_pow_t*r
16336 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16337 r_pow_t = r_pow_t*r
16338 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16339 r_pow_t = r_pow_t*r
16340 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
16341
16342 r = r + dr
16343 END DO
16344
16345 ! C --> H
16346 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16347 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16348 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16349 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16350 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16351 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16352 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16353 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16354 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16355 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16356 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16357 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16358 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16359 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16360 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16361 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
16362 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
16363 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
16364 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
16365 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
16366 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
16367
16368 ! H --> HH
16369 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16370
16371 c1 = 1.0_dp/(zeta + zetb)
16372 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16373 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16374
16375 e_0_1_0 = zeta*( &
16376 +c2*e_0_0_0&
16377
16378 )
16379 e_0_0_1 = zetb*( &
16380 +c3*e_0_0_0&
16381
16382 )
16383 e_1_1_0 = zeta*( c1*e_0_0_0 &
16384
16385
16386 )
16387 e_1_0_1 = zetb*( c1*e_0_0_0 &
16388
16389
16390 )
16391 e_0_2_0 = zeta*( &
16392 +c2*e_0_1_0&
16393 +2*e_1_1_0 &
16394 -2*e_0_0_0)
16395 e_0_1_1 = zetb*( &
16396 +c3*e_0_1_0&
16397 +2*e_1_1_0 &
16398 )
16399 e_1_2_0 = zeta*( c1*e_0_1_0 &
16400 +c2*e_1_1_0&
16401
16402 )
16403 e_1_1_1 = zetb*( c1*e_0_1_0 &
16404 +c3*e_1_1_0&
16405
16406 )
16407 e_2_2_0 = zeta*( c1*e_1_1_0 &
16408
16409
16410 )
16411 e_2_1_1 = zetb*( c1*e_1_1_0 &
16412
16413
16414 )
16415 e_0_2_1 = zetb*( &
16416 +c3*e_0_2_0&
16417 +2*e_1_2_0 &
16418 )
16419 e_1_2_1 = zetb*( c1*e_0_2_0 &
16420 +c3*e_1_2_0&
16421 +4*e_2_2_0 &
16422 )
16423 e_2_2_1 = zetb*( c1*e_1_2_0 &
16424 +c3*e_2_2_0&
16425
16426 )
16427 e_3_2_1 = zetb*( c1*e_2_2_0 &
16428
16429
16430 )
16431 e_0_1_1 = zeta*( &
16432 +c2*e_0_0_1&
16433 +2*e_1_0_1 &
16434 )
16435 e_0_0_2 = zetb*( &
16436 +c3*e_0_0_1&
16437 +2*e_1_0_1 &
16438 -2*e_0_0_0)
16439 e_1_1_1 = zeta*( c1*e_0_0_1 &
16440 +c2*e_1_0_1&
16441
16442 )
16443 e_1_0_2 = zetb*( c1*e_0_0_1 &
16444 +c3*e_1_0_1&
16445
16446 )
16447 e_2_1_1 = zeta*( c1*e_1_0_1 &
16448
16449
16450 )
16451 e_2_0_2 = zetb*( c1*e_1_0_1 &
16452
16453
16454 )
16455 e_0_2_1 = zeta*( &
16456 +c2*e_0_1_1&
16457 +2*e_1_1_1 &
16458 -2*e_0_0_1)
16459 e_0_1_2 = zetb*( &
16460 +c3*e_0_1_1&
16461 +2*e_1_1_1 &
16462 -2*e_0_1_0)
16463 e_1_2_1 = zeta*( c1*e_0_1_1 &
16464 +c2*e_1_1_1&
16465 +4*e_2_1_1 &
16466 -2*e_1_0_1)
16467 e_1_1_2 = zetb*( c1*e_0_1_1 &
16468 +c3*e_1_1_1&
16469 +4*e_2_1_1 &
16470 -2*e_1_1_0)
16471 e_2_2_1 = zeta*( c1*e_1_1_1 &
16472 +c2*e_2_1_1&
16473
16474 )
16475 e_2_1_2 = zetb*( c1*e_1_1_1 &
16476 +c3*e_2_1_1&
16477
16478 )
16479 e_3_2_1 = zeta*( c1*e_2_1_1 &
16480
16481
16482 )
16483 e_3_1_2 = zetb*( c1*e_2_1_1 &
16484
16485
16486 )
16487 e_0_2_2 = zetb*( &
16488 +c3*e_0_2_1&
16489 +2*e_1_2_1 &
16490 -2*e_0_2_0)
16491 e_1_2_2 = zetb*( c1*e_0_2_1 &
16492 +c3*e_1_2_1&
16493 +4*e_2_2_1 &
16494 -2*e_1_2_0)
16495 e_2_2_2 = zetb*( c1*e_1_2_1 &
16496 +c3*e_2_2_1&
16497 +6*e_3_2_1 &
16498 -2*e_2_2_0)
16499 e_3_2_2 = zetb*( c1*e_2_2_1 &
16500 +c3*e_3_2_1&
16501
16502 )
16503 e_4_2_2 = zetb*( c1*e_3_2_1 &
16504
16505
16506 )
16507 e_0_1_2 = zeta*( &
16508 +c2*e_0_0_2&
16509 +2*e_1_0_2 &
16510 )
16511 e_1_1_2 = zeta*( c1*e_0_0_2 &
16512 +c2*e_1_0_2&
16513 +4*e_2_0_2 &
16514 )
16515 e_2_1_2 = zeta*( c1*e_1_0_2 &
16516 +c2*e_2_0_2&
16517
16518 )
16519 e_3_1_2 = zeta*( c1*e_2_0_2 &
16520
16521
16522 )
16523 e_0_2_2 = zeta*( &
16524 +c2*e_0_1_2&
16525 +2*e_1_1_2 &
16526 -2*e_0_0_2)
16527 e_1_2_2 = zeta*( c1*e_0_1_2 &
16528 +c2*e_1_1_2&
16529 +4*e_2_1_2 &
16530 -2*e_1_0_2)
16531 e_2_2_2 = zeta*( c1*e_1_1_2 &
16532 +c2*e_2_1_2&
16533 +6*e_3_1_2 &
16534 -2*e_2_0_2)
16535 e_3_2_2 = zeta*( c1*e_2_1_2 &
16536 +c2*e_3_1_2&
16537
16538 )
16539 e_4_2_2 = zeta*( c1*e_3_1_2 &
16540
16541
16542 )
16543
16544 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16545 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16546 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16547 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16548 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16549 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16550 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16551 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16552 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16553 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16554 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16555 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16556 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16557 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16558 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16559 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16560 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16561 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16562 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16563 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16564 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16565 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16566 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16567 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16568 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16569 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16570 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16571 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
16572 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
16573 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
16574 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
16575 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
16576 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
16577 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
16578 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
16579 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
16580 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
16581 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
16582 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
16583 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
16584 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
16585 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
16586 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
16587 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
16588 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
16589 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
16590 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
16591 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
16592 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
16593 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
16594 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
16595 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
16596 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
16597 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
16598 r1 = r1 + dr
16599 END DO
16600
16601 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
16602 END SUBROUTINE
16603 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_2_exp_0 ( &
16604 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
16605 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
16606 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
16607 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
16608 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
16609 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
16610 r_pow_t, r_tmp, rr1_delta, rr2_delta
16611
16612 REAL(kind=dp) :: c1, c2, c3
16613 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
16614 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
16615 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
16616 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
16617 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
16618 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
16619 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
16620 & e_3_2_2, e_4_2_2
16621
16622
16623 dr = lgth
16624 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
16625
16626 s_r(:, :, :) = 0.0_dp
16627
16628 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
16629
16630 h_to_c_0_0 = sqrt(alpha/pi)
16631
16632 h_to_c_0_1 = 0.0_dp
16633 h_to_c_1_1 = +2*alpha*h_to_c_0_0
16634 h_to_c_0_2 = -1*h_to_c_1_1
16635 h_to_c_1_2 = +2*alpha*h_to_c_0_1
16636 h_to_c_2_2 = +2*alpha*h_to_c_1_1
16637 h_to_c_0_3 = -1*h_to_c_1_2
16638 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
16639 h_to_c_2_3 = +2*alpha*h_to_c_1_2
16640 h_to_c_3_3 = +2*alpha*h_to_c_2_2
16641 h_to_c_0_4 = -1*h_to_c_1_3
16642 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
16643 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
16644 h_to_c_3_4 = +2*alpha*h_to_c_2_3
16645 h_to_c_4_4 = +2*alpha*h_to_c_3_3
16646 h_to_c_0_5 = -1*h_to_c_1_4
16647 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
16648 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
16649 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
16650 h_to_c_4_5 = +2*alpha*h_to_c_3_4
16651 h_to_c_5_5 = +2*alpha*h_to_c_4_4
16652 h_to_c_0_6 = -1*h_to_c_1_5
16653 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
16654 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
16655 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
16656 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
16657 h_to_c_5_6 = +2*alpha*h_to_c_4_5
16658 h_to_c_6_6 = +2*alpha*h_to_c_5_5
16659
16660
16661 rr1_delta = (ra - rb)/dr
16662
16663 rr1_l = ceiling(-r_c(1) + rr1_delta)
16664 rr1_r = floor(r_c(1) + rr1_delta)
16665
16666 r1 = rr1_l*dr
16667
16668 alpha_e = zeta*zetb/(zeta + zetb)
16669
16670 DO rr1 = rr1_l, rr1_r
16671 s_r_t_0 = 0.0_dp
16672 s_r_t2_0 = 0.0_dp
16673 s_r_t_1 = 0.0_dp
16674 s_r_t2_1 = 0.0_dp
16675 s_r_t_2 = 0.0_dp
16676 s_r_t2_2 = 0.0_dp
16677 s_r_t_3 = 0.0_dp
16678 s_r_t2_3 = 0.0_dp
16679 s_r_t_4 = 0.0_dp
16680 s_r_t2_4 = 0.0_dp
16681 s_r_t_5 = 0.0_dp
16682 s_r_t2_5 = 0.0_dp
16683 s_r_t_6 = 0.0_dp
16684 s_r_t2_6 = 0.0_dp
16685 r_tmp = r_offset + r1*zeta/(zeta + zetb)
16686 rr2_delta = -r_tmp/dr
16687
16688 rr2_l = ceiling(-r_c(2) + rr2_delta)
16689 rr2_r = floor(r_c(2) + rr2_delta)
16690
16691 r = r_tmp + (rr2_l)*dr
16692
16693
16694 DO rr2 = rr2_l, rr2_r
16695 r_pow_t = 1.0_dp
16696 exp2_rsq = exp(-alpha*r*r)
16697 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16698 r_pow_t = r_pow_t*r
16699 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16700 r_pow_t = r_pow_t*r
16701 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16702 r_pow_t = r_pow_t*r
16703 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16704 r_pow_t = r_pow_t*r
16705 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16706 r_pow_t = r_pow_t*r
16707 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
16708 r_pow_t = r_pow_t*r
16709 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
16710
16711 r = r + dr
16712 END DO
16713
16714 ! C --> H
16715 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16716 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16717 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16718 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16719 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16720 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16721 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16722 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16723 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16724 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16725 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16726 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16727 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16728 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16729 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16730 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
16731 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
16732 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
16733 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
16734 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
16735 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
16736 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
16737 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
16738 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
16739 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
16740 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
16741 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
16742 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
16743
16744 ! H --> HH
16745 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16746
16747 c1 = 1.0_dp/(zeta + zetb)
16748 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16749 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16750
16751 e_0_1_0 = zeta*( &
16752 +c2*e_0_0_0&
16753
16754 )
16755 e_0_0_1 = zetb*( &
16756 +c3*e_0_0_0&
16757
16758 )
16759 e_1_1_0 = zeta*( c1*e_0_0_0 &
16760
16761
16762 )
16763 e_1_0_1 = zetb*( c1*e_0_0_0 &
16764
16765
16766 )
16767 e_0_2_0 = zeta*( &
16768 +c2*e_0_1_0&
16769 +2*e_1_1_0 &
16770 -2*e_0_0_0)
16771 e_0_1_1 = zetb*( &
16772 +c3*e_0_1_0&
16773 +2*e_1_1_0 &
16774 )
16775 e_1_2_0 = zeta*( c1*e_0_1_0 &
16776 +c2*e_1_1_0&
16777
16778 )
16779 e_1_1_1 = zetb*( c1*e_0_1_0 &
16780 +c3*e_1_1_0&
16781
16782 )
16783 e_2_2_0 = zeta*( c1*e_1_1_0 &
16784
16785
16786 )
16787 e_2_1_1 = zetb*( c1*e_1_1_0 &
16788
16789
16790 )
16791 e_0_2_1 = zetb*( &
16792 +c3*e_0_2_0&
16793 +2*e_1_2_0 &
16794 )
16795 e_1_2_1 = zetb*( c1*e_0_2_0 &
16796 +c3*e_1_2_0&
16797 +4*e_2_2_0 &
16798 )
16799 e_2_2_1 = zetb*( c1*e_1_2_0 &
16800 +c3*e_2_2_0&
16801
16802 )
16803 e_3_2_1 = zetb*( c1*e_2_2_0 &
16804
16805
16806 )
16807 e_0_1_1 = zeta*( &
16808 +c2*e_0_0_1&
16809 +2*e_1_0_1 &
16810 )
16811 e_0_0_2 = zetb*( &
16812 +c3*e_0_0_1&
16813 +2*e_1_0_1 &
16814 -2*e_0_0_0)
16815 e_1_1_1 = zeta*( c1*e_0_0_1 &
16816 +c2*e_1_0_1&
16817
16818 )
16819 e_1_0_2 = zetb*( c1*e_0_0_1 &
16820 +c3*e_1_0_1&
16821
16822 )
16823 e_2_1_1 = zeta*( c1*e_1_0_1 &
16824
16825
16826 )
16827 e_2_0_2 = zetb*( c1*e_1_0_1 &
16828
16829
16830 )
16831 e_0_2_1 = zeta*( &
16832 +c2*e_0_1_1&
16833 +2*e_1_1_1 &
16834 -2*e_0_0_1)
16835 e_0_1_2 = zetb*( &
16836 +c3*e_0_1_1&
16837 +2*e_1_1_1 &
16838 -2*e_0_1_0)
16839 e_1_2_1 = zeta*( c1*e_0_1_1 &
16840 +c2*e_1_1_1&
16841 +4*e_2_1_1 &
16842 -2*e_1_0_1)
16843 e_1_1_2 = zetb*( c1*e_0_1_1 &
16844 +c3*e_1_1_1&
16845 +4*e_2_1_1 &
16846 -2*e_1_1_0)
16847 e_2_2_1 = zeta*( c1*e_1_1_1 &
16848 +c2*e_2_1_1&
16849
16850 )
16851 e_2_1_2 = zetb*( c1*e_1_1_1 &
16852 +c3*e_2_1_1&
16853
16854 )
16855 e_3_2_1 = zeta*( c1*e_2_1_1 &
16856
16857
16858 )
16859 e_3_1_2 = zetb*( c1*e_2_1_1 &
16860
16861
16862 )
16863 e_0_2_2 = zetb*( &
16864 +c3*e_0_2_1&
16865 +2*e_1_2_1 &
16866 -2*e_0_2_0)
16867 e_1_2_2 = zetb*( c1*e_0_2_1 &
16868 +c3*e_1_2_1&
16869 +4*e_2_2_1 &
16870 -2*e_1_2_0)
16871 e_2_2_2 = zetb*( c1*e_1_2_1 &
16872 +c3*e_2_2_1&
16873 +6*e_3_2_1 &
16874 -2*e_2_2_0)
16875 e_3_2_2 = zetb*( c1*e_2_2_1 &
16876 +c3*e_3_2_1&
16877
16878 )
16879 e_4_2_2 = zetb*( c1*e_3_2_1 &
16880
16881
16882 )
16883 e_0_1_2 = zeta*( &
16884 +c2*e_0_0_2&
16885 +2*e_1_0_2 &
16886 )
16887 e_1_1_2 = zeta*( c1*e_0_0_2 &
16888 +c2*e_1_0_2&
16889 +4*e_2_0_2 &
16890 )
16891 e_2_1_2 = zeta*( c1*e_1_0_2 &
16892 +c2*e_2_0_2&
16893
16894 )
16895 e_3_1_2 = zeta*( c1*e_2_0_2 &
16896
16897
16898 )
16899 e_0_2_2 = zeta*( &
16900 +c2*e_0_1_2&
16901 +2*e_1_1_2 &
16902 -2*e_0_0_2)
16903 e_1_2_2 = zeta*( c1*e_0_1_2 &
16904 +c2*e_1_1_2&
16905 +4*e_2_1_2 &
16906 -2*e_1_0_2)
16907 e_2_2_2 = zeta*( c1*e_1_1_2 &
16908 +c2*e_2_1_2&
16909 +6*e_3_1_2 &
16910 -2*e_2_0_2)
16911 e_3_2_2 = zeta*( c1*e_2_1_2 &
16912 +c2*e_3_1_2&
16913
16914 )
16915 e_4_2_2 = zeta*( c1*e_3_1_2 &
16916
16917
16918 )
16919
16920 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16921 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16922 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16923 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16924 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16925 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16926 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16927 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16928 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16929 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16930 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16931 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16932 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16933 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16934 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16935 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16936 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16937 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16938 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16939 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16940 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16941 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16942 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16943 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16944 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16945 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16946 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16947 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
16948 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
16949 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
16950 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
16951 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
16952 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
16953 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
16954 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
16955 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
16956 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
16957 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
16958 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
16959 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
16960 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
16961 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
16962 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
16963 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
16964 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
16965 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
16966 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
16967 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
16968 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
16969 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
16970 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
16971 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
16972 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
16973 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
16974 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
16975 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
16976 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
16977 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16978 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
16979 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
16980 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
16981 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
16982 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16983 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
16984 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
16985 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16986 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16987 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
16988 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
16989 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16990 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
16991 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
16992 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16993 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16994 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
16995 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
16996 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16997 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16998 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16999 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17000 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17001 r1 = r1 + dr
17002 END DO
17003
17004 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17005 END SUBROUTINE
17006 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_3_exp_0 ( &
17007 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17008 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17009 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17010 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17011 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17012 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17013 r_pow_t, r_tmp, rr1_delta, rr2_delta
17014
17015 REAL(kind=dp) :: c1, c2, c3
17016 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
17017 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
17018 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17019 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17020 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
17021 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
17022 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17023 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17024 & e_3_2_2, e_4_2_2
17025
17026
17027 dr = lgth
17028 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17029
17030 s_r(:, :, :) = 0.0_dp
17031
17032 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17033
17034 h_to_c_0_0 = sqrt(alpha/pi)
17035
17036 h_to_c_0_1 = 0.0_dp
17037 h_to_c_1_1 = +2*alpha*h_to_c_0_0
17038 h_to_c_0_2 = -1*h_to_c_1_1
17039 h_to_c_1_2 = +2*alpha*h_to_c_0_1
17040 h_to_c_2_2 = +2*alpha*h_to_c_1_1
17041 h_to_c_0_3 = -1*h_to_c_1_2
17042 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17043 h_to_c_2_3 = +2*alpha*h_to_c_1_2
17044 h_to_c_3_3 = +2*alpha*h_to_c_2_2
17045 h_to_c_0_4 = -1*h_to_c_1_3
17046 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17047 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
17048 h_to_c_3_4 = +2*alpha*h_to_c_2_3
17049 h_to_c_4_4 = +2*alpha*h_to_c_3_3
17050 h_to_c_0_5 = -1*h_to_c_1_4
17051 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
17052 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
17053 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
17054 h_to_c_4_5 = +2*alpha*h_to_c_3_4
17055 h_to_c_5_5 = +2*alpha*h_to_c_4_4
17056 h_to_c_0_6 = -1*h_to_c_1_5
17057 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
17058 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
17059 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
17060 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
17061 h_to_c_5_6 = +2*alpha*h_to_c_4_5
17062 h_to_c_6_6 = +2*alpha*h_to_c_5_5
17063 h_to_c_0_7 = -1*h_to_c_1_6
17064 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
17065 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
17066 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
17067 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
17068 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
17069 h_to_c_6_7 = +2*alpha*h_to_c_5_6
17070 h_to_c_7_7 = +2*alpha*h_to_c_6_6
17071
17072
17073 rr1_delta = (ra - rb)/dr
17074
17075 rr1_l = ceiling(-r_c(1) + rr1_delta)
17076 rr1_r = floor(r_c(1) + rr1_delta)
17077
17078 r1 = rr1_l*dr
17079
17080 alpha_e = zeta*zetb/(zeta + zetb)
17081
17082 DO rr1 = rr1_l, rr1_r
17083 s_r_t_0 = 0.0_dp
17084 s_r_t2_0 = 0.0_dp
17085 s_r_t_1 = 0.0_dp
17086 s_r_t2_1 = 0.0_dp
17087 s_r_t_2 = 0.0_dp
17088 s_r_t2_2 = 0.0_dp
17089 s_r_t_3 = 0.0_dp
17090 s_r_t2_3 = 0.0_dp
17091 s_r_t_4 = 0.0_dp
17092 s_r_t2_4 = 0.0_dp
17093 s_r_t_5 = 0.0_dp
17094 s_r_t2_5 = 0.0_dp
17095 s_r_t_6 = 0.0_dp
17096 s_r_t2_6 = 0.0_dp
17097 s_r_t_7 = 0.0_dp
17098 s_r_t2_7 = 0.0_dp
17099 r_tmp = r_offset + r1*zeta/(zeta + zetb)
17100 rr2_delta = -r_tmp/dr
17101
17102 rr2_l = ceiling(-r_c(2) + rr2_delta)
17103 rr2_r = floor(r_c(2) + rr2_delta)
17104
17105 r = r_tmp + (rr2_l)*dr
17106
17107
17108 DO rr2 = rr2_l, rr2_r
17109 r_pow_t = 1.0_dp
17110 exp2_rsq = exp(-alpha*r*r)
17111 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
17112 r_pow_t = r_pow_t*r
17113 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
17114 r_pow_t = r_pow_t*r
17115 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
17116 r_pow_t = r_pow_t*r
17117 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
17118 r_pow_t = r_pow_t*r
17119 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
17120 r_pow_t = r_pow_t*r
17121 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
17122 r_pow_t = r_pow_t*r
17123 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
17124 r_pow_t = r_pow_t*r
17125 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
17126
17127 r = r + dr
17128 END DO
17129
17130 ! C --> H
17131 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
17132 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
17133 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
17134 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
17135 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
17136 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
17137 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
17138 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
17139 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
17140 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
17141 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
17142 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
17143 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
17144 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
17145 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
17146 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
17147 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
17148 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
17149 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
17150 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
17151 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
17152 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
17153 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
17154 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
17155 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
17156 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
17157 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
17158 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
17159 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
17160 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
17161 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
17162 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
17163 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
17164 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
17165 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
17166 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
17167
17168 ! H --> HH
17169 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
17170
17171 c1 = 1.0_dp/(zeta + zetb)
17172 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
17173 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
17174
17175 e_0_1_0 = zeta*( &
17176 +c2*e_0_0_0&
17177
17178 )
17179 e_0_0_1 = zetb*( &
17180 +c3*e_0_0_0&
17181
17182 )
17183 e_1_1_0 = zeta*( c1*e_0_0_0 &
17184
17185
17186 )
17187 e_1_0_1 = zetb*( c1*e_0_0_0 &
17188
17189
17190 )
17191 e_0_2_0 = zeta*( &
17192 +c2*e_0_1_0&
17193 +2*e_1_1_0 &
17194 -2*e_0_0_0)
17195 e_0_1_1 = zetb*( &
17196 +c3*e_0_1_0&
17197 +2*e_1_1_0 &
17198 )
17199 e_1_2_0 = zeta*( c1*e_0_1_0 &
17200 +c2*e_1_1_0&
17201
17202 )
17203 e_1_1_1 = zetb*( c1*e_0_1_0 &
17204 +c3*e_1_1_0&
17205
17206 )
17207 e_2_2_0 = zeta*( c1*e_1_1_0 &
17208
17209
17210 )
17211 e_2_1_1 = zetb*( c1*e_1_1_0 &
17212
17213
17214 )
17215 e_0_2_1 = zetb*( &
17216 +c3*e_0_2_0&
17217 +2*e_1_2_0 &
17218 )
17219 e_1_2_1 = zetb*( c1*e_0_2_0 &
17220 +c3*e_1_2_0&
17221 +4*e_2_2_0 &
17222 )
17223 e_2_2_1 = zetb*( c1*e_1_2_0 &
17224 +c3*e_2_2_0&
17225
17226 )
17227 e_3_2_1 = zetb*( c1*e_2_2_0 &
17228
17229
17230 )
17231 e_0_1_1 = zeta*( &
17232 +c2*e_0_0_1&
17233 +2*e_1_0_1 &
17234 )
17235 e_0_0_2 = zetb*( &
17236 +c3*e_0_0_1&
17237 +2*e_1_0_1 &
17238 -2*e_0_0_0)
17239 e_1_1_1 = zeta*( c1*e_0_0_1 &
17240 +c2*e_1_0_1&
17241
17242 )
17243 e_1_0_2 = zetb*( c1*e_0_0_1 &
17244 +c3*e_1_0_1&
17245
17246 )
17247 e_2_1_1 = zeta*( c1*e_1_0_1 &
17248
17249
17250 )
17251 e_2_0_2 = zetb*( c1*e_1_0_1 &
17252
17253
17254 )
17255 e_0_2_1 = zeta*( &
17256 +c2*e_0_1_1&
17257 +2*e_1_1_1 &
17258 -2*e_0_0_1)
17259 e_0_1_2 = zetb*( &
17260 +c3*e_0_1_1&
17261 +2*e_1_1_1 &
17262 -2*e_0_1_0)
17263 e_1_2_1 = zeta*( c1*e_0_1_1 &
17264 +c2*e_1_1_1&
17265 +4*e_2_1_1 &
17266 -2*e_1_0_1)
17267 e_1_1_2 = zetb*( c1*e_0_1_1 &
17268 +c3*e_1_1_1&
17269 +4*e_2_1_1 &
17270 -2*e_1_1_0)
17271 e_2_2_1 = zeta*( c1*e_1_1_1 &
17272 +c2*e_2_1_1&
17273
17274 )
17275 e_2_1_2 = zetb*( c1*e_1_1_1 &
17276 +c3*e_2_1_1&
17277
17278 )
17279 e_3_2_1 = zeta*( c1*e_2_1_1 &
17280
17281
17282 )
17283 e_3_1_2 = zetb*( c1*e_2_1_1 &
17284
17285
17286 )
17287 e_0_2_2 = zetb*( &
17288 +c3*e_0_2_1&
17289 +2*e_1_2_1 &
17290 -2*e_0_2_0)
17291 e_1_2_2 = zetb*( c1*e_0_2_1 &
17292 +c3*e_1_2_1&
17293 +4*e_2_2_1 &
17294 -2*e_1_2_0)
17295 e_2_2_2 = zetb*( c1*e_1_2_1 &
17296 +c3*e_2_2_1&
17297 +6*e_3_2_1 &
17298 -2*e_2_2_0)
17299 e_3_2_2 = zetb*( c1*e_2_2_1 &
17300 +c3*e_3_2_1&
17301
17302 )
17303 e_4_2_2 = zetb*( c1*e_3_2_1 &
17304
17305
17306 )
17307 e_0_1_2 = zeta*( &
17308 +c2*e_0_0_2&
17309 +2*e_1_0_2 &
17310 )
17311 e_1_1_2 = zeta*( c1*e_0_0_2 &
17312 +c2*e_1_0_2&
17313 +4*e_2_0_2 &
17314 )
17315 e_2_1_2 = zeta*( c1*e_1_0_2 &
17316 +c2*e_2_0_2&
17317
17318 )
17319 e_3_1_2 = zeta*( c1*e_2_0_2 &
17320
17321
17322 )
17323 e_0_2_2 = zeta*( &
17324 +c2*e_0_1_2&
17325 +2*e_1_1_2 &
17326 -2*e_0_0_2)
17327 e_1_2_2 = zeta*( c1*e_0_1_2 &
17328 +c2*e_1_1_2&
17329 +4*e_2_1_2 &
17330 -2*e_1_0_2)
17331 e_2_2_2 = zeta*( c1*e_1_1_2 &
17332 +c2*e_2_1_2&
17333 +6*e_3_1_2 &
17334 -2*e_2_0_2)
17335 e_3_2_2 = zeta*( c1*e_2_1_2 &
17336 +c2*e_3_1_2&
17337
17338 )
17339 e_4_2_2 = zeta*( c1*e_3_1_2 &
17340
17341
17342 )
17343
17344 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
17345 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
17346 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
17347 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
17348 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
17349 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17350 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
17351 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
17352 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
17353 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
17354 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17355 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
17356 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
17357 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17358 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17359 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
17360 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
17361 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17362 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
17363 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
17364 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17365 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17366 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
17367 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
17368 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17369 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17370 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17371 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
17372 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
17373 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
17374 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
17375 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
17376 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17377 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
17378 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
17379 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
17380 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
17381 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17382 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
17383 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
17384 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17385 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17386 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
17387 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
17388 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17389 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
17390 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
17391 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17392 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17393 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
17394 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
17395 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17396 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17397 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17398 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
17399 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
17400 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
17401 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17402 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
17403 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17404 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
17405 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
17406 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17407 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
17408 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17409 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17410 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17411 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17412 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17413 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17414 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
17415 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17416 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17417 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17418 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17419 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17420 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17421 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17422 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17423 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17424 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17425 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
17426 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
17427 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
17428 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17429 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
17430 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
17431 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
17432 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
17433 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17434 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
17435 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
17436 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17437 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17438 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
17439 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
17440 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17441 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
17442 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
17443 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17444 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17445 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
17446 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
17447 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17448 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17449 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17450 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
17451 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
17452 r1 = r1 + dr
17453 END DO
17454
17455 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17456 END SUBROUTINE
17457 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_4_exp_0 ( &
17458 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17459 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17460 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17461 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17462 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17463 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17464 r_pow_t, r_tmp, rr1_delta, rr2_delta
17465
17466 REAL(kind=dp) :: c1, c2, c3
17467 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
17468 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
17469 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17470 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17471 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
17472 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
17473 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
17474 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17475 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17476 & e_3_2_2, e_4_2_2
17477
17478
17479 dr = lgth
17480 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17481
17482 s_r(:, :, :) = 0.0_dp
17483
17484 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17485
17486 h_to_c_0_0 = sqrt(alpha/pi)
17487
17488 h_to_c_0_1 = 0.0_dp
17489 h_to_c_1_1 = +2*alpha*h_to_c_0_0
17490 h_to_c_0_2 = -1*h_to_c_1_1
17491 h_to_c_1_2 = +2*alpha*h_to_c_0_1
17492 h_to_c_2_2 = +2*alpha*h_to_c_1_1
17493 h_to_c_0_3 = -1*h_to_c_1_2
17494 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17495 h_to_c_2_3 = +2*alpha*h_to_c_1_2
17496 h_to_c_3_3 = +2*alpha*h_to_c_2_2
17497 h_to_c_0_4 = -1*h_to_c_1_3
17498 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17499 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
17500 h_to_c_3_4 = +2*alpha*h_to_c_2_3
17501 h_to_c_4_4 = +2*alpha*h_to_c_3_3
17502 h_to_c_0_5 = -1*h_to_c_1_4
17503 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
17504 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
17505 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
17506 h_to_c_4_5 = +2*alpha*h_to_c_3_4
17507 h_to_c_5_5 = +2*alpha*h_to_c_4_4
17508 h_to_c_0_6 = -1*h_to_c_1_5
17509 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
17510 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
17511 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
17512 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
17513 h_to_c_5_6 = +2*alpha*h_to_c_4_5
17514 h_to_c_6_6 = +2*alpha*h_to_c_5_5
17515 h_to_c_0_7 = -1*h_to_c_1_6
17516 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
17517 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
17518 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
17519 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
17520 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
17521 h_to_c_6_7 = +2*alpha*h_to_c_5_6
17522 h_to_c_7_7 = +2*alpha*h_to_c_6_6
17523 h_to_c_0_8 = -1*h_to_c_1_7
17524 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
17525 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
17526 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
17527 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
17528 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
17529 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
17530 h_to_c_7_8 = +2*alpha*h_to_c_6_7
17531 h_to_c_8_8 = +2*alpha*h_to_c_7_7
17532
17533
17534 rr1_delta = (ra - rb)/dr
17535
17536 rr1_l = ceiling(-r_c(1) + rr1_delta)
17537 rr1_r = floor(r_c(1) + rr1_delta)
17538
17539 r1 = rr1_l*dr
17540
17541 alpha_e = zeta*zetb/(zeta + zetb)
17542
17543 DO rr1 = rr1_l, rr1_r
17544 s_r_t_0 = 0.0_dp
17545 s_r_t2_0 = 0.0_dp
17546 s_r_t_1 = 0.0_dp
17547 s_r_t2_1 = 0.0_dp
17548 s_r_t_2 = 0.0_dp
17549 s_r_t2_2 = 0.0_dp
17550 s_r_t_3 = 0.0_dp
17551 s_r_t2_3 = 0.0_dp
17552 s_r_t_4 = 0.0_dp
17553 s_r_t2_4 = 0.0_dp
17554 s_r_t_5 = 0.0_dp
17555 s_r_t2_5 = 0.0_dp
17556 s_r_t_6 = 0.0_dp
17557 s_r_t2_6 = 0.0_dp
17558 s_r_t_7 = 0.0_dp
17559 s_r_t2_7 = 0.0_dp
17560 s_r_t_8 = 0.0_dp
17561 s_r_t2_8 = 0.0_dp
17562 r_tmp = r_offset + r1*zeta/(zeta + zetb)
17563 rr2_delta = -r_tmp/dr
17564
17565 rr2_l = ceiling(-r_c(2) + rr2_delta)
17566 rr2_r = floor(r_c(2) + rr2_delta)
17567
17568 r = r_tmp + (rr2_l)*dr
17569
17570
17571 DO rr2 = rr2_l, rr2_r
17572 r_pow_t = 1.0_dp
17573 exp2_rsq = exp(-alpha*r*r)
17574 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
17575 r_pow_t = r_pow_t*r
17576 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
17577 r_pow_t = r_pow_t*r
17578 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
17579 r_pow_t = r_pow_t*r
17580 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
17581 r_pow_t = r_pow_t*r
17582 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
17583 r_pow_t = r_pow_t*r
17584 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
17585 r_pow_t = r_pow_t*r
17586 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
17587 r_pow_t = r_pow_t*r
17588 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
17589 r_pow_t = r_pow_t*r
17590 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
17591
17592 r = r + dr
17593 END DO
17594
17595 ! C --> H
17596 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
17597 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
17598 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
17599 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
17600 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
17601 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
17602 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
17603 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
17604 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
17605 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
17606 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
17607 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
17608 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
17609 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
17610 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
17611 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
17612 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
17613 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
17614 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
17615 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
17616 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
17617 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
17618 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
17619 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
17620 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
17621 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
17622 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
17623 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
17624 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
17625 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
17626 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
17627 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
17628 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
17629 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
17630 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
17631 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
17632 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
17633 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
17634 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
17635 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
17636 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
17637 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
17638 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
17639 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
17640 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
17641
17642 ! H --> HH
17643 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
17644
17645 c1 = 1.0_dp/(zeta + zetb)
17646 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
17647 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
17648
17649 e_0_1_0 = zeta*( &
17650 +c2*e_0_0_0&
17651
17652 )
17653 e_0_0_1 = zetb*( &
17654 +c3*e_0_0_0&
17655
17656 )
17657 e_1_1_0 = zeta*( c1*e_0_0_0 &
17658
17659
17660 )
17661 e_1_0_1 = zetb*( c1*e_0_0_0 &
17662
17663
17664 )
17665 e_0_2_0 = zeta*( &
17666 +c2*e_0_1_0&
17667 +2*e_1_1_0 &
17668 -2*e_0_0_0)
17669 e_0_1_1 = zetb*( &
17670 +c3*e_0_1_0&
17671 +2*e_1_1_0 &
17672 )
17673 e_1_2_0 = zeta*( c1*e_0_1_0 &
17674 +c2*e_1_1_0&
17675
17676 )
17677 e_1_1_1 = zetb*( c1*e_0_1_0 &
17678 +c3*e_1_1_0&
17679
17680 )
17681 e_2_2_0 = zeta*( c1*e_1_1_0 &
17682
17683
17684 )
17685 e_2_1_1 = zetb*( c1*e_1_1_0 &
17686
17687
17688 )
17689 e_0_2_1 = zetb*( &
17690 +c3*e_0_2_0&
17691 +2*e_1_2_0 &
17692 )
17693 e_1_2_1 = zetb*( c1*e_0_2_0 &
17694 +c3*e_1_2_0&
17695 +4*e_2_2_0 &
17696 )
17697 e_2_2_1 = zetb*( c1*e_1_2_0 &
17698 +c3*e_2_2_0&
17699
17700 )
17701 e_3_2_1 = zetb*( c1*e_2_2_0 &
17702
17703
17704 )
17705 e_0_1_1 = zeta*( &
17706 +c2*e_0_0_1&
17707 +2*e_1_0_1 &
17708 )
17709 e_0_0_2 = zetb*( &
17710 +c3*e_0_0_1&
17711 +2*e_1_0_1 &
17712 -2*e_0_0_0)
17713 e_1_1_1 = zeta*( c1*e_0_0_1 &
17714 +c2*e_1_0_1&
17715
17716 )
17717 e_1_0_2 = zetb*( c1*e_0_0_1 &
17718 +c3*e_1_0_1&
17719
17720 )
17721 e_2_1_1 = zeta*( c1*e_1_0_1 &
17722
17723
17724 )
17725 e_2_0_2 = zetb*( c1*e_1_0_1 &
17726
17727
17728 )
17729 e_0_2_1 = zeta*( &
17730 +c2*e_0_1_1&
17731 +2*e_1_1_1 &
17732 -2*e_0_0_1)
17733 e_0_1_2 = zetb*( &
17734 +c3*e_0_1_1&
17735 +2*e_1_1_1 &
17736 -2*e_0_1_0)
17737 e_1_2_1 = zeta*( c1*e_0_1_1 &
17738 +c2*e_1_1_1&
17739 +4*e_2_1_1 &
17740 -2*e_1_0_1)
17741 e_1_1_2 = zetb*( c1*e_0_1_1 &
17742 +c3*e_1_1_1&
17743 +4*e_2_1_1 &
17744 -2*e_1_1_0)
17745 e_2_2_1 = zeta*( c1*e_1_1_1 &
17746 +c2*e_2_1_1&
17747
17748 )
17749 e_2_1_2 = zetb*( c1*e_1_1_1 &
17750 +c3*e_2_1_1&
17751
17752 )
17753 e_3_2_1 = zeta*( c1*e_2_1_1 &
17754
17755
17756 )
17757 e_3_1_2 = zetb*( c1*e_2_1_1 &
17758
17759
17760 )
17761 e_0_2_2 = zetb*( &
17762 +c3*e_0_2_1&
17763 +2*e_1_2_1 &
17764 -2*e_0_2_0)
17765 e_1_2_2 = zetb*( c1*e_0_2_1 &
17766 +c3*e_1_2_1&
17767 +4*e_2_2_1 &
17768 -2*e_1_2_0)
17769 e_2_2_2 = zetb*( c1*e_1_2_1 &
17770 +c3*e_2_2_1&
17771 +6*e_3_2_1 &
17772 -2*e_2_2_0)
17773 e_3_2_2 = zetb*( c1*e_2_2_1 &
17774 +c3*e_3_2_1&
17775
17776 )
17777 e_4_2_2 = zetb*( c1*e_3_2_1 &
17778
17779
17780 )
17781 e_0_1_2 = zeta*( &
17782 +c2*e_0_0_2&
17783 +2*e_1_0_2 &
17784 )
17785 e_1_1_2 = zeta*( c1*e_0_0_2 &
17786 +c2*e_1_0_2&
17787 +4*e_2_0_2 &
17788 )
17789 e_2_1_2 = zeta*( c1*e_1_0_2 &
17790 +c2*e_2_0_2&
17791
17792 )
17793 e_3_1_2 = zeta*( c1*e_2_0_2 &
17794
17795
17796 )
17797 e_0_2_2 = zeta*( &
17798 +c2*e_0_1_2&
17799 +2*e_1_1_2 &
17800 -2*e_0_0_2)
17801 e_1_2_2 = zeta*( c1*e_0_1_2 &
17802 +c2*e_1_1_2&
17803 +4*e_2_1_2 &
17804 -2*e_1_0_2)
17805 e_2_2_2 = zeta*( c1*e_1_1_2 &
17806 +c2*e_2_1_2&
17807 +6*e_3_1_2 &
17808 -2*e_2_0_2)
17809 e_3_2_2 = zeta*( c1*e_2_1_2 &
17810 +c2*e_3_1_2&
17811
17812 )
17813 e_4_2_2 = zeta*( c1*e_3_1_2 &
17814
17815
17816 )
17817
17818 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
17819 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
17820 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
17821 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
17822 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
17823 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17824 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
17825 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
17826 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
17827 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
17828 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17829 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
17830 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
17831 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17832 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17833 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
17834 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
17835 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17836 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
17837 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
17838 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17839 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17840 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
17841 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
17842 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17843 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17844 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17845 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
17846 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
17847 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
17848 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
17849 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
17850 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17851 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
17852 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
17853 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
17854 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
17855 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17856 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
17857 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
17858 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17859 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17860 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
17861 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
17862 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17863 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
17864 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
17865 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17866 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17867 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
17868 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
17869 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17870 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17871 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17872 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
17873 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
17874 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
17875 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17876 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
17877 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17878 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
17879 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
17880 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17881 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
17882 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17883 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17884 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17885 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17886 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17887 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17888 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
17889 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17890 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17891 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17892 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17893 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17894 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17895 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17896 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17897 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17898 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17899 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
17900 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
17901 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
17902 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17903 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
17904 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
17905 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
17906 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
17907 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17908 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
17909 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
17910 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17911 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17912 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
17913 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
17914 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17915 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
17916 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
17917 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17918 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17919 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
17920 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
17921 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17922 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17923 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17924 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
17925 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
17926 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
17927 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
17928 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
17929 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17930 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
17931 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
17932 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
17933 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
17934 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17935 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
17936 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
17937 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17938 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17939 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
17940 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
17941 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17942 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
17943 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
17944 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17945 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17946 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
17947 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
17948 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17949 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17950 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17951 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
17952 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
17953 r1 = r1 + dr
17954 END DO
17955
17956 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17957 END SUBROUTINE
17958 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_0_exp_0 ( &
17959 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17960 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17961 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17962 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17963 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17964 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17965 r_pow_t, r_tmp, rr1_delta, rr2_delta
17966
17967 REAL(kind=dp) :: c1, c2, c3
17968 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
17969 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
17970 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17971 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17972 & h_to_c_4_5, h_to_c_5_5
17973 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17974 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17975 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
17976 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
17977
17978
17979 dr = lgth
17980 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17981
17982 s_r(:, :, :) = 0.0_dp
17983
17984 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17985
17986 h_to_c_0_0 = sqrt(alpha/pi)
17987
17988 h_to_c_0_1 = 0.0_dp
17989 h_to_c_1_1 = +2*alpha*h_to_c_0_0
17990 h_to_c_0_2 = -1*h_to_c_1_1
17991 h_to_c_1_2 = +2*alpha*h_to_c_0_1
17992 h_to_c_2_2 = +2*alpha*h_to_c_1_1
17993 h_to_c_0_3 = -1*h_to_c_1_2
17994 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17995 h_to_c_2_3 = +2*alpha*h_to_c_1_2
17996 h_to_c_3_3 = +2*alpha*h_to_c_2_2
17997 h_to_c_0_4 = -1*h_to_c_1_3
17998 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17999 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18000 h_to_c_3_4 = +2*alpha*h_to_c_2_3
18001 h_to_c_4_4 = +2*alpha*h_to_c_3_3
18002 h_to_c_0_5 = -1*h_to_c_1_4
18003 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18004 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18005 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18006 h_to_c_4_5 = +2*alpha*h_to_c_3_4
18007 h_to_c_5_5 = +2*alpha*h_to_c_4_4
18008
18009
18010 rr1_delta = (ra - rb)/dr
18011
18012 rr1_l = ceiling(-r_c(1) + rr1_delta)
18013 rr1_r = floor(r_c(1) + rr1_delta)
18014
18015 r1 = rr1_l*dr
18016
18017 alpha_e = zeta*zetb/(zeta + zetb)
18018
18019 DO rr1 = rr1_l, rr1_r
18020 s_r_t_0 = 0.0_dp
18021 s_r_t2_0 = 0.0_dp
18022 s_r_t_1 = 0.0_dp
18023 s_r_t2_1 = 0.0_dp
18024 s_r_t_2 = 0.0_dp
18025 s_r_t2_2 = 0.0_dp
18026 s_r_t_3 = 0.0_dp
18027 s_r_t2_3 = 0.0_dp
18028 s_r_t_4 = 0.0_dp
18029 s_r_t2_4 = 0.0_dp
18030 s_r_t_5 = 0.0_dp
18031 s_r_t2_5 = 0.0_dp
18032 r_tmp = r_offset + r1*zeta/(zeta + zetb)
18033 rr2_delta = -r_tmp/dr
18034
18035 rr2_l = ceiling(-r_c(2) + rr2_delta)
18036 rr2_r = floor(r_c(2) + rr2_delta)
18037
18038 r = r_tmp + (rr2_l)*dr
18039
18040
18041 DO rr2 = rr2_l, rr2_r
18042 r_pow_t = 1.0_dp
18043 exp2_rsq = exp(-alpha*r*r)
18044 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
18045 r_pow_t = r_pow_t*r
18046 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
18047 r_pow_t = r_pow_t*r
18048 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
18049 r_pow_t = r_pow_t*r
18050 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
18051 r_pow_t = r_pow_t*r
18052 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
18053 r_pow_t = r_pow_t*r
18054 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
18055
18056 r = r + dr
18057 END DO
18058
18059 ! C --> H
18060 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
18061 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
18062 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
18063 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
18064 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
18065 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
18066 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
18067 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
18068 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
18069 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
18070 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
18071 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
18072 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
18073 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
18074 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
18075 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
18076 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
18077 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
18078 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
18079 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
18080 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
18081
18082 ! H --> HH
18083 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
18084
18085 c1 = 1.0_dp/(zeta + zetb)
18086 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
18087 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
18088
18089 e_0_1_0 = zeta*( &
18090 +c2*e_0_0_0&
18091
18092 )
18093 e_0_0_1 = zetb*( &
18094 +c3*e_0_0_0&
18095
18096 )
18097 e_1_1_0 = zeta*( c1*e_0_0_0 &
18098
18099
18100 )
18101 e_1_0_1 = zetb*( c1*e_0_0_0 &
18102
18103
18104 )
18105 e_0_2_0 = zeta*( &
18106 +c2*e_0_1_0&
18107 +2*e_1_1_0 &
18108 -2*e_0_0_0)
18109 e_0_1_1 = zetb*( &
18110 +c3*e_0_1_0&
18111 +2*e_1_1_0 &
18112 )
18113 e_1_2_0 = zeta*( c1*e_0_1_0 &
18114 +c2*e_1_1_0&
18115
18116 )
18117 e_1_1_1 = zetb*( c1*e_0_1_0 &
18118 +c3*e_1_1_0&
18119
18120 )
18121 e_2_2_0 = zeta*( c1*e_1_1_0 &
18122
18123
18124 )
18125 e_2_1_1 = zetb*( c1*e_1_1_0 &
18126
18127
18128 )
18129 e_0_2_1 = zetb*( &
18130 +c3*e_0_2_0&
18131 +2*e_1_2_0 &
18132 )
18133 e_1_2_1 = zetb*( c1*e_0_2_0 &
18134 +c3*e_1_2_0&
18135 +4*e_2_2_0 &
18136 )
18137 e_2_2_1 = zetb*( c1*e_1_2_0 &
18138 +c3*e_2_2_0&
18139
18140 )
18141 e_3_2_1 = zetb*( c1*e_2_2_0 &
18142
18143
18144 )
18145 e_0_1_1 = zeta*( &
18146 +c2*e_0_0_1&
18147 +2*e_1_0_1 &
18148 )
18149 e_0_0_2 = zetb*( &
18150 +c3*e_0_0_1&
18151 +2*e_1_0_1 &
18152 -2*e_0_0_0)
18153 e_1_1_1 = zeta*( c1*e_0_0_1 &
18154 +c2*e_1_0_1&
18155
18156 )
18157 e_1_0_2 = zetb*( c1*e_0_0_1 &
18158 +c3*e_1_0_1&
18159
18160 )
18161 e_2_1_1 = zeta*( c1*e_1_0_1 &
18162
18163
18164 )
18165 e_2_0_2 = zetb*( c1*e_1_0_1 &
18166
18167
18168 )
18169 e_0_2_1 = zeta*( &
18170 +c2*e_0_1_1&
18171 +2*e_1_1_1 &
18172 -2*e_0_0_1)
18173 e_0_1_2 = zetb*( &
18174 +c3*e_0_1_1&
18175 +2*e_1_1_1 &
18176 -2*e_0_1_0)
18177 e_1_2_1 = zeta*( c1*e_0_1_1 &
18178 +c2*e_1_1_1&
18179 +4*e_2_1_1 &
18180 -2*e_1_0_1)
18181 e_1_1_2 = zetb*( c1*e_0_1_1 &
18182 +c3*e_1_1_1&
18183 +4*e_2_1_1 &
18184 -2*e_1_1_0)
18185 e_2_2_1 = zeta*( c1*e_1_1_1 &
18186 +c2*e_2_1_1&
18187
18188 )
18189 e_2_1_2 = zetb*( c1*e_1_1_1 &
18190 +c3*e_2_1_1&
18191
18192 )
18193 e_3_2_1 = zeta*( c1*e_2_1_1 &
18194
18195
18196 )
18197 e_3_1_2 = zetb*( c1*e_2_1_1 &
18198
18199
18200 )
18201 e_0_2_2 = zetb*( &
18202 +c3*e_0_2_1&
18203 +2*e_1_2_1 &
18204 -2*e_0_2_0)
18205 e_1_2_2 = zetb*( c1*e_0_2_1 &
18206 +c3*e_1_2_1&
18207 +4*e_2_2_1 &
18208 -2*e_1_2_0)
18209 e_2_2_2 = zetb*( c1*e_1_2_1 &
18210 +c3*e_2_2_1&
18211 +6*e_3_2_1 &
18212 -2*e_2_2_0)
18213 e_3_2_2 = zetb*( c1*e_2_2_1 &
18214 +c3*e_3_2_1&
18215
18216 )
18217 e_4_2_2 = zetb*( c1*e_3_2_1 &
18218
18219
18220 )
18221 e_0_1_2 = zeta*( &
18222 +c2*e_0_0_2&
18223 +2*e_1_0_2 &
18224 )
18225 e_0_0_3 = zetb*( &
18226 +c3*e_0_0_2&
18227 +2*e_1_0_2 &
18228 -4*e_0_0_1)
18229 e_1_1_2 = zeta*( c1*e_0_0_2 &
18230 +c2*e_1_0_2&
18231 +4*e_2_0_2 &
18232 )
18233 e_1_0_3 = zetb*( c1*e_0_0_2 &
18234 +c3*e_1_0_2&
18235 +4*e_2_0_2 &
18236 -4*e_1_0_1)
18237 e_2_1_2 = zeta*( c1*e_1_0_2 &
18238 +c2*e_2_0_2&
18239
18240 )
18241 e_2_0_3 = zetb*( c1*e_1_0_2 &
18242 +c3*e_2_0_2&
18243
18244 )
18245 e_3_1_2 = zeta*( c1*e_2_0_2 &
18246
18247
18248 )
18249 e_3_0_3 = zetb*( c1*e_2_0_2 &
18250
18251
18252 )
18253 e_0_2_2 = zeta*( &
18254 +c2*e_0_1_2&
18255 +2*e_1_1_2 &
18256 -2*e_0_0_2)
18257 e_0_1_3 = zetb*( &
18258 +c3*e_0_1_2&
18259 +2*e_1_1_2 &
18260 -4*e_0_1_1)
18261 e_1_2_2 = zeta*( c1*e_0_1_2 &
18262 +c2*e_1_1_2&
18263 +4*e_2_1_2 &
18264 -2*e_1_0_2)
18265 e_1_1_3 = zetb*( c1*e_0_1_2 &
18266 +c3*e_1_1_2&
18267 +4*e_2_1_2 &
18268 -4*e_1_1_1)
18269 e_2_2_2 = zeta*( c1*e_1_1_2 &
18270 +c2*e_2_1_2&
18271 +6*e_3_1_2 &
18272 -2*e_2_0_2)
18273 e_2_1_3 = zetb*( c1*e_1_1_2 &
18274 +c3*e_2_1_2&
18275 +6*e_3_1_2 &
18276 -4*e_2_1_1)
18277 e_3_2_2 = zeta*( c1*e_2_1_2 &
18278 +c2*e_3_1_2&
18279
18280 )
18281 e_3_1_3 = zetb*( c1*e_2_1_2 &
18282 +c3*e_3_1_2&
18283
18284 )
18285 e_4_2_2 = zeta*( c1*e_3_1_2 &
18286
18287
18288 )
18289 e_4_1_3 = zetb*( c1*e_3_1_2 &
18290
18291
18292 )
18293 e_0_2_3 = zetb*( &
18294 +c3*e_0_2_2&
18295 +2*e_1_2_2 &
18296 -4*e_0_2_1)
18297 e_1_2_3 = zetb*( c1*e_0_2_2 &
18298 +c3*e_1_2_2&
18299 +4*e_2_2_2 &
18300 -4*e_1_2_1)
18301 e_2_2_3 = zetb*( c1*e_1_2_2 &
18302 +c3*e_2_2_2&
18303 +6*e_3_2_2 &
18304 -4*e_2_2_1)
18305 e_3_2_3 = zetb*( c1*e_2_2_2 &
18306 +c3*e_3_2_2&
18307 +8*e_4_2_2 &
18308 -4*e_3_2_1)
18309 e_4_2_3 = zetb*( c1*e_3_2_2 &
18310 +c3*e_4_2_2&
18311
18312 )
18313 e_5_2_3 = zetb*( c1*e_4_2_2 &
18314
18315
18316 )
18317 e_0_1_3 = zeta*( &
18318 +c2*e_0_0_3&
18319 +2*e_1_0_3 &
18320 )
18321 e_1_1_3 = zeta*( c1*e_0_0_3 &
18322 +c2*e_1_0_3&
18323 +4*e_2_0_3 &
18324 )
18325 e_2_1_3 = zeta*( c1*e_1_0_3 &
18326 +c2*e_2_0_3&
18327 +6*e_3_0_3 &
18328 )
18329 e_3_1_3 = zeta*( c1*e_2_0_3 &
18330 +c2*e_3_0_3&
18331
18332 )
18333 e_4_1_3 = zeta*( c1*e_3_0_3 &
18334
18335
18336 )
18337 e_0_2_3 = zeta*( &
18338 +c2*e_0_1_3&
18339 +2*e_1_1_3 &
18340 -2*e_0_0_3)
18341 e_1_2_3 = zeta*( c1*e_0_1_3 &
18342 +c2*e_1_1_3&
18343 +4*e_2_1_3 &
18344 -2*e_1_0_3)
18345 e_2_2_3 = zeta*( c1*e_1_1_3 &
18346 +c2*e_2_1_3&
18347 +6*e_3_1_3 &
18348 -2*e_2_0_3)
18349 e_3_2_3 = zeta*( c1*e_2_1_3 &
18350 +c2*e_3_1_3&
18351 +8*e_4_1_3 &
18352 -2*e_3_0_3)
18353 e_4_2_3 = zeta*( c1*e_3_1_3 &
18354 +c2*e_4_1_3&
18355
18356 )
18357 e_5_2_3 = zeta*( c1*e_4_1_3 &
18358
18359
18360 )
18361
18362 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
18363 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
18364 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
18365 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
18366 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
18367 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
18368 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
18369 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
18370 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
18371 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
18372 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
18373 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
18374 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
18375 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
18376 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
18377 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
18378 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
18379 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
18380 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
18381 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
18382 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
18383 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
18384 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
18385 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
18386 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
18387 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
18388 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
18389 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
18390 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
18391 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
18392 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
18393 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
18394 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
18395 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
18396 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
18397 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
18398 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
18399 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
18400 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
18401 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
18402 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
18403 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
18404 r1 = r1 + dr
18405 END DO
18406
18407 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
18408 END SUBROUTINE
18409 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_1_exp_0 ( &
18410 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
18411 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
18412 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
18413 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
18414 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
18415 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
18416 r_pow_t, r_tmp, rr1_delta, rr2_delta
18417
18418 REAL(kind=dp) :: c1, c2, c3
18419 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
18420 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
18421 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
18422 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
18423 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
18424 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
18425 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
18426 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
18427 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
18428
18429
18430 dr = lgth
18431 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
18432
18433 s_r(:, :, :) = 0.0_dp
18434
18435 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
18436
18437 h_to_c_0_0 = sqrt(alpha/pi)
18438
18439 h_to_c_0_1 = 0.0_dp
18440 h_to_c_1_1 = +2*alpha*h_to_c_0_0
18441 h_to_c_0_2 = -1*h_to_c_1_1
18442 h_to_c_1_2 = +2*alpha*h_to_c_0_1
18443 h_to_c_2_2 = +2*alpha*h_to_c_1_1
18444 h_to_c_0_3 = -1*h_to_c_1_2
18445 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
18446 h_to_c_2_3 = +2*alpha*h_to_c_1_2
18447 h_to_c_3_3 = +2*alpha*h_to_c_2_2
18448 h_to_c_0_4 = -1*h_to_c_1_3
18449 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
18450 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18451 h_to_c_3_4 = +2*alpha*h_to_c_2_3
18452 h_to_c_4_4 = +2*alpha*h_to_c_3_3
18453 h_to_c_0_5 = -1*h_to_c_1_4
18454 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18455 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18456 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18457 h_to_c_4_5 = +2*alpha*h_to_c_3_4
18458 h_to_c_5_5 = +2*alpha*h_to_c_4_4
18459 h_to_c_0_6 = -1*h_to_c_1_5
18460 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
18461 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
18462 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
18463 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
18464 h_to_c_5_6 = +2*alpha*h_to_c_4_5
18465 h_to_c_6_6 = +2*alpha*h_to_c_5_5
18466
18467
18468 rr1_delta = (ra - rb)/dr
18469
18470 rr1_l = ceiling(-r_c(1) + rr1_delta)
18471 rr1_r = floor(r_c(1) + rr1_delta)
18472
18473 r1 = rr1_l*dr
18474
18475 alpha_e = zeta*zetb/(zeta + zetb)
18476
18477 DO rr1 = rr1_l, rr1_r
18478 s_r_t_0 = 0.0_dp
18479 s_r_t2_0 = 0.0_dp
18480 s_r_t_1 = 0.0_dp
18481 s_r_t2_1 = 0.0_dp
18482 s_r_t_2 = 0.0_dp
18483 s_r_t2_2 = 0.0_dp
18484 s_r_t_3 = 0.0_dp
18485 s_r_t2_3 = 0.0_dp
18486 s_r_t_4 = 0.0_dp
18487 s_r_t2_4 = 0.0_dp
18488 s_r_t_5 = 0.0_dp
18489 s_r_t2_5 = 0.0_dp
18490 s_r_t_6 = 0.0_dp
18491 s_r_t2_6 = 0.0_dp
18492 r_tmp = r_offset + r1*zeta/(zeta + zetb)
18493 rr2_delta = -r_tmp/dr
18494
18495 rr2_l = ceiling(-r_c(2) + rr2_delta)
18496 rr2_r = floor(r_c(2) + rr2_delta)
18497
18498 r = r_tmp + (rr2_l)*dr
18499
18500
18501 DO rr2 = rr2_l, rr2_r
18502 r_pow_t = 1.0_dp
18503 exp2_rsq = exp(-alpha*r*r)
18504 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
18505 r_pow_t = r_pow_t*r
18506 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
18507 r_pow_t = r_pow_t*r
18508 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
18509 r_pow_t = r_pow_t*r
18510 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
18511 r_pow_t = r_pow_t*r
18512 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
18513 r_pow_t = r_pow_t*r
18514 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
18515 r_pow_t = r_pow_t*r
18516 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
18517
18518 r = r + dr
18519 END DO
18520
18521 ! C --> H
18522 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
18523 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
18524 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
18525 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
18526 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
18527 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
18528 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
18529 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
18530 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
18531 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
18532 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
18533 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
18534 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
18535 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
18536 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
18537 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
18538 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
18539 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
18540 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
18541 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
18542 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
18543 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
18544 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
18545 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
18546 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
18547 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
18548 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
18549 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
18550
18551 ! H --> HH
18552 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
18553
18554 c1 = 1.0_dp/(zeta + zetb)
18555 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
18556 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
18557
18558 e_0_1_0 = zeta*( &
18559 +c2*e_0_0_0&
18560
18561 )
18562 e_0_0_1 = zetb*( &
18563 +c3*e_0_0_0&
18564
18565 )
18566 e_1_1_0 = zeta*( c1*e_0_0_0 &
18567
18568
18569 )
18570 e_1_0_1 = zetb*( c1*e_0_0_0 &
18571
18572
18573 )
18574 e_0_2_0 = zeta*( &
18575 +c2*e_0_1_0&
18576 +2*e_1_1_0 &
18577 -2*e_0_0_0)
18578 e_0_1_1 = zetb*( &
18579 +c3*e_0_1_0&
18580 +2*e_1_1_0 &
18581 )
18582 e_1_2_0 = zeta*( c1*e_0_1_0 &
18583 +c2*e_1_1_0&
18584
18585 )
18586 e_1_1_1 = zetb*( c1*e_0_1_0 &
18587 +c3*e_1_1_0&
18588
18589 )
18590 e_2_2_0 = zeta*( c1*e_1_1_0 &
18591
18592
18593 )
18594 e_2_1_1 = zetb*( c1*e_1_1_0 &
18595
18596
18597 )
18598 e_0_2_1 = zetb*( &
18599 +c3*e_0_2_0&
18600 +2*e_1_2_0 &
18601 )
18602 e_1_2_1 = zetb*( c1*e_0_2_0 &
18603 +c3*e_1_2_0&
18604 +4*e_2_2_0 &
18605 )
18606 e_2_2_1 = zetb*( c1*e_1_2_0 &
18607 +c3*e_2_2_0&
18608
18609 )
18610 e_3_2_1 = zetb*( c1*e_2_2_0 &
18611
18612
18613 )
18614 e_0_1_1 = zeta*( &
18615 +c2*e_0_0_1&
18616 +2*e_1_0_1 &
18617 )
18618 e_0_0_2 = zetb*( &
18619 +c3*e_0_0_1&
18620 +2*e_1_0_1 &
18621 -2*e_0_0_0)
18622 e_1_1_1 = zeta*( c1*e_0_0_1 &
18623 +c2*e_1_0_1&
18624
18625 )
18626 e_1_0_2 = zetb*( c1*e_0_0_1 &
18627 +c3*e_1_0_1&
18628
18629 )
18630 e_2_1_1 = zeta*( c1*e_1_0_1 &
18631
18632
18633 )
18634 e_2_0_2 = zetb*( c1*e_1_0_1 &
18635
18636
18637 )
18638 e_0_2_1 = zeta*( &
18639 +c2*e_0_1_1&
18640 +2*e_1_1_1 &
18641 -2*e_0_0_1)
18642 e_0_1_2 = zetb*( &
18643 +c3*e_0_1_1&
18644 +2*e_1_1_1 &
18645 -2*e_0_1_0)
18646 e_1_2_1 = zeta*( c1*e_0_1_1 &
18647 +c2*e_1_1_1&
18648 +4*e_2_1_1 &
18649 -2*e_1_0_1)
18650 e_1_1_2 = zetb*( c1*e_0_1_1 &
18651 +c3*e_1_1_1&
18652 +4*e_2_1_1 &
18653 -2*e_1_1_0)
18654 e_2_2_1 = zeta*( c1*e_1_1_1 &
18655 +c2*e_2_1_1&
18656
18657 )
18658 e_2_1_2 = zetb*( c1*e_1_1_1 &
18659 +c3*e_2_1_1&
18660
18661 )
18662 e_3_2_1 = zeta*( c1*e_2_1_1 &
18663
18664
18665 )
18666 e_3_1_2 = zetb*( c1*e_2_1_1 &
18667
18668
18669 )
18670 e_0_2_2 = zetb*( &
18671 +c3*e_0_2_1&
18672 +2*e_1_2_1 &
18673 -2*e_0_2_0)
18674 e_1_2_2 = zetb*( c1*e_0_2_1 &
18675 +c3*e_1_2_1&
18676 +4*e_2_2_1 &
18677 -2*e_1_2_0)
18678 e_2_2_2 = zetb*( c1*e_1_2_1 &
18679 +c3*e_2_2_1&
18680 +6*e_3_2_1 &
18681 -2*e_2_2_0)
18682 e_3_2_2 = zetb*( c1*e_2_2_1 &
18683 +c3*e_3_2_1&
18684
18685 )
18686 e_4_2_2 = zetb*( c1*e_3_2_1 &
18687
18688
18689 )
18690 e_0_1_2 = zeta*( &
18691 +c2*e_0_0_2&
18692 +2*e_1_0_2 &
18693 )
18694 e_0_0_3 = zetb*( &
18695 +c3*e_0_0_2&
18696 +2*e_1_0_2 &
18697 -4*e_0_0_1)
18698 e_1_1_2 = zeta*( c1*e_0_0_2 &
18699 +c2*e_1_0_2&
18700 +4*e_2_0_2 &
18701 )
18702 e_1_0_3 = zetb*( c1*e_0_0_2 &
18703 +c3*e_1_0_2&
18704 +4*e_2_0_2 &
18705 -4*e_1_0_1)
18706 e_2_1_2 = zeta*( c1*e_1_0_2 &
18707 +c2*e_2_0_2&
18708
18709 )
18710 e_2_0_3 = zetb*( c1*e_1_0_2 &
18711 +c3*e_2_0_2&
18712
18713 )
18714 e_3_1_2 = zeta*( c1*e_2_0_2 &
18715
18716
18717 )
18718 e_3_0_3 = zetb*( c1*e_2_0_2 &
18719
18720
18721 )
18722 e_0_2_2 = zeta*( &
18723 +c2*e_0_1_2&
18724 +2*e_1_1_2 &
18725 -2*e_0_0_2)
18726 e_0_1_3 = zetb*( &
18727 +c3*e_0_1_2&
18728 +2*e_1_1_2 &
18729 -4*e_0_1_1)
18730 e_1_2_2 = zeta*( c1*e_0_1_2 &
18731 +c2*e_1_1_2&
18732 +4*e_2_1_2 &
18733 -2*e_1_0_2)
18734 e_1_1_3 = zetb*( c1*e_0_1_2 &
18735 +c3*e_1_1_2&
18736 +4*e_2_1_2 &
18737 -4*e_1_1_1)
18738 e_2_2_2 = zeta*( c1*e_1_1_2 &
18739 +c2*e_2_1_2&
18740 +6*e_3_1_2 &
18741 -2*e_2_0_2)
18742 e_2_1_3 = zetb*( c1*e_1_1_2 &
18743 +c3*e_2_1_2&
18744 +6*e_3_1_2 &
18745 -4*e_2_1_1)
18746 e_3_2_2 = zeta*( c1*e_2_1_2 &
18747 +c2*e_3_1_2&
18748
18749 )
18750 e_3_1_3 = zetb*( c1*e_2_1_2 &
18751 +c3*e_3_1_2&
18752
18753 )
18754 e_4_2_2 = zeta*( c1*e_3_1_2 &
18755
18756
18757 )
18758 e_4_1_3 = zetb*( c1*e_3_1_2 &
18759
18760
18761 )
18762 e_0_2_3 = zetb*( &
18763 +c3*e_0_2_2&
18764 +2*e_1_2_2 &
18765 -4*e_0_2_1)
18766 e_1_2_3 = zetb*( c1*e_0_2_2 &
18767 +c3*e_1_2_2&
18768 +4*e_2_2_2 &
18769 -4*e_1_2_1)
18770 e_2_2_3 = zetb*( c1*e_1_2_2 &
18771 +c3*e_2_2_2&
18772 +6*e_3_2_2 &
18773 -4*e_2_2_1)
18774 e_3_2_3 = zetb*( c1*e_2_2_2 &
18775 +c3*e_3_2_2&
18776 +8*e_4_2_2 &
18777 -4*e_3_2_1)
18778 e_4_2_3 = zetb*( c1*e_3_2_2 &
18779 +c3*e_4_2_2&
18780
18781 )
18782 e_5_2_3 = zetb*( c1*e_4_2_2 &
18783
18784
18785 )
18786 e_0_1_3 = zeta*( &
18787 +c2*e_0_0_3&
18788 +2*e_1_0_3 &
18789 )
18790 e_1_1_3 = zeta*( c1*e_0_0_3 &
18791 +c2*e_1_0_3&
18792 +4*e_2_0_3 &
18793 )
18794 e_2_1_3 = zeta*( c1*e_1_0_3 &
18795 +c2*e_2_0_3&
18796 +6*e_3_0_3 &
18797 )
18798 e_3_1_3 = zeta*( c1*e_2_0_3 &
18799 +c2*e_3_0_3&
18800
18801 )
18802 e_4_1_3 = zeta*( c1*e_3_0_3 &
18803
18804
18805 )
18806 e_0_2_3 = zeta*( &
18807 +c2*e_0_1_3&
18808 +2*e_1_1_3 &
18809 -2*e_0_0_3)
18810 e_1_2_3 = zeta*( c1*e_0_1_3 &
18811 +c2*e_1_1_3&
18812 +4*e_2_1_3 &
18813 -2*e_1_0_3)
18814 e_2_2_3 = zeta*( c1*e_1_1_3 &
18815 +c2*e_2_1_3&
18816 +6*e_3_1_3 &
18817 -2*e_2_0_3)
18818 e_3_2_3 = zeta*( c1*e_2_1_3 &
18819 +c2*e_3_1_3&
18820 +8*e_4_1_3 &
18821 -2*e_3_0_3)
18822 e_4_2_3 = zeta*( c1*e_3_1_3 &
18823 +c2*e_4_1_3&
18824
18825 )
18826 e_5_2_3 = zeta*( c1*e_4_1_3 &
18827
18828
18829 )
18830
18831 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
18832 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
18833 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
18834 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
18835 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
18836 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
18837 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
18838 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
18839 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
18840 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
18841 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
18842 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
18843 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
18844 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
18845 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
18846 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
18847 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
18848 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
18849 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
18850 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
18851 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
18852 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
18853 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
18854 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
18855 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
18856 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
18857 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
18858 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
18859 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
18860 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
18861 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
18862 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
18863 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
18864 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
18865 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
18866 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
18867 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
18868 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
18869 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
18870 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
18871 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
18872 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
18873 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
18874 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
18875 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
18876 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
18877 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
18878 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
18879 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
18880 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
18881 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
18882 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
18883 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
18884 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
18885 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
18886 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
18887 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
18888 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
18889 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
18890 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
18891 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
18892 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
18893 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
18894 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
18895 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
18896 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
18897 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
18898 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
18899 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
18900 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
18901 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
18902 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
18903 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
18904 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
18905 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
18906 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
18907 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
18908 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
18909 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
18910 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
18911 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
18912 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
18913 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
18914 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
18915 r1 = r1 + dr
18916 END DO
18917
18918 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
18919 END SUBROUTINE
18920 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_2_exp_0 ( &
18921 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
18922 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
18923 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
18924 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
18925 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
18926 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
18927 r_pow_t, r_tmp, rr1_delta, rr2_delta
18928
18929 REAL(kind=dp) :: c1, c2, c3
18930 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
18931 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
18932 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
18933 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
18934 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
18935 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
18936 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
18937 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
18938 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
18939 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
18940
18941
18942 dr = lgth
18943 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
18944
18945 s_r(:, :, :) = 0.0_dp
18946
18947 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
18948
18949 h_to_c_0_0 = sqrt(alpha/pi)
18950
18951 h_to_c_0_1 = 0.0_dp
18952 h_to_c_1_1 = +2*alpha*h_to_c_0_0
18953 h_to_c_0_2 = -1*h_to_c_1_1
18954 h_to_c_1_2 = +2*alpha*h_to_c_0_1
18955 h_to_c_2_2 = +2*alpha*h_to_c_1_1
18956 h_to_c_0_3 = -1*h_to_c_1_2
18957 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
18958 h_to_c_2_3 = +2*alpha*h_to_c_1_2
18959 h_to_c_3_3 = +2*alpha*h_to_c_2_2
18960 h_to_c_0_4 = -1*h_to_c_1_3
18961 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
18962 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18963 h_to_c_3_4 = +2*alpha*h_to_c_2_3
18964 h_to_c_4_4 = +2*alpha*h_to_c_3_3
18965 h_to_c_0_5 = -1*h_to_c_1_4
18966 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18967 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18968 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18969 h_to_c_4_5 = +2*alpha*h_to_c_3_4
18970 h_to_c_5_5 = +2*alpha*h_to_c_4_4
18971 h_to_c_0_6 = -1*h_to_c_1_5
18972 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
18973 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
18974 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
18975 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
18976 h_to_c_5_6 = +2*alpha*h_to_c_4_5
18977 h_to_c_6_6 = +2*alpha*h_to_c_5_5
18978 h_to_c_0_7 = -1*h_to_c_1_6
18979 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
18980 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
18981 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
18982 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
18983 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
18984 h_to_c_6_7 = +2*alpha*h_to_c_5_6
18985 h_to_c_7_7 = +2*alpha*h_to_c_6_6
18986
18987
18988 rr1_delta = (ra - rb)/dr
18989
18990 rr1_l = ceiling(-r_c(1) + rr1_delta)
18991 rr1_r = floor(r_c(1) + rr1_delta)
18992
18993 r1 = rr1_l*dr
18994
18995 alpha_e = zeta*zetb/(zeta + zetb)
18996
18997 DO rr1 = rr1_l, rr1_r
18998 s_r_t_0 = 0.0_dp
18999 s_r_t2_0 = 0.0_dp
19000 s_r_t_1 = 0.0_dp
19001 s_r_t2_1 = 0.0_dp
19002 s_r_t_2 = 0.0_dp
19003 s_r_t2_2 = 0.0_dp
19004 s_r_t_3 = 0.0_dp
19005 s_r_t2_3 = 0.0_dp
19006 s_r_t_4 = 0.0_dp
19007 s_r_t2_4 = 0.0_dp
19008 s_r_t_5 = 0.0_dp
19009 s_r_t2_5 = 0.0_dp
19010 s_r_t_6 = 0.0_dp
19011 s_r_t2_6 = 0.0_dp
19012 s_r_t_7 = 0.0_dp
19013 s_r_t2_7 = 0.0_dp
19014 r_tmp = r_offset + r1*zeta/(zeta + zetb)
19015 rr2_delta = -r_tmp/dr
19016
19017 rr2_l = ceiling(-r_c(2) + rr2_delta)
19018 rr2_r = floor(r_c(2) + rr2_delta)
19019
19020 r = r_tmp + (rr2_l)*dr
19021
19022
19023 DO rr2 = rr2_l, rr2_r
19024 r_pow_t = 1.0_dp
19025 exp2_rsq = exp(-alpha*r*r)
19026 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
19027 r_pow_t = r_pow_t*r
19028 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
19029 r_pow_t = r_pow_t*r
19030 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
19031 r_pow_t = r_pow_t*r
19032 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
19033 r_pow_t = r_pow_t*r
19034 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
19035 r_pow_t = r_pow_t*r
19036 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
19037 r_pow_t = r_pow_t*r
19038 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
19039 r_pow_t = r_pow_t*r
19040 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
19041
19042 r = r + dr
19043 END DO
19044
19045 ! C --> H
19046 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
19047 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
19048 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
19049 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
19050 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
19051 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
19052 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
19053 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
19054 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
19055 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
19056 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
19057 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
19058 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
19059 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
19060 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
19061 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
19062 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
19063 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
19064 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
19065 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
19066 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
19067 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
19068 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
19069 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
19070 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
19071 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
19072 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
19073 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
19074 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
19075 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
19076 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
19077 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
19078 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
19079 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
19080 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
19081 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
19082
19083 ! H --> HH
19084 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
19085
19086 c1 = 1.0_dp/(zeta + zetb)
19087 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
19088 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
19089
19090 e_0_1_0 = zeta*( &
19091 +c2*e_0_0_0&
19092
19093 )
19094 e_0_0_1 = zetb*( &
19095 +c3*e_0_0_0&
19096
19097 )
19098 e_1_1_0 = zeta*( c1*e_0_0_0 &
19099
19100
19101 )
19102 e_1_0_1 = zetb*( c1*e_0_0_0 &
19103
19104
19105 )
19106 e_0_2_0 = zeta*( &
19107 +c2*e_0_1_0&
19108 +2*e_1_1_0 &
19109 -2*e_0_0_0)
19110 e_0_1_1 = zetb*( &
19111 +c3*e_0_1_0&
19112 +2*e_1_1_0 &
19113 )
19114 e_1_2_0 = zeta*( c1*e_0_1_0 &
19115 +c2*e_1_1_0&
19116
19117 )
19118 e_1_1_1 = zetb*( c1*e_0_1_0 &
19119 +c3*e_1_1_0&
19120
19121 )
19122 e_2_2_0 = zeta*( c1*e_1_1_0 &
19123
19124
19125 )
19126 e_2_1_1 = zetb*( c1*e_1_1_0 &
19127
19128
19129 )
19130 e_0_2_1 = zetb*( &
19131 +c3*e_0_2_0&
19132 +2*e_1_2_0 &
19133 )
19134 e_1_2_1 = zetb*( c1*e_0_2_0 &
19135 +c3*e_1_2_0&
19136 +4*e_2_2_0 &
19137 )
19138 e_2_2_1 = zetb*( c1*e_1_2_0 &
19139 +c3*e_2_2_0&
19140
19141 )
19142 e_3_2_1 = zetb*( c1*e_2_2_0 &
19143
19144
19145 )
19146 e_0_1_1 = zeta*( &
19147 +c2*e_0_0_1&
19148 +2*e_1_0_1 &
19149 )
19150 e_0_0_2 = zetb*( &
19151 +c3*e_0_0_1&
19152 +2*e_1_0_1 &
19153 -2*e_0_0_0)
19154 e_1_1_1 = zeta*( c1*e_0_0_1 &
19155 +c2*e_1_0_1&
19156
19157 )
19158 e_1_0_2 = zetb*( c1*e_0_0_1 &
19159 +c3*e_1_0_1&
19160
19161 )
19162 e_2_1_1 = zeta*( c1*e_1_0_1 &
19163
19164
19165 )
19166 e_2_0_2 = zetb*( c1*e_1_0_1 &
19167
19168
19169 )
19170 e_0_2_1 = zeta*( &
19171 +c2*e_0_1_1&
19172 +2*e_1_1_1 &
19173 -2*e_0_0_1)
19174 e_0_1_2 = zetb*( &
19175 +c3*e_0_1_1&
19176 +2*e_1_1_1 &
19177 -2*e_0_1_0)
19178 e_1_2_1 = zeta*( c1*e_0_1_1 &
19179 +c2*e_1_1_1&
19180 +4*e_2_1_1 &
19181 -2*e_1_0_1)
19182 e_1_1_2 = zetb*( c1*e_0_1_1 &
19183 +c3*e_1_1_1&
19184 +4*e_2_1_1 &
19185 -2*e_1_1_0)
19186 e_2_2_1 = zeta*( c1*e_1_1_1 &
19187 +c2*e_2_1_1&
19188
19189 )
19190 e_2_1_2 = zetb*( c1*e_1_1_1 &
19191 +c3*e_2_1_1&
19192
19193 )
19194 e_3_2_1 = zeta*( c1*e_2_1_1 &
19195
19196
19197 )
19198 e_3_1_2 = zetb*( c1*e_2_1_1 &
19199
19200
19201 )
19202 e_0_2_2 = zetb*( &
19203 +c3*e_0_2_1&
19204 +2*e_1_2_1 &
19205 -2*e_0_2_0)
19206 e_1_2_2 = zetb*( c1*e_0_2_1 &
19207 +c3*e_1_2_1&
19208 +4*e_2_2_1 &
19209 -2*e_1_2_0)
19210 e_2_2_2 = zetb*( c1*e_1_2_1 &
19211 +c3*e_2_2_1&
19212 +6*e_3_2_1 &
19213 -2*e_2_2_0)
19214 e_3_2_2 = zetb*( c1*e_2_2_1 &
19215 +c3*e_3_2_1&
19216
19217 )
19218 e_4_2_2 = zetb*( c1*e_3_2_1 &
19219
19220
19221 )
19222 e_0_1_2 = zeta*( &
19223 +c2*e_0_0_2&
19224 +2*e_1_0_2 &
19225 )
19226 e_0_0_3 = zetb*( &
19227 +c3*e_0_0_2&
19228 +2*e_1_0_2 &
19229 -4*e_0_0_1)
19230 e_1_1_2 = zeta*( c1*e_0_0_2 &
19231 +c2*e_1_0_2&
19232 +4*e_2_0_2 &
19233 )
19234 e_1_0_3 = zetb*( c1*e_0_0_2 &
19235 +c3*e_1_0_2&
19236 +4*e_2_0_2 &
19237 -4*e_1_0_1)
19238 e_2_1_2 = zeta*( c1*e_1_0_2 &
19239 +c2*e_2_0_2&
19240
19241 )
19242 e_2_0_3 = zetb*( c1*e_1_0_2 &
19243 +c3*e_2_0_2&
19244
19245 )
19246 e_3_1_2 = zeta*( c1*e_2_0_2 &
19247
19248
19249 )
19250 e_3_0_3 = zetb*( c1*e_2_0_2 &
19251
19252
19253 )
19254 e_0_2_2 = zeta*( &
19255 +c2*e_0_1_2&
19256 +2*e_1_1_2 &
19257 -2*e_0_0_2)
19258 e_0_1_3 = zetb*( &
19259 +c3*e_0_1_2&
19260 +2*e_1_1_2 &
19261 -4*e_0_1_1)
19262 e_1_2_2 = zeta*( c1*e_0_1_2 &
19263 +c2*e_1_1_2&
19264 +4*e_2_1_2 &
19265 -2*e_1_0_2)
19266 e_1_1_3 = zetb*( c1*e_0_1_2 &
19267 +c3*e_1_1_2&
19268 +4*e_2_1_2 &
19269 -4*e_1_1_1)
19270 e_2_2_2 = zeta*( c1*e_1_1_2 &
19271 +c2*e_2_1_2&
19272 +6*e_3_1_2 &
19273 -2*e_2_0_2)
19274 e_2_1_3 = zetb*( c1*e_1_1_2 &
19275 +c3*e_2_1_2&
19276 +6*e_3_1_2 &
19277 -4*e_2_1_1)
19278 e_3_2_2 = zeta*( c1*e_2_1_2 &
19279 +c2*e_3_1_2&
19280
19281 )
19282 e_3_1_3 = zetb*( c1*e_2_1_2 &
19283 +c3*e_3_1_2&
19284
19285 )
19286 e_4_2_2 = zeta*( c1*e_3_1_2 &
19287
19288
19289 )
19290 e_4_1_3 = zetb*( c1*e_3_1_2 &
19291
19292
19293 )
19294 e_0_2_3 = zetb*( &
19295 +c3*e_0_2_2&
19296 +2*e_1_2_2 &
19297 -4*e_0_2_1)
19298 e_1_2_3 = zetb*( c1*e_0_2_2 &
19299 +c3*e_1_2_2&
19300 +4*e_2_2_2 &
19301 -4*e_1_2_1)
19302 e_2_2_3 = zetb*( c1*e_1_2_2 &
19303 +c3*e_2_2_2&
19304 +6*e_3_2_2 &
19305 -4*e_2_2_1)
19306 e_3_2_3 = zetb*( c1*e_2_2_2 &
19307 +c3*e_3_2_2&
19308 +8*e_4_2_2 &
19309 -4*e_3_2_1)
19310 e_4_2_3 = zetb*( c1*e_3_2_2 &
19311 +c3*e_4_2_2&
19312
19313 )
19314 e_5_2_3 = zetb*( c1*e_4_2_2 &
19315
19316
19317 )
19318 e_0_1_3 = zeta*( &
19319 +c2*e_0_0_3&
19320 +2*e_1_0_3 &
19321 )
19322 e_1_1_3 = zeta*( c1*e_0_0_3 &
19323 +c2*e_1_0_3&
19324 +4*e_2_0_3 &
19325 )
19326 e_2_1_3 = zeta*( c1*e_1_0_3 &
19327 +c2*e_2_0_3&
19328 +6*e_3_0_3 &
19329 )
19330 e_3_1_3 = zeta*( c1*e_2_0_3 &
19331 +c2*e_3_0_3&
19332
19333 )
19334 e_4_1_3 = zeta*( c1*e_3_0_3 &
19335
19336
19337 )
19338 e_0_2_3 = zeta*( &
19339 +c2*e_0_1_3&
19340 +2*e_1_1_3 &
19341 -2*e_0_0_3)
19342 e_1_2_3 = zeta*( c1*e_0_1_3 &
19343 +c2*e_1_1_3&
19344 +4*e_2_1_3 &
19345 -2*e_1_0_3)
19346 e_2_2_3 = zeta*( c1*e_1_1_3 &
19347 +c2*e_2_1_3&
19348 +6*e_3_1_3 &
19349 -2*e_2_0_3)
19350 e_3_2_3 = zeta*( c1*e_2_1_3 &
19351 +c2*e_3_1_3&
19352 +8*e_4_1_3 &
19353 -2*e_3_0_3)
19354 e_4_2_3 = zeta*( c1*e_3_1_3 &
19355 +c2*e_4_1_3&
19356
19357 )
19358 e_5_2_3 = zeta*( c1*e_4_1_3 &
19359
19360
19361 )
19362
19363 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
19364 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
19365 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
19366 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
19367 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
19368 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19369 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
19370 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
19371 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
19372 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
19373 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19374 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
19375 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
19376 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19377 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19378 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
19379 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
19380 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19381 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
19382 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
19383 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19384 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19385 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
19386 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
19387 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19388 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19389 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19390 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
19391 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
19392 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19393 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19394 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
19395 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
19396 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19397 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19398 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19399 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
19400 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
19401 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19402 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
19403 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
19404 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
19405 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
19406 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
19407 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
19408 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
19409 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
19410 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
19411 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
19412 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
19413 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
19414 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
19415 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
19416 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
19417 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
19418 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
19419 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
19420 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
19421 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
19422 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
19423 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
19424 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
19425 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
19426 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
19427 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
19428 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
19429 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
19430 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
19431 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
19432 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
19433 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
19434 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
19435 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
19436 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
19437 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
19438 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
19439 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
19440 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
19441 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
19442 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
19443 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
19444 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
19445 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
19446 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
19447 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
19448 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
19449 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
19450 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19451 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
19452 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
19453 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
19454 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
19455 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19456 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
19457 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
19458 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19459 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19460 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
19461 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
19462 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19463 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
19464 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
19465 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19466 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19467 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
19468 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
19469 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19470 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19471 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19472 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
19473 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
19474 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19475 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19476 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
19477 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
19478 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19479 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19480 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19481 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
19482 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
19483 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19484 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
19485 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
19486 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
19487 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
19488 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
19489 r1 = r1 + dr
19490 END DO
19491
19492 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
19493 END SUBROUTINE
19494 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_3_exp_0 ( &
19495 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
19496 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
19497 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
19498 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
19499 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
19500 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
19501 r_pow_t, r_tmp, rr1_delta, rr2_delta
19502
19503 REAL(kind=dp) :: c1, c2, c3
19504 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
19505 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
19506 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
19507 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
19508 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
19509 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
19510 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
19511 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
19512 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
19513 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
19514 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
19515
19516
19517 dr = lgth
19518 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
19519
19520 s_r(:, :, :) = 0.0_dp
19521
19522 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
19523
19524 h_to_c_0_0 = sqrt(alpha/pi)
19525
19526 h_to_c_0_1 = 0.0_dp
19527 h_to_c_1_1 = +2*alpha*h_to_c_0_0
19528 h_to_c_0_2 = -1*h_to_c_1_1
19529 h_to_c_1_2 = +2*alpha*h_to_c_0_1
19530 h_to_c_2_2 = +2*alpha*h_to_c_1_1
19531 h_to_c_0_3 = -1*h_to_c_1_2
19532 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
19533 h_to_c_2_3 = +2*alpha*h_to_c_1_2
19534 h_to_c_3_3 = +2*alpha*h_to_c_2_2
19535 h_to_c_0_4 = -1*h_to_c_1_3
19536 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
19537 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
19538 h_to_c_3_4 = +2*alpha*h_to_c_2_3
19539 h_to_c_4_4 = +2*alpha*h_to_c_3_3
19540 h_to_c_0_5 = -1*h_to_c_1_4
19541 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
19542 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
19543 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
19544 h_to_c_4_5 = +2*alpha*h_to_c_3_4
19545 h_to_c_5_5 = +2*alpha*h_to_c_4_4
19546 h_to_c_0_6 = -1*h_to_c_1_5
19547 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
19548 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
19549 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
19550 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
19551 h_to_c_5_6 = +2*alpha*h_to_c_4_5
19552 h_to_c_6_6 = +2*alpha*h_to_c_5_5
19553 h_to_c_0_7 = -1*h_to_c_1_6
19554 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
19555 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
19556 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
19557 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
19558 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
19559 h_to_c_6_7 = +2*alpha*h_to_c_5_6
19560 h_to_c_7_7 = +2*alpha*h_to_c_6_6
19561 h_to_c_0_8 = -1*h_to_c_1_7
19562 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
19563 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
19564 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
19565 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
19566 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
19567 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
19568 h_to_c_7_8 = +2*alpha*h_to_c_6_7
19569 h_to_c_8_8 = +2*alpha*h_to_c_7_7
19570
19571
19572 rr1_delta = (ra - rb)/dr
19573
19574 rr1_l = ceiling(-r_c(1) + rr1_delta)
19575 rr1_r = floor(r_c(1) + rr1_delta)
19576
19577 r1 = rr1_l*dr
19578
19579 alpha_e = zeta*zetb/(zeta + zetb)
19580
19581 DO rr1 = rr1_l, rr1_r
19582 s_r_t_0 = 0.0_dp
19583 s_r_t2_0 = 0.0_dp
19584 s_r_t_1 = 0.0_dp
19585 s_r_t2_1 = 0.0_dp
19586 s_r_t_2 = 0.0_dp
19587 s_r_t2_2 = 0.0_dp
19588 s_r_t_3 = 0.0_dp
19589 s_r_t2_3 = 0.0_dp
19590 s_r_t_4 = 0.0_dp
19591 s_r_t2_4 = 0.0_dp
19592 s_r_t_5 = 0.0_dp
19593 s_r_t2_5 = 0.0_dp
19594 s_r_t_6 = 0.0_dp
19595 s_r_t2_6 = 0.0_dp
19596 s_r_t_7 = 0.0_dp
19597 s_r_t2_7 = 0.0_dp
19598 s_r_t_8 = 0.0_dp
19599 s_r_t2_8 = 0.0_dp
19600 r_tmp = r_offset + r1*zeta/(zeta + zetb)
19601 rr2_delta = -r_tmp/dr
19602
19603 rr2_l = ceiling(-r_c(2) + rr2_delta)
19604 rr2_r = floor(r_c(2) + rr2_delta)
19605
19606 r = r_tmp + (rr2_l)*dr
19607
19608
19609 DO rr2 = rr2_l, rr2_r
19610 r_pow_t = 1.0_dp
19611 exp2_rsq = exp(-alpha*r*r)
19612 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
19613 r_pow_t = r_pow_t*r
19614 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
19615 r_pow_t = r_pow_t*r
19616 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
19617 r_pow_t = r_pow_t*r
19618 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
19619 r_pow_t = r_pow_t*r
19620 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
19621 r_pow_t = r_pow_t*r
19622 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
19623 r_pow_t = r_pow_t*r
19624 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
19625 r_pow_t = r_pow_t*r
19626 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
19627 r_pow_t = r_pow_t*r
19628 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
19629
19630 r = r + dr
19631 END DO
19632
19633 ! C --> H
19634 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
19635 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
19636 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
19637 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
19638 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
19639 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
19640 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
19641 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
19642 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
19643 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
19644 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
19645 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
19646 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
19647 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
19648 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
19649 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
19650 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
19651 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
19652 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
19653 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
19654 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
19655 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
19656 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
19657 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
19658 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
19659 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
19660 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
19661 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
19662 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
19663 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
19664 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
19665 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
19666 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
19667 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
19668 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
19669 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
19670 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
19671 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
19672 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
19673 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
19674 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
19675 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
19676 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
19677 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
19678 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
19679
19680 ! H --> HH
19681 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
19682
19683 c1 = 1.0_dp/(zeta + zetb)
19684 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
19685 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
19686
19687 e_0_1_0 = zeta*( &
19688 +c2*e_0_0_0&
19689
19690 )
19691 e_0_0_1 = zetb*( &
19692 +c3*e_0_0_0&
19693
19694 )
19695 e_1_1_0 = zeta*( c1*e_0_0_0 &
19696
19697
19698 )
19699 e_1_0_1 = zetb*( c1*e_0_0_0 &
19700
19701
19702 )
19703 e_0_2_0 = zeta*( &
19704 +c2*e_0_1_0&
19705 +2*e_1_1_0 &
19706 -2*e_0_0_0)
19707 e_0_1_1 = zetb*( &
19708 +c3*e_0_1_0&
19709 +2*e_1_1_0 &
19710 )
19711 e_1_2_0 = zeta*( c1*e_0_1_0 &
19712 +c2*e_1_1_0&
19713
19714 )
19715 e_1_1_1 = zetb*( c1*e_0_1_0 &
19716 +c3*e_1_1_0&
19717
19718 )
19719 e_2_2_0 = zeta*( c1*e_1_1_0 &
19720
19721
19722 )
19723 e_2_1_1 = zetb*( c1*e_1_1_0 &
19724
19725
19726 )
19727 e_0_2_1 = zetb*( &
19728 +c3*e_0_2_0&
19729 +2*e_1_2_0 &
19730 )
19731 e_1_2_1 = zetb*( c1*e_0_2_0 &
19732 +c3*e_1_2_0&
19733 +4*e_2_2_0 &
19734 )
19735 e_2_2_1 = zetb*( c1*e_1_2_0 &
19736 +c3*e_2_2_0&
19737
19738 )
19739 e_3_2_1 = zetb*( c1*e_2_2_0 &
19740
19741
19742 )
19743 e_0_1_1 = zeta*( &
19744 +c2*e_0_0_1&
19745 +2*e_1_0_1 &
19746 )
19747 e_0_0_2 = zetb*( &
19748 +c3*e_0_0_1&
19749 +2*e_1_0_1 &
19750 -2*e_0_0_0)
19751 e_1_1_1 = zeta*( c1*e_0_0_1 &
19752 +c2*e_1_0_1&
19753
19754 )
19755 e_1_0_2 = zetb*( c1*e_0_0_1 &
19756 +c3*e_1_0_1&
19757
19758 )
19759 e_2_1_1 = zeta*( c1*e_1_0_1 &
19760
19761
19762 )
19763 e_2_0_2 = zetb*( c1*e_1_0_1 &
19764
19765
19766 )
19767 e_0_2_1 = zeta*( &
19768 +c2*e_0_1_1&
19769 +2*e_1_1_1 &
19770 -2*e_0_0_1)
19771 e_0_1_2 = zetb*( &
19772 +c3*e_0_1_1&
19773 +2*e_1_1_1 &
19774 -2*e_0_1_0)
19775 e_1_2_1 = zeta*( c1*e_0_1_1 &
19776 +c2*e_1_1_1&
19777 +4*e_2_1_1 &
19778 -2*e_1_0_1)
19779 e_1_1_2 = zetb*( c1*e_0_1_1 &
19780 +c3*e_1_1_1&
19781 +4*e_2_1_1 &
19782 -2*e_1_1_0)
19783 e_2_2_1 = zeta*( c1*e_1_1_1 &
19784 +c2*e_2_1_1&
19785
19786 )
19787 e_2_1_2 = zetb*( c1*e_1_1_1 &
19788 +c3*e_2_1_1&
19789
19790 )
19791 e_3_2_1 = zeta*( c1*e_2_1_1 &
19792
19793
19794 )
19795 e_3_1_2 = zetb*( c1*e_2_1_1 &
19796
19797
19798 )
19799 e_0_2_2 = zetb*( &
19800 +c3*e_0_2_1&
19801 +2*e_1_2_1 &
19802 -2*e_0_2_0)
19803 e_1_2_2 = zetb*( c1*e_0_2_1 &
19804 +c3*e_1_2_1&
19805 +4*e_2_2_1 &
19806 -2*e_1_2_0)
19807 e_2_2_2 = zetb*( c1*e_1_2_1 &
19808 +c3*e_2_2_1&
19809 +6*e_3_2_1 &
19810 -2*e_2_2_0)
19811 e_3_2_2 = zetb*( c1*e_2_2_1 &
19812 +c3*e_3_2_1&
19813
19814 )
19815 e_4_2_2 = zetb*( c1*e_3_2_1 &
19816
19817
19818 )
19819 e_0_1_2 = zeta*( &
19820 +c2*e_0_0_2&
19821 +2*e_1_0_2 &
19822 )
19823 e_0_0_3 = zetb*( &
19824 +c3*e_0_0_2&
19825 +2*e_1_0_2 &
19826 -4*e_0_0_1)
19827 e_1_1_2 = zeta*( c1*e_0_0_2 &
19828 +c2*e_1_0_2&
19829 +4*e_2_0_2 &
19830 )
19831 e_1_0_3 = zetb*( c1*e_0_0_2 &
19832 +c3*e_1_0_2&
19833 +4*e_2_0_2 &
19834 -4*e_1_0_1)
19835 e_2_1_2 = zeta*( c1*e_1_0_2 &
19836 +c2*e_2_0_2&
19837
19838 )
19839 e_2_0_3 = zetb*( c1*e_1_0_2 &
19840 +c3*e_2_0_2&
19841
19842 )
19843 e_3_1_2 = zeta*( c1*e_2_0_2 &
19844
19845
19846 )
19847 e_3_0_3 = zetb*( c1*e_2_0_2 &
19848
19849
19850 )
19851 e_0_2_2 = zeta*( &
19852 +c2*e_0_1_2&
19853 +2*e_1_1_2 &
19854 -2*e_0_0_2)
19855 e_0_1_3 = zetb*( &
19856 +c3*e_0_1_2&
19857 +2*e_1_1_2 &
19858 -4*e_0_1_1)
19859 e_1_2_2 = zeta*( c1*e_0_1_2 &
19860 +c2*e_1_1_2&
19861 +4*e_2_1_2 &
19862 -2*e_1_0_2)
19863 e_1_1_3 = zetb*( c1*e_0_1_2 &
19864 +c3*e_1_1_2&
19865 +4*e_2_1_2 &
19866 -4*e_1_1_1)
19867 e_2_2_2 = zeta*( c1*e_1_1_2 &
19868 +c2*e_2_1_2&
19869 +6*e_3_1_2 &
19870 -2*e_2_0_2)
19871 e_2_1_3 = zetb*( c1*e_1_1_2 &
19872 +c3*e_2_1_2&
19873 +6*e_3_1_2 &
19874 -4*e_2_1_1)
19875 e_3_2_2 = zeta*( c1*e_2_1_2 &
19876 +c2*e_3_1_2&
19877
19878 )
19879 e_3_1_3 = zetb*( c1*e_2_1_2 &
19880 +c3*e_3_1_2&
19881
19882 )
19883 e_4_2_2 = zeta*( c1*e_3_1_2 &
19884
19885
19886 )
19887 e_4_1_3 = zetb*( c1*e_3_1_2 &
19888
19889
19890 )
19891 e_0_2_3 = zetb*( &
19892 +c3*e_0_2_2&
19893 +2*e_1_2_2 &
19894 -4*e_0_2_1)
19895 e_1_2_3 = zetb*( c1*e_0_2_2 &
19896 +c3*e_1_2_2&
19897 +4*e_2_2_2 &
19898 -4*e_1_2_1)
19899 e_2_2_3 = zetb*( c1*e_1_2_2 &
19900 +c3*e_2_2_2&
19901 +6*e_3_2_2 &
19902 -4*e_2_2_1)
19903 e_3_2_3 = zetb*( c1*e_2_2_2 &
19904 +c3*e_3_2_2&
19905 +8*e_4_2_2 &
19906 -4*e_3_2_1)
19907 e_4_2_3 = zetb*( c1*e_3_2_2 &
19908 +c3*e_4_2_2&
19909
19910 )
19911 e_5_2_3 = zetb*( c1*e_4_2_2 &
19912
19913
19914 )
19915 e_0_1_3 = zeta*( &
19916 +c2*e_0_0_3&
19917 +2*e_1_0_3 &
19918 )
19919 e_1_1_3 = zeta*( c1*e_0_0_3 &
19920 +c2*e_1_0_3&
19921 +4*e_2_0_3 &
19922 )
19923 e_2_1_3 = zeta*( c1*e_1_0_3 &
19924 +c2*e_2_0_3&
19925 +6*e_3_0_3 &
19926 )
19927 e_3_1_3 = zeta*( c1*e_2_0_3 &
19928 +c2*e_3_0_3&
19929
19930 )
19931 e_4_1_3 = zeta*( c1*e_3_0_3 &
19932
19933
19934 )
19935 e_0_2_3 = zeta*( &
19936 +c2*e_0_1_3&
19937 +2*e_1_1_3 &
19938 -2*e_0_0_3)
19939 e_1_2_3 = zeta*( c1*e_0_1_3 &
19940 +c2*e_1_1_3&
19941 +4*e_2_1_3 &
19942 -2*e_1_0_3)
19943 e_2_2_3 = zeta*( c1*e_1_1_3 &
19944 +c2*e_2_1_3&
19945 +6*e_3_1_3 &
19946 -2*e_2_0_3)
19947 e_3_2_3 = zeta*( c1*e_2_1_3 &
19948 +c2*e_3_1_3&
19949 +8*e_4_1_3 &
19950 -2*e_3_0_3)
19951 e_4_2_3 = zeta*( c1*e_3_1_3 &
19952 +c2*e_4_1_3&
19953
19954 )
19955 e_5_2_3 = zeta*( c1*e_4_1_3 &
19956
19957
19958 )
19959
19960 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
19961 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
19962 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
19963 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
19964 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
19965 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19966 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
19967 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
19968 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
19969 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
19970 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19971 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
19972 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
19973 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19974 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19975 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
19976 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
19977 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19978 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
19979 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
19980 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19981 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19982 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
19983 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
19984 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19985 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19986 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19987 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
19988 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
19989 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19990 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19991 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
19992 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
19993 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19994 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19995 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19996 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
19997 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
19998 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19999 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20000 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20001 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20002 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
20003 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
20004 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
20005 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
20006 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
20007 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20008 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
20009 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
20010 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
20011 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
20012 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20013 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
20014 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
20015 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20016 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20017 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
20018 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
20019 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20020 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
20021 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
20022 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20023 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20024 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
20025 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
20026 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20027 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20028 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20029 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
20030 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
20031 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20032 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20033 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
20034 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
20035 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20036 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20037 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20038 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
20039 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
20040 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20041 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20042 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20043 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20044 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
20045 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
20046 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
20047 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20048 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
20049 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20050 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
20051 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
20052 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20053 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
20054 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20055 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20056 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20057 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20058 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20059 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20060 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
20061 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20062 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20063 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20064 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20065 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20066 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20067 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20068 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20069 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20070 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20071 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20072 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20073 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20074 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20075 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20076 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20077 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20078 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20079 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20080 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20081 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20082 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20083 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20084 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20085 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20086 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
20087 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
20088 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
20089 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20090 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
20091 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
20092 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
20093 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
20094 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20095 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
20096 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
20097 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20098 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20099 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
20100 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
20101 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20102 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
20103 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
20104 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20105 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20106 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
20107 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
20108 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20109 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20110 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20111 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
20112 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
20113 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20114 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20115 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
20116 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
20117 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20118 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20119 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20120 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
20121 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
20122 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20123 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20124 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20125 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20126 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
20127 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
20128 r1 = r1 + dr
20129 END DO
20130
20131 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
20132 END SUBROUTINE
20133 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_4_exp_0 ( &
20134 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
20135 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
20136 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
20137 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
20138 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
20139 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
20140 r_pow_t, r_tmp, rr1_delta, rr2_delta
20141
20142 REAL(kind=dp) :: c1, c2, c3
20143 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
20144 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
20145 & s_r_t2_9
20146 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
20147 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
20148 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
20149 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
20150 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
20151 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
20152 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
20153 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
20154 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
20155 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
20156
20157
20158 dr = lgth
20159 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
20160
20161 s_r(:, :, :) = 0.0_dp
20162
20163 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
20164
20165 h_to_c_0_0 = sqrt(alpha/pi)
20166
20167 h_to_c_0_1 = 0.0_dp
20168 h_to_c_1_1 = +2*alpha*h_to_c_0_0
20169 h_to_c_0_2 = -1*h_to_c_1_1
20170 h_to_c_1_2 = +2*alpha*h_to_c_0_1
20171 h_to_c_2_2 = +2*alpha*h_to_c_1_1
20172 h_to_c_0_3 = -1*h_to_c_1_2
20173 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
20174 h_to_c_2_3 = +2*alpha*h_to_c_1_2
20175 h_to_c_3_3 = +2*alpha*h_to_c_2_2
20176 h_to_c_0_4 = -1*h_to_c_1_3
20177 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
20178 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
20179 h_to_c_3_4 = +2*alpha*h_to_c_2_3
20180 h_to_c_4_4 = +2*alpha*h_to_c_3_3
20181 h_to_c_0_5 = -1*h_to_c_1_4
20182 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
20183 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
20184 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
20185 h_to_c_4_5 = +2*alpha*h_to_c_3_4
20186 h_to_c_5_5 = +2*alpha*h_to_c_4_4
20187 h_to_c_0_6 = -1*h_to_c_1_5
20188 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
20189 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
20190 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
20191 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
20192 h_to_c_5_6 = +2*alpha*h_to_c_4_5
20193 h_to_c_6_6 = +2*alpha*h_to_c_5_5
20194 h_to_c_0_7 = -1*h_to_c_1_6
20195 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
20196 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
20197 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
20198 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
20199 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
20200 h_to_c_6_7 = +2*alpha*h_to_c_5_6
20201 h_to_c_7_7 = +2*alpha*h_to_c_6_6
20202 h_to_c_0_8 = -1*h_to_c_1_7
20203 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
20204 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
20205 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
20206 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
20207 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
20208 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
20209 h_to_c_7_8 = +2*alpha*h_to_c_6_7
20210 h_to_c_8_8 = +2*alpha*h_to_c_7_7
20211 h_to_c_0_9 = -1*h_to_c_1_8
20212 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
20213 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
20214 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
20215 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
20216 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
20217 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
20218 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
20219 h_to_c_8_9 = +2*alpha*h_to_c_7_8
20220 h_to_c_9_9 = +2*alpha*h_to_c_8_8
20221
20222
20223 rr1_delta = (ra - rb)/dr
20224
20225 rr1_l = ceiling(-r_c(1) + rr1_delta)
20226 rr1_r = floor(r_c(1) + rr1_delta)
20227
20228 r1 = rr1_l*dr
20229
20230 alpha_e = zeta*zetb/(zeta + zetb)
20231
20232 DO rr1 = rr1_l, rr1_r
20233 s_r_t_0 = 0.0_dp
20234 s_r_t2_0 = 0.0_dp
20235 s_r_t_1 = 0.0_dp
20236 s_r_t2_1 = 0.0_dp
20237 s_r_t_2 = 0.0_dp
20238 s_r_t2_2 = 0.0_dp
20239 s_r_t_3 = 0.0_dp
20240 s_r_t2_3 = 0.0_dp
20241 s_r_t_4 = 0.0_dp
20242 s_r_t2_4 = 0.0_dp
20243 s_r_t_5 = 0.0_dp
20244 s_r_t2_5 = 0.0_dp
20245 s_r_t_6 = 0.0_dp
20246 s_r_t2_6 = 0.0_dp
20247 s_r_t_7 = 0.0_dp
20248 s_r_t2_7 = 0.0_dp
20249 s_r_t_8 = 0.0_dp
20250 s_r_t2_8 = 0.0_dp
20251 s_r_t_9 = 0.0_dp
20252 s_r_t2_9 = 0.0_dp
20253 r_tmp = r_offset + r1*zeta/(zeta + zetb)
20254 rr2_delta = -r_tmp/dr
20255
20256 rr2_l = ceiling(-r_c(2) + rr2_delta)
20257 rr2_r = floor(r_c(2) + rr2_delta)
20258
20259 r = r_tmp + (rr2_l)*dr
20260
20261
20262 DO rr2 = rr2_l, rr2_r
20263 r_pow_t = 1.0_dp
20264 exp2_rsq = exp(-alpha*r*r)
20265 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
20266 r_pow_t = r_pow_t*r
20267 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
20268 r_pow_t = r_pow_t*r
20269 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
20270 r_pow_t = r_pow_t*r
20271 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
20272 r_pow_t = r_pow_t*r
20273 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
20274 r_pow_t = r_pow_t*r
20275 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
20276 r_pow_t = r_pow_t*r
20277 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
20278 r_pow_t = r_pow_t*r
20279 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
20280 r_pow_t = r_pow_t*r
20281 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
20282 r_pow_t = r_pow_t*r
20283 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
20284
20285 r = r + dr
20286 END DO
20287
20288 ! C --> H
20289 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
20290 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
20291 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
20292 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
20293 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
20294 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
20295 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
20296 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
20297 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
20298 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
20299 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
20300 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
20301 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
20302 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
20303 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
20304 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
20305 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
20306 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
20307 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
20308 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
20309 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
20310 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
20311 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
20312 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
20313 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
20314 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
20315 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
20316 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
20317 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
20318 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
20319 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
20320 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
20321 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
20322 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
20323 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
20324 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
20325 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
20326 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
20327 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
20328 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
20329 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
20330 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
20331 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
20332 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
20333 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
20334 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
20335 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
20336 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
20337 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
20338 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
20339 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
20340 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
20341 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
20342 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
20343 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
20344
20345 ! H --> HH
20346 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
20347
20348 c1 = 1.0_dp/(zeta + zetb)
20349 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
20350 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
20351
20352 e_0_1_0 = zeta*( &
20353 +c2*e_0_0_0&
20354
20355 )
20356 e_0_0_1 = zetb*( &
20357 +c3*e_0_0_0&
20358
20359 )
20360 e_1_1_0 = zeta*( c1*e_0_0_0 &
20361
20362
20363 )
20364 e_1_0_1 = zetb*( c1*e_0_0_0 &
20365
20366
20367 )
20368 e_0_2_0 = zeta*( &
20369 +c2*e_0_1_0&
20370 +2*e_1_1_0 &
20371 -2*e_0_0_0)
20372 e_0_1_1 = zetb*( &
20373 +c3*e_0_1_0&
20374 +2*e_1_1_0 &
20375 )
20376 e_1_2_0 = zeta*( c1*e_0_1_0 &
20377 +c2*e_1_1_0&
20378
20379 )
20380 e_1_1_1 = zetb*( c1*e_0_1_0 &
20381 +c3*e_1_1_0&
20382
20383 )
20384 e_2_2_0 = zeta*( c1*e_1_1_0 &
20385
20386
20387 )
20388 e_2_1_1 = zetb*( c1*e_1_1_0 &
20389
20390
20391 )
20392 e_0_2_1 = zetb*( &
20393 +c3*e_0_2_0&
20394 +2*e_1_2_0 &
20395 )
20396 e_1_2_1 = zetb*( c1*e_0_2_0 &
20397 +c3*e_1_2_0&
20398 +4*e_2_2_0 &
20399 )
20400 e_2_2_1 = zetb*( c1*e_1_2_0 &
20401 +c3*e_2_2_0&
20402
20403 )
20404 e_3_2_1 = zetb*( c1*e_2_2_0 &
20405
20406
20407 )
20408 e_0_1_1 = zeta*( &
20409 +c2*e_0_0_1&
20410 +2*e_1_0_1 &
20411 )
20412 e_0_0_2 = zetb*( &
20413 +c3*e_0_0_1&
20414 +2*e_1_0_1 &
20415 -2*e_0_0_0)
20416 e_1_1_1 = zeta*( c1*e_0_0_1 &
20417 +c2*e_1_0_1&
20418
20419 )
20420 e_1_0_2 = zetb*( c1*e_0_0_1 &
20421 +c3*e_1_0_1&
20422
20423 )
20424 e_2_1_1 = zeta*( c1*e_1_0_1 &
20425
20426
20427 )
20428 e_2_0_2 = zetb*( c1*e_1_0_1 &
20429
20430
20431 )
20432 e_0_2_1 = zeta*( &
20433 +c2*e_0_1_1&
20434 +2*e_1_1_1 &
20435 -2*e_0_0_1)
20436 e_0_1_2 = zetb*( &
20437 +c3*e_0_1_1&
20438 +2*e_1_1_1 &
20439 -2*e_0_1_0)
20440 e_1_2_1 = zeta*( c1*e_0_1_1 &
20441 +c2*e_1_1_1&
20442 +4*e_2_1_1 &
20443 -2*e_1_0_1)
20444 e_1_1_2 = zetb*( c1*e_0_1_1 &
20445 +c3*e_1_1_1&
20446 +4*e_2_1_1 &
20447 -2*e_1_1_0)
20448 e_2_2_1 = zeta*( c1*e_1_1_1 &
20449 +c2*e_2_1_1&
20450
20451 )
20452 e_2_1_2 = zetb*( c1*e_1_1_1 &
20453 +c3*e_2_1_1&
20454
20455 )
20456 e_3_2_1 = zeta*( c1*e_2_1_1 &
20457
20458
20459 )
20460 e_3_1_2 = zetb*( c1*e_2_1_1 &
20461
20462
20463 )
20464 e_0_2_2 = zetb*( &
20465 +c3*e_0_2_1&
20466 +2*e_1_2_1 &
20467 -2*e_0_2_0)
20468 e_1_2_2 = zetb*( c1*e_0_2_1 &
20469 +c3*e_1_2_1&
20470 +4*e_2_2_1 &
20471 -2*e_1_2_0)
20472 e_2_2_2 = zetb*( c1*e_1_2_1 &
20473 +c3*e_2_2_1&
20474 +6*e_3_2_1 &
20475 -2*e_2_2_0)
20476 e_3_2_2 = zetb*( c1*e_2_2_1 &
20477 +c3*e_3_2_1&
20478
20479 )
20480 e_4_2_2 = zetb*( c1*e_3_2_1 &
20481
20482
20483 )
20484 e_0_1_2 = zeta*( &
20485 +c2*e_0_0_2&
20486 +2*e_1_0_2 &
20487 )
20488 e_0_0_3 = zetb*( &
20489 +c3*e_0_0_2&
20490 +2*e_1_0_2 &
20491 -4*e_0_0_1)
20492 e_1_1_2 = zeta*( c1*e_0_0_2 &
20493 +c2*e_1_0_2&
20494 +4*e_2_0_2 &
20495 )
20496 e_1_0_3 = zetb*( c1*e_0_0_2 &
20497 +c3*e_1_0_2&
20498 +4*e_2_0_2 &
20499 -4*e_1_0_1)
20500 e_2_1_2 = zeta*( c1*e_1_0_2 &
20501 +c2*e_2_0_2&
20502
20503 )
20504 e_2_0_3 = zetb*( c1*e_1_0_2 &
20505 +c3*e_2_0_2&
20506
20507 )
20508 e_3_1_2 = zeta*( c1*e_2_0_2 &
20509
20510
20511 )
20512 e_3_0_3 = zetb*( c1*e_2_0_2 &
20513
20514
20515 )
20516 e_0_2_2 = zeta*( &
20517 +c2*e_0_1_2&
20518 +2*e_1_1_2 &
20519 -2*e_0_0_2)
20520 e_0_1_3 = zetb*( &
20521 +c3*e_0_1_2&
20522 +2*e_1_1_2 &
20523 -4*e_0_1_1)
20524 e_1_2_2 = zeta*( c1*e_0_1_2 &
20525 +c2*e_1_1_2&
20526 +4*e_2_1_2 &
20527 -2*e_1_0_2)
20528 e_1_1_3 = zetb*( c1*e_0_1_2 &
20529 +c3*e_1_1_2&
20530 +4*e_2_1_2 &
20531 -4*e_1_1_1)
20532 e_2_2_2 = zeta*( c1*e_1_1_2 &
20533 +c2*e_2_1_2&
20534 +6*e_3_1_2 &
20535 -2*e_2_0_2)
20536 e_2_1_3 = zetb*( c1*e_1_1_2 &
20537 +c3*e_2_1_2&
20538 +6*e_3_1_2 &
20539 -4*e_2_1_1)
20540 e_3_2_2 = zeta*( c1*e_2_1_2 &
20541 +c2*e_3_1_2&
20542
20543 )
20544 e_3_1_3 = zetb*( c1*e_2_1_2 &
20545 +c3*e_3_1_2&
20546
20547 )
20548 e_4_2_2 = zeta*( c1*e_3_1_2 &
20549
20550
20551 )
20552 e_4_1_3 = zetb*( c1*e_3_1_2 &
20553
20554
20555 )
20556 e_0_2_3 = zetb*( &
20557 +c3*e_0_2_2&
20558 +2*e_1_2_2 &
20559 -4*e_0_2_1)
20560 e_1_2_3 = zetb*( c1*e_0_2_2 &
20561 +c3*e_1_2_2&
20562 +4*e_2_2_2 &
20563 -4*e_1_2_1)
20564 e_2_2_3 = zetb*( c1*e_1_2_2 &
20565 +c3*e_2_2_2&
20566 +6*e_3_2_2 &
20567 -4*e_2_2_1)
20568 e_3_2_3 = zetb*( c1*e_2_2_2 &
20569 +c3*e_3_2_2&
20570 +8*e_4_2_2 &
20571 -4*e_3_2_1)
20572 e_4_2_3 = zetb*( c1*e_3_2_2 &
20573 +c3*e_4_2_2&
20574
20575 )
20576 e_5_2_3 = zetb*( c1*e_4_2_2 &
20577
20578
20579 )
20580 e_0_1_3 = zeta*( &
20581 +c2*e_0_0_3&
20582 +2*e_1_0_3 &
20583 )
20584 e_1_1_3 = zeta*( c1*e_0_0_3 &
20585 +c2*e_1_0_3&
20586 +4*e_2_0_3 &
20587 )
20588 e_2_1_3 = zeta*( c1*e_1_0_3 &
20589 +c2*e_2_0_3&
20590 +6*e_3_0_3 &
20591 )
20592 e_3_1_3 = zeta*( c1*e_2_0_3 &
20593 +c2*e_3_0_3&
20594
20595 )
20596 e_4_1_3 = zeta*( c1*e_3_0_3 &
20597
20598
20599 )
20600 e_0_2_3 = zeta*( &
20601 +c2*e_0_1_3&
20602 +2*e_1_1_3 &
20603 -2*e_0_0_3)
20604 e_1_2_3 = zeta*( c1*e_0_1_3 &
20605 +c2*e_1_1_3&
20606 +4*e_2_1_3 &
20607 -2*e_1_0_3)
20608 e_2_2_3 = zeta*( c1*e_1_1_3 &
20609 +c2*e_2_1_3&
20610 +6*e_3_1_3 &
20611 -2*e_2_0_3)
20612 e_3_2_3 = zeta*( c1*e_2_1_3 &
20613 +c2*e_3_1_3&
20614 +8*e_4_1_3 &
20615 -2*e_3_0_3)
20616 e_4_2_3 = zeta*( c1*e_3_1_3 &
20617 +c2*e_4_1_3&
20618
20619 )
20620 e_5_2_3 = zeta*( c1*e_4_1_3 &
20621
20622
20623 )
20624
20625 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
20626 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
20627 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
20628 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
20629 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
20630 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20631 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
20632 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
20633 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
20634 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
20635 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20636 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
20637 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
20638 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20639 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20640 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
20641 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
20642 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20643 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
20644 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
20645 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20646 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20647 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
20648 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
20649 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20650 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20651 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20652 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
20653 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
20654 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20655 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20656 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
20657 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
20658 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20659 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20660 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20661 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
20662 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
20663 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20664 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20665 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20666 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20667 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
20668 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
20669 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
20670 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
20671 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
20672 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20673 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
20674 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
20675 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
20676 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
20677 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20678 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
20679 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
20680 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20681 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20682 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
20683 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
20684 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20685 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
20686 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
20687 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20688 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20689 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
20690 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
20691 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20692 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20693 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20694 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
20695 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
20696 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20697 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20698 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
20699 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
20700 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20701 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20702 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20703 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
20704 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
20705 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20706 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20707 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20708 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20709 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
20710 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
20711 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
20712 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20713 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
20714 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20715 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
20716 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
20717 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20718 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
20719 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20720 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20721 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20722 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20723 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20724 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20725 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
20726 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20727 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20728 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20729 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20730 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20731 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20732 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20733 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20734 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20735 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20736 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20737 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20738 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20739 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20740 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20741 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20742 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20743 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20744 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20745 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20746 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20747 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20748 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20749 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20750 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20751 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
20752 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
20753 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
20754 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20755 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
20756 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
20757 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
20758 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
20759 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20760 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
20761 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
20762 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20763 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20764 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
20765 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
20766 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20767 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
20768 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
20769 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20770 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20771 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
20772 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
20773 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20774 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20775 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20776 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
20777 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
20778 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20779 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20780 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
20781 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
20782 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20783 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20784 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20785 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
20786 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
20787 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20788 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20789 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20790 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20791 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
20792 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
20793 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
20794 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
20795 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
20796 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20797 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
20798 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
20799 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
20800 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
20801 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20802 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
20803 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
20804 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20805 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20806 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
20807 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
20808 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20809 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
20810 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
20811 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20812 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20813 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
20814 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
20815 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20816 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20817 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20818 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
20819 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
20820 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20821 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20822 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
20823 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
20824 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20825 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20826 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20827 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
20828 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
20829 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20830 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20831 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20832 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20833 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
20834 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
20835 r1 = r1 + dr
20836 END DO
20837
20838 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
20839 END SUBROUTINE
20840 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_0_exp_0 ( &
20841 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
20842 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
20843 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
20844 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
20845 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
20846 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
20847 r_pow_t, r_tmp, rr1_delta, rr2_delta
20848
20849 REAL(kind=dp) :: c1, c2, c3
20850 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
20851 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
20852 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
20853 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
20854 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
20855 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
20856 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
20857 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
20858 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
20859 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
20860
20861
20862 dr = lgth
20863 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
20864
20865 s_r(:, :, :) = 0.0_dp
20866
20867 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
20868
20869 h_to_c_0_0 = sqrt(alpha/pi)
20870
20871 h_to_c_0_1 = 0.0_dp
20872 h_to_c_1_1 = +2*alpha*h_to_c_0_0
20873 h_to_c_0_2 = -1*h_to_c_1_1
20874 h_to_c_1_2 = +2*alpha*h_to_c_0_1
20875 h_to_c_2_2 = +2*alpha*h_to_c_1_1
20876 h_to_c_0_3 = -1*h_to_c_1_2
20877 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
20878 h_to_c_2_3 = +2*alpha*h_to_c_1_2
20879 h_to_c_3_3 = +2*alpha*h_to_c_2_2
20880 h_to_c_0_4 = -1*h_to_c_1_3
20881 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
20882 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
20883 h_to_c_3_4 = +2*alpha*h_to_c_2_3
20884 h_to_c_4_4 = +2*alpha*h_to_c_3_3
20885 h_to_c_0_5 = -1*h_to_c_1_4
20886 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
20887 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
20888 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
20889 h_to_c_4_5 = +2*alpha*h_to_c_3_4
20890 h_to_c_5_5 = +2*alpha*h_to_c_4_4
20891 h_to_c_0_6 = -1*h_to_c_1_5
20892 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
20893 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
20894 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
20895 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
20896 h_to_c_5_6 = +2*alpha*h_to_c_4_5
20897 h_to_c_6_6 = +2*alpha*h_to_c_5_5
20898
20899
20900 rr1_delta = (ra - rb)/dr
20901
20902 rr1_l = ceiling(-r_c(1) + rr1_delta)
20903 rr1_r = floor(r_c(1) + rr1_delta)
20904
20905 r1 = rr1_l*dr
20906
20907 alpha_e = zeta*zetb/(zeta + zetb)
20908
20909 DO rr1 = rr1_l, rr1_r
20910 s_r_t_0 = 0.0_dp
20911 s_r_t2_0 = 0.0_dp
20912 s_r_t_1 = 0.0_dp
20913 s_r_t2_1 = 0.0_dp
20914 s_r_t_2 = 0.0_dp
20915 s_r_t2_2 = 0.0_dp
20916 s_r_t_3 = 0.0_dp
20917 s_r_t2_3 = 0.0_dp
20918 s_r_t_4 = 0.0_dp
20919 s_r_t2_4 = 0.0_dp
20920 s_r_t_5 = 0.0_dp
20921 s_r_t2_5 = 0.0_dp
20922 s_r_t_6 = 0.0_dp
20923 s_r_t2_6 = 0.0_dp
20924 r_tmp = r_offset + r1*zeta/(zeta + zetb)
20925 rr2_delta = -r_tmp/dr
20926
20927 rr2_l = ceiling(-r_c(2) + rr2_delta)
20928 rr2_r = floor(r_c(2) + rr2_delta)
20929
20930 r = r_tmp + (rr2_l)*dr
20931
20932
20933 DO rr2 = rr2_l, rr2_r
20934 r_pow_t = 1.0_dp
20935 exp2_rsq = exp(-alpha*r*r)
20936 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
20937 r_pow_t = r_pow_t*r
20938 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
20939 r_pow_t = r_pow_t*r
20940 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
20941 r_pow_t = r_pow_t*r
20942 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
20943 r_pow_t = r_pow_t*r
20944 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
20945 r_pow_t = r_pow_t*r
20946 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
20947 r_pow_t = r_pow_t*r
20948 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
20949
20950 r = r + dr
20951 END DO
20952
20953 ! C --> H
20954 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
20955 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
20956 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
20957 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
20958 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
20959 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
20960 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
20961 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
20962 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
20963 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
20964 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
20965 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
20966 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
20967 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
20968 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
20969 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
20970 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
20971 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
20972 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
20973 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
20974 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
20975 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
20976 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
20977 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
20978 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
20979 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
20980 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
20981 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
20982
20983 ! H --> HH
20984 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
20985
20986 c1 = 1.0_dp/(zeta + zetb)
20987 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
20988 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
20989
20990 e_0_1_0 = zeta*( &
20991 +c2*e_0_0_0&
20992
20993 )
20994 e_0_0_1 = zetb*( &
20995 +c3*e_0_0_0&
20996
20997 )
20998 e_1_1_0 = zeta*( c1*e_0_0_0 &
20999
21000
21001 )
21002 e_1_0_1 = zetb*( c1*e_0_0_0 &
21003
21004
21005 )
21006 e_0_2_0 = zeta*( &
21007 +c2*e_0_1_0&
21008 +2*e_1_1_0 &
21009 -2*e_0_0_0)
21010 e_0_1_1 = zetb*( &
21011 +c3*e_0_1_0&
21012 +2*e_1_1_0 &
21013 )
21014 e_1_2_0 = zeta*( c1*e_0_1_0 &
21015 +c2*e_1_1_0&
21016
21017 )
21018 e_1_1_1 = zetb*( c1*e_0_1_0 &
21019 +c3*e_1_1_0&
21020
21021 )
21022 e_2_2_0 = zeta*( c1*e_1_1_0 &
21023
21024
21025 )
21026 e_2_1_1 = zetb*( c1*e_1_1_0 &
21027
21028
21029 )
21030 e_0_2_1 = zetb*( &
21031 +c3*e_0_2_0&
21032 +2*e_1_2_0 &
21033 )
21034 e_1_2_1 = zetb*( c1*e_0_2_0 &
21035 +c3*e_1_2_0&
21036 +4*e_2_2_0 &
21037 )
21038 e_2_2_1 = zetb*( c1*e_1_2_0 &
21039 +c3*e_2_2_0&
21040
21041 )
21042 e_3_2_1 = zetb*( c1*e_2_2_0 &
21043
21044
21045 )
21046 e_0_1_1 = zeta*( &
21047 +c2*e_0_0_1&
21048 +2*e_1_0_1 &
21049 )
21050 e_0_0_2 = zetb*( &
21051 +c3*e_0_0_1&
21052 +2*e_1_0_1 &
21053 -2*e_0_0_0)
21054 e_1_1_1 = zeta*( c1*e_0_0_1 &
21055 +c2*e_1_0_1&
21056
21057 )
21058 e_1_0_2 = zetb*( c1*e_0_0_1 &
21059 +c3*e_1_0_1&
21060
21061 )
21062 e_2_1_1 = zeta*( c1*e_1_0_1 &
21063
21064
21065 )
21066 e_2_0_2 = zetb*( c1*e_1_0_1 &
21067
21068
21069 )
21070 e_0_2_1 = zeta*( &
21071 +c2*e_0_1_1&
21072 +2*e_1_1_1 &
21073 -2*e_0_0_1)
21074 e_0_1_2 = zetb*( &
21075 +c3*e_0_1_1&
21076 +2*e_1_1_1 &
21077 -2*e_0_1_0)
21078 e_1_2_1 = zeta*( c1*e_0_1_1 &
21079 +c2*e_1_1_1&
21080 +4*e_2_1_1 &
21081 -2*e_1_0_1)
21082 e_1_1_2 = zetb*( c1*e_0_1_1 &
21083 +c3*e_1_1_1&
21084 +4*e_2_1_1 &
21085 -2*e_1_1_0)
21086 e_2_2_1 = zeta*( c1*e_1_1_1 &
21087 +c2*e_2_1_1&
21088
21089 )
21090 e_2_1_2 = zetb*( c1*e_1_1_1 &
21091 +c3*e_2_1_1&
21092
21093 )
21094 e_3_2_1 = zeta*( c1*e_2_1_1 &
21095
21096
21097 )
21098 e_3_1_2 = zetb*( c1*e_2_1_1 &
21099
21100
21101 )
21102 e_0_2_2 = zetb*( &
21103 +c3*e_0_2_1&
21104 +2*e_1_2_1 &
21105 -2*e_0_2_0)
21106 e_1_2_2 = zetb*( c1*e_0_2_1 &
21107 +c3*e_1_2_1&
21108 +4*e_2_2_1 &
21109 -2*e_1_2_0)
21110 e_2_2_2 = zetb*( c1*e_1_2_1 &
21111 +c3*e_2_2_1&
21112 +6*e_3_2_1 &
21113 -2*e_2_2_0)
21114 e_3_2_2 = zetb*( c1*e_2_2_1 &
21115 +c3*e_3_2_1&
21116
21117 )
21118 e_4_2_2 = zetb*( c1*e_3_2_1 &
21119
21120
21121 )
21122 e_0_1_2 = zeta*( &
21123 +c2*e_0_0_2&
21124 +2*e_1_0_2 &
21125 )
21126 e_0_0_3 = zetb*( &
21127 +c3*e_0_0_2&
21128 +2*e_1_0_2 &
21129 -4*e_0_0_1)
21130 e_1_1_2 = zeta*( c1*e_0_0_2 &
21131 +c2*e_1_0_2&
21132 +4*e_2_0_2 &
21133 )
21134 e_1_0_3 = zetb*( c1*e_0_0_2 &
21135 +c3*e_1_0_2&
21136 +4*e_2_0_2 &
21137 -4*e_1_0_1)
21138 e_2_1_2 = zeta*( c1*e_1_0_2 &
21139 +c2*e_2_0_2&
21140
21141 )
21142 e_2_0_3 = zetb*( c1*e_1_0_2 &
21143 +c3*e_2_0_2&
21144
21145 )
21146 e_3_1_2 = zeta*( c1*e_2_0_2 &
21147
21148
21149 )
21150 e_3_0_3 = zetb*( c1*e_2_0_2 &
21151
21152
21153 )
21154 e_0_2_2 = zeta*( &
21155 +c2*e_0_1_2&
21156 +2*e_1_1_2 &
21157 -2*e_0_0_2)
21158 e_0_1_3 = zetb*( &
21159 +c3*e_0_1_2&
21160 +2*e_1_1_2 &
21161 -4*e_0_1_1)
21162 e_1_2_2 = zeta*( c1*e_0_1_2 &
21163 +c2*e_1_1_2&
21164 +4*e_2_1_2 &
21165 -2*e_1_0_2)
21166 e_1_1_3 = zetb*( c1*e_0_1_2 &
21167 +c3*e_1_1_2&
21168 +4*e_2_1_2 &
21169 -4*e_1_1_1)
21170 e_2_2_2 = zeta*( c1*e_1_1_2 &
21171 +c2*e_2_1_2&
21172 +6*e_3_1_2 &
21173 -2*e_2_0_2)
21174 e_2_1_3 = zetb*( c1*e_1_1_2 &
21175 +c3*e_2_1_2&
21176 +6*e_3_1_2 &
21177 -4*e_2_1_1)
21178 e_3_2_2 = zeta*( c1*e_2_1_2 &
21179 +c2*e_3_1_2&
21180
21181 )
21182 e_3_1_3 = zetb*( c1*e_2_1_2 &
21183 +c3*e_3_1_2&
21184
21185 )
21186 e_4_2_2 = zeta*( c1*e_3_1_2 &
21187
21188
21189 )
21190 e_4_1_3 = zetb*( c1*e_3_1_2 &
21191
21192
21193 )
21194 e_0_2_3 = zetb*( &
21195 +c3*e_0_2_2&
21196 +2*e_1_2_2 &
21197 -4*e_0_2_1)
21198 e_1_2_3 = zetb*( c1*e_0_2_2 &
21199 +c3*e_1_2_2&
21200 +4*e_2_2_2 &
21201 -4*e_1_2_1)
21202 e_2_2_3 = zetb*( c1*e_1_2_2 &
21203 +c3*e_2_2_2&
21204 +6*e_3_2_2 &
21205 -4*e_2_2_1)
21206 e_3_2_3 = zetb*( c1*e_2_2_2 &
21207 +c3*e_3_2_2&
21208 +8*e_4_2_2 &
21209 -4*e_3_2_1)
21210 e_4_2_3 = zetb*( c1*e_3_2_2 &
21211 +c3*e_4_2_2&
21212
21213 )
21214 e_5_2_3 = zetb*( c1*e_4_2_2 &
21215
21216
21217 )
21218 e_0_1_3 = zeta*( &
21219 +c2*e_0_0_3&
21220 +2*e_1_0_3 &
21221 )
21222 e_0_0_4 = zetb*( &
21223 +c3*e_0_0_3&
21224 +2*e_1_0_3 &
21225 -6*e_0_0_2)
21226 e_1_1_3 = zeta*( c1*e_0_0_3 &
21227 +c2*e_1_0_3&
21228 +4*e_2_0_3 &
21229 )
21230 e_1_0_4 = zetb*( c1*e_0_0_3 &
21231 +c3*e_1_0_3&
21232 +4*e_2_0_3 &
21233 -6*e_1_0_2)
21234 e_2_1_3 = zeta*( c1*e_1_0_3 &
21235 +c2*e_2_0_3&
21236 +6*e_3_0_3 &
21237 )
21238 e_2_0_4 = zetb*( c1*e_1_0_3 &
21239 +c3*e_2_0_3&
21240 +6*e_3_0_3 &
21241 -6*e_2_0_2)
21242 e_3_1_3 = zeta*( c1*e_2_0_3 &
21243 +c2*e_3_0_3&
21244
21245 )
21246 e_3_0_4 = zetb*( c1*e_2_0_3 &
21247 +c3*e_3_0_3&
21248
21249 )
21250 e_4_1_3 = zeta*( c1*e_3_0_3 &
21251
21252
21253 )
21254 e_4_0_4 = zetb*( c1*e_3_0_3 &
21255
21256
21257 )
21258 e_0_2_3 = zeta*( &
21259 +c2*e_0_1_3&
21260 +2*e_1_1_3 &
21261 -2*e_0_0_3)
21262 e_0_1_4 = zetb*( &
21263 +c3*e_0_1_3&
21264 +2*e_1_1_3 &
21265 -6*e_0_1_2)
21266 e_1_2_3 = zeta*( c1*e_0_1_3 &
21267 +c2*e_1_1_3&
21268 +4*e_2_1_3 &
21269 -2*e_1_0_3)
21270 e_1_1_4 = zetb*( c1*e_0_1_3 &
21271 +c3*e_1_1_3&
21272 +4*e_2_1_3 &
21273 -6*e_1_1_2)
21274 e_2_2_3 = zeta*( c1*e_1_1_3 &
21275 +c2*e_2_1_3&
21276 +6*e_3_1_3 &
21277 -2*e_2_0_3)
21278 e_2_1_4 = zetb*( c1*e_1_1_3 &
21279 +c3*e_2_1_3&
21280 +6*e_3_1_3 &
21281 -6*e_2_1_2)
21282 e_3_2_3 = zeta*( c1*e_2_1_3 &
21283 +c2*e_3_1_3&
21284 +8*e_4_1_3 &
21285 -2*e_3_0_3)
21286 e_3_1_4 = zetb*( c1*e_2_1_3 &
21287 +c3*e_3_1_3&
21288 +8*e_4_1_3 &
21289 -6*e_3_1_2)
21290 e_4_2_3 = zeta*( c1*e_3_1_3 &
21291 +c2*e_4_1_3&
21292
21293 )
21294 e_4_1_4 = zetb*( c1*e_3_1_3 &
21295 +c3*e_4_1_3&
21296
21297 )
21298 e_5_2_3 = zeta*( c1*e_4_1_3 &
21299
21300
21301 )
21302 e_5_1_4 = zetb*( c1*e_4_1_3 &
21303
21304
21305 )
21306 e_0_2_4 = zetb*( &
21307 +c3*e_0_2_3&
21308 +2*e_1_2_3 &
21309 -6*e_0_2_2)
21310 e_1_2_4 = zetb*( c1*e_0_2_3 &
21311 +c3*e_1_2_3&
21312 +4*e_2_2_3 &
21313 -6*e_1_2_2)
21314 e_2_2_4 = zetb*( c1*e_1_2_3 &
21315 +c3*e_2_2_3&
21316 +6*e_3_2_3 &
21317 -6*e_2_2_2)
21318 e_3_2_4 = zetb*( c1*e_2_2_3 &
21319 +c3*e_3_2_3&
21320 +8*e_4_2_3 &
21321 -6*e_3_2_2)
21322 e_4_2_4 = zetb*( c1*e_3_2_3 &
21323 +c3*e_4_2_3&
21324 +10*e_5_2_3 &
21325 -6*e_4_2_2)
21326 e_5_2_4 = zetb*( c1*e_4_2_3 &
21327 +c3*e_5_2_3&
21328
21329 )
21330 e_6_2_4 = zetb*( c1*e_5_2_3 &
21331
21332
21333 )
21334 e_0_1_4 = zeta*( &
21335 +c2*e_0_0_4&
21336 +2*e_1_0_4 &
21337 )
21338 e_1_1_4 = zeta*( c1*e_0_0_4 &
21339 +c2*e_1_0_4&
21340 +4*e_2_0_4 &
21341 )
21342 e_2_1_4 = zeta*( c1*e_1_0_4 &
21343 +c2*e_2_0_4&
21344 +6*e_3_0_4 &
21345 )
21346 e_3_1_4 = zeta*( c1*e_2_0_4 &
21347 +c2*e_3_0_4&
21348 +8*e_4_0_4 &
21349 )
21350 e_4_1_4 = zeta*( c1*e_3_0_4 &
21351 +c2*e_4_0_4&
21352
21353 )
21354 e_5_1_4 = zeta*( c1*e_4_0_4 &
21355
21356
21357 )
21358 e_0_2_4 = zeta*( &
21359 +c2*e_0_1_4&
21360 +2*e_1_1_4 &
21361 -2*e_0_0_4)
21362 e_1_2_4 = zeta*( c1*e_0_1_4 &
21363 +c2*e_1_1_4&
21364 +4*e_2_1_4 &
21365 -2*e_1_0_4)
21366 e_2_2_4 = zeta*( c1*e_1_1_4 &
21367 +c2*e_2_1_4&
21368 +6*e_3_1_4 &
21369 -2*e_2_0_4)
21370 e_3_2_4 = zeta*( c1*e_2_1_4 &
21371 +c2*e_3_1_4&
21372 +8*e_4_1_4 &
21373 -2*e_3_0_4)
21374 e_4_2_4 = zeta*( c1*e_3_1_4 &
21375 +c2*e_4_1_4&
21376 +10*e_5_1_4 &
21377 -2*e_4_0_4)
21378 e_5_2_4 = zeta*( c1*e_4_1_4 &
21379 +c2*e_5_1_4&
21380
21381 )
21382 e_6_2_4 = zeta*( c1*e_5_1_4 &
21383
21384
21385 )
21386
21387 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
21388 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
21389 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
21390 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
21391 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
21392 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
21393 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
21394 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
21395 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
21396 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
21397 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
21398 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
21399 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
21400 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
21401 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
21402 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
21403 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
21404 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
21405 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
21406 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
21407 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
21408 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
21409 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
21410 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
21411 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
21412 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
21413 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
21414 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
21415 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
21416 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
21417 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
21418 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
21419 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
21420 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
21421 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
21422 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
21423 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
21424 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
21425 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
21426 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
21427 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
21428 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
21429 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
21430 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
21431 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
21432 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
21433 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
21434 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
21435 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
21436 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
21437 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
21438 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
21439 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
21440 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
21441 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
21442 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
21443 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
21444 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
21445 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
21446 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
21447 r1 = r1 + dr
21448 END DO
21449
21450 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
21451 END SUBROUTINE
21452 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_1_exp_0 ( &
21453 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
21454 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
21455 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
21456 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
21457 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
21458 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
21459 r_pow_t, r_tmp, rr1_delta, rr2_delta
21460
21461 REAL(kind=dp) :: c1, c2, c3
21462 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
21463 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
21464 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
21465 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
21466 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
21467 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
21468 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
21469 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
21470 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
21471 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
21472 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
21473
21474
21475 dr = lgth
21476 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
21477
21478 s_r(:, :, :) = 0.0_dp
21479
21480 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
21481
21482 h_to_c_0_0 = sqrt(alpha/pi)
21483
21484 h_to_c_0_1 = 0.0_dp
21485 h_to_c_1_1 = +2*alpha*h_to_c_0_0
21486 h_to_c_0_2 = -1*h_to_c_1_1
21487 h_to_c_1_2 = +2*alpha*h_to_c_0_1
21488 h_to_c_2_2 = +2*alpha*h_to_c_1_1
21489 h_to_c_0_3 = -1*h_to_c_1_2
21490 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
21491 h_to_c_2_3 = +2*alpha*h_to_c_1_2
21492 h_to_c_3_3 = +2*alpha*h_to_c_2_2
21493 h_to_c_0_4 = -1*h_to_c_1_3
21494 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
21495 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
21496 h_to_c_3_4 = +2*alpha*h_to_c_2_3
21497 h_to_c_4_4 = +2*alpha*h_to_c_3_3
21498 h_to_c_0_5 = -1*h_to_c_1_4
21499 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
21500 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
21501 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
21502 h_to_c_4_5 = +2*alpha*h_to_c_3_4
21503 h_to_c_5_5 = +2*alpha*h_to_c_4_4
21504 h_to_c_0_6 = -1*h_to_c_1_5
21505 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
21506 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
21507 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
21508 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
21509 h_to_c_5_6 = +2*alpha*h_to_c_4_5
21510 h_to_c_6_6 = +2*alpha*h_to_c_5_5
21511 h_to_c_0_7 = -1*h_to_c_1_6
21512 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
21513 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
21514 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
21515 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
21516 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
21517 h_to_c_6_7 = +2*alpha*h_to_c_5_6
21518 h_to_c_7_7 = +2*alpha*h_to_c_6_6
21519
21520
21521 rr1_delta = (ra - rb)/dr
21522
21523 rr1_l = ceiling(-r_c(1) + rr1_delta)
21524 rr1_r = floor(r_c(1) + rr1_delta)
21525
21526 r1 = rr1_l*dr
21527
21528 alpha_e = zeta*zetb/(zeta + zetb)
21529
21530 DO rr1 = rr1_l, rr1_r
21531 s_r_t_0 = 0.0_dp
21532 s_r_t2_0 = 0.0_dp
21533 s_r_t_1 = 0.0_dp
21534 s_r_t2_1 = 0.0_dp
21535 s_r_t_2 = 0.0_dp
21536 s_r_t2_2 = 0.0_dp
21537 s_r_t_3 = 0.0_dp
21538 s_r_t2_3 = 0.0_dp
21539 s_r_t_4 = 0.0_dp
21540 s_r_t2_4 = 0.0_dp
21541 s_r_t_5 = 0.0_dp
21542 s_r_t2_5 = 0.0_dp
21543 s_r_t_6 = 0.0_dp
21544 s_r_t2_6 = 0.0_dp
21545 s_r_t_7 = 0.0_dp
21546 s_r_t2_7 = 0.0_dp
21547 r_tmp = r_offset + r1*zeta/(zeta + zetb)
21548 rr2_delta = -r_tmp/dr
21549
21550 rr2_l = ceiling(-r_c(2) + rr2_delta)
21551 rr2_r = floor(r_c(2) + rr2_delta)
21552
21553 r = r_tmp + (rr2_l)*dr
21554
21555
21556 DO rr2 = rr2_l, rr2_r
21557 r_pow_t = 1.0_dp
21558 exp2_rsq = exp(-alpha*r*r)
21559 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
21560 r_pow_t = r_pow_t*r
21561 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
21562 r_pow_t = r_pow_t*r
21563 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
21564 r_pow_t = r_pow_t*r
21565 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
21566 r_pow_t = r_pow_t*r
21567 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
21568 r_pow_t = r_pow_t*r
21569 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
21570 r_pow_t = r_pow_t*r
21571 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
21572 r_pow_t = r_pow_t*r
21573 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
21574
21575 r = r + dr
21576 END DO
21577
21578 ! C --> H
21579 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
21580 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
21581 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
21582 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
21583 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
21584 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
21585 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
21586 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
21587 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
21588 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
21589 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
21590 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
21591 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
21592 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
21593 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
21594 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
21595 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
21596 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
21597 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
21598 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
21599 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
21600 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
21601 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
21602 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
21603 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
21604 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
21605 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
21606 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
21607 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
21608 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
21609 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
21610 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
21611 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
21612 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
21613 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
21614 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
21615
21616 ! H --> HH
21617 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
21618
21619 c1 = 1.0_dp/(zeta + zetb)
21620 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
21621 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
21622
21623 e_0_1_0 = zeta*( &
21624 +c2*e_0_0_0&
21625
21626 )
21627 e_0_0_1 = zetb*( &
21628 +c3*e_0_0_0&
21629
21630 )
21631 e_1_1_0 = zeta*( c1*e_0_0_0 &
21632
21633
21634 )
21635 e_1_0_1 = zetb*( c1*e_0_0_0 &
21636
21637
21638 )
21639 e_0_2_0 = zeta*( &
21640 +c2*e_0_1_0&
21641 +2*e_1_1_0 &
21642 -2*e_0_0_0)
21643 e_0_1_1 = zetb*( &
21644 +c3*e_0_1_0&
21645 +2*e_1_1_0 &
21646 )
21647 e_1_2_0 = zeta*( c1*e_0_1_0 &
21648 +c2*e_1_1_0&
21649
21650 )
21651 e_1_1_1 = zetb*( c1*e_0_1_0 &
21652 +c3*e_1_1_0&
21653
21654 )
21655 e_2_2_0 = zeta*( c1*e_1_1_0 &
21656
21657
21658 )
21659 e_2_1_1 = zetb*( c1*e_1_1_0 &
21660
21661
21662 )
21663 e_0_2_1 = zetb*( &
21664 +c3*e_0_2_0&
21665 +2*e_1_2_0 &
21666 )
21667 e_1_2_1 = zetb*( c1*e_0_2_0 &
21668 +c3*e_1_2_0&
21669 +4*e_2_2_0 &
21670 )
21671 e_2_2_1 = zetb*( c1*e_1_2_0 &
21672 +c3*e_2_2_0&
21673
21674 )
21675 e_3_2_1 = zetb*( c1*e_2_2_0 &
21676
21677
21678 )
21679 e_0_1_1 = zeta*( &
21680 +c2*e_0_0_1&
21681 +2*e_1_0_1 &
21682 )
21683 e_0_0_2 = zetb*( &
21684 +c3*e_0_0_1&
21685 +2*e_1_0_1 &
21686 -2*e_0_0_0)
21687 e_1_1_1 = zeta*( c1*e_0_0_1 &
21688 +c2*e_1_0_1&
21689
21690 )
21691 e_1_0_2 = zetb*( c1*e_0_0_1 &
21692 +c3*e_1_0_1&
21693
21694 )
21695 e_2_1_1 = zeta*( c1*e_1_0_1 &
21696
21697
21698 )
21699 e_2_0_2 = zetb*( c1*e_1_0_1 &
21700
21701
21702 )
21703 e_0_2_1 = zeta*( &
21704 +c2*e_0_1_1&
21705 +2*e_1_1_1 &
21706 -2*e_0_0_1)
21707 e_0_1_2 = zetb*( &
21708 +c3*e_0_1_1&
21709 +2*e_1_1_1 &
21710 -2*e_0_1_0)
21711 e_1_2_1 = zeta*( c1*e_0_1_1 &
21712 +c2*e_1_1_1&
21713 +4*e_2_1_1 &
21714 -2*e_1_0_1)
21715 e_1_1_2 = zetb*( c1*e_0_1_1 &
21716 +c3*e_1_1_1&
21717 +4*e_2_1_1 &
21718 -2*e_1_1_0)
21719 e_2_2_1 = zeta*( c1*e_1_1_1 &
21720 +c2*e_2_1_1&
21721
21722 )
21723 e_2_1_2 = zetb*( c1*e_1_1_1 &
21724 +c3*e_2_1_1&
21725
21726 )
21727 e_3_2_1 = zeta*( c1*e_2_1_1 &
21728
21729
21730 )
21731 e_3_1_2 = zetb*( c1*e_2_1_1 &
21732
21733
21734 )
21735 e_0_2_2 = zetb*( &
21736 +c3*e_0_2_1&
21737 +2*e_1_2_1 &
21738 -2*e_0_2_0)
21739 e_1_2_2 = zetb*( c1*e_0_2_1 &
21740 +c3*e_1_2_1&
21741 +4*e_2_2_1 &
21742 -2*e_1_2_0)
21743 e_2_2_2 = zetb*( c1*e_1_2_1 &
21744 +c3*e_2_2_1&
21745 +6*e_3_2_1 &
21746 -2*e_2_2_0)
21747 e_3_2_2 = zetb*( c1*e_2_2_1 &
21748 +c3*e_3_2_1&
21749
21750 )
21751 e_4_2_2 = zetb*( c1*e_3_2_1 &
21752
21753
21754 )
21755 e_0_1_2 = zeta*( &
21756 +c2*e_0_0_2&
21757 +2*e_1_0_2 &
21758 )
21759 e_0_0_3 = zetb*( &
21760 +c3*e_0_0_2&
21761 +2*e_1_0_2 &
21762 -4*e_0_0_1)
21763 e_1_1_2 = zeta*( c1*e_0_0_2 &
21764 +c2*e_1_0_2&
21765 +4*e_2_0_2 &
21766 )
21767 e_1_0_3 = zetb*( c1*e_0_0_2 &
21768 +c3*e_1_0_2&
21769 +4*e_2_0_2 &
21770 -4*e_1_0_1)
21771 e_2_1_2 = zeta*( c1*e_1_0_2 &
21772 +c2*e_2_0_2&
21773
21774 )
21775 e_2_0_3 = zetb*( c1*e_1_0_2 &
21776 +c3*e_2_0_2&
21777
21778 )
21779 e_3_1_2 = zeta*( c1*e_2_0_2 &
21780
21781
21782 )
21783 e_3_0_3 = zetb*( c1*e_2_0_2 &
21784
21785
21786 )
21787 e_0_2_2 = zeta*( &
21788 +c2*e_0_1_2&
21789 +2*e_1_1_2 &
21790 -2*e_0_0_2)
21791 e_0_1_3 = zetb*( &
21792 +c3*e_0_1_2&
21793 +2*e_1_1_2 &
21794 -4*e_0_1_1)
21795 e_1_2_2 = zeta*( c1*e_0_1_2 &
21796 +c2*e_1_1_2&
21797 +4*e_2_1_2 &
21798 -2*e_1_0_2)
21799 e_1_1_3 = zetb*( c1*e_0_1_2 &
21800 +c3*e_1_1_2&
21801 +4*e_2_1_2 &
21802 -4*e_1_1_1)
21803 e_2_2_2 = zeta*( c1*e_1_1_2 &
21804 +c2*e_2_1_2&
21805 +6*e_3_1_2 &
21806 -2*e_2_0_2)
21807 e_2_1_3 = zetb*( c1*e_1_1_2 &
21808 +c3*e_2_1_2&
21809 +6*e_3_1_2 &
21810 -4*e_2_1_1)
21811 e_3_2_2 = zeta*( c1*e_2_1_2 &
21812 +c2*e_3_1_2&
21813
21814 )
21815 e_3_1_3 = zetb*( c1*e_2_1_2 &
21816 +c3*e_3_1_2&
21817
21818 )
21819 e_4_2_2 = zeta*( c1*e_3_1_2 &
21820
21821
21822 )
21823 e_4_1_3 = zetb*( c1*e_3_1_2 &
21824
21825
21826 )
21827 e_0_2_3 = zetb*( &
21828 +c3*e_0_2_2&
21829 +2*e_1_2_2 &
21830 -4*e_0_2_1)
21831 e_1_2_3 = zetb*( c1*e_0_2_2 &
21832 +c3*e_1_2_2&
21833 +4*e_2_2_2 &
21834 -4*e_1_2_1)
21835 e_2_2_3 = zetb*( c1*e_1_2_2 &
21836 +c3*e_2_2_2&
21837 +6*e_3_2_2 &
21838 -4*e_2_2_1)
21839 e_3_2_3 = zetb*( c1*e_2_2_2 &
21840 +c3*e_3_2_2&
21841 +8*e_4_2_2 &
21842 -4*e_3_2_1)
21843 e_4_2_3 = zetb*( c1*e_3_2_2 &
21844 +c3*e_4_2_2&
21845
21846 )
21847 e_5_2_3 = zetb*( c1*e_4_2_2 &
21848
21849
21850 )
21851 e_0_1_3 = zeta*( &
21852 +c2*e_0_0_3&
21853 +2*e_1_0_3 &
21854 )
21855 e_0_0_4 = zetb*( &
21856 +c3*e_0_0_3&
21857 +2*e_1_0_3 &
21858 -6*e_0_0_2)
21859 e_1_1_3 = zeta*( c1*e_0_0_3 &
21860 +c2*e_1_0_3&
21861 +4*e_2_0_3 &
21862 )
21863 e_1_0_4 = zetb*( c1*e_0_0_3 &
21864 +c3*e_1_0_3&
21865 +4*e_2_0_3 &
21866 -6*e_1_0_2)
21867 e_2_1_3 = zeta*( c1*e_1_0_3 &
21868 +c2*e_2_0_3&
21869 +6*e_3_0_3 &
21870 )
21871 e_2_0_4 = zetb*( c1*e_1_0_3 &
21872 +c3*e_2_0_3&
21873 +6*e_3_0_3 &
21874 -6*e_2_0_2)
21875 e_3_1_3 = zeta*( c1*e_2_0_3 &
21876 +c2*e_3_0_3&
21877
21878 )
21879 e_3_0_4 = zetb*( c1*e_2_0_3 &
21880 +c3*e_3_0_3&
21881
21882 )
21883 e_4_1_3 = zeta*( c1*e_3_0_3 &
21884
21885
21886 )
21887 e_4_0_4 = zetb*( c1*e_3_0_3 &
21888
21889
21890 )
21891 e_0_2_3 = zeta*( &
21892 +c2*e_0_1_3&
21893 +2*e_1_1_3 &
21894 -2*e_0_0_3)
21895 e_0_1_4 = zetb*( &
21896 +c3*e_0_1_3&
21897 +2*e_1_1_3 &
21898 -6*e_0_1_2)
21899 e_1_2_3 = zeta*( c1*e_0_1_3 &
21900 +c2*e_1_1_3&
21901 +4*e_2_1_3 &
21902 -2*e_1_0_3)
21903 e_1_1_4 = zetb*( c1*e_0_1_3 &
21904 +c3*e_1_1_3&
21905 +4*e_2_1_3 &
21906 -6*e_1_1_2)
21907 e_2_2_3 = zeta*( c1*e_1_1_3 &
21908 +c2*e_2_1_3&
21909 +6*e_3_1_3 &
21910 -2*e_2_0_3)
21911 e_2_1_4 = zetb*( c1*e_1_1_3 &
21912 +c3*e_2_1_3&
21913 +6*e_3_1_3 &
21914 -6*e_2_1_2)
21915 e_3_2_3 = zeta*( c1*e_2_1_3 &
21916 +c2*e_3_1_3&
21917 +8*e_4_1_3 &
21918 -2*e_3_0_3)
21919 e_3_1_4 = zetb*( c1*e_2_1_3 &
21920 +c3*e_3_1_3&
21921 +8*e_4_1_3 &
21922 -6*e_3_1_2)
21923 e_4_2_3 = zeta*( c1*e_3_1_3 &
21924 +c2*e_4_1_3&
21925
21926 )
21927 e_4_1_4 = zetb*( c1*e_3_1_3 &
21928 +c3*e_4_1_3&
21929
21930 )
21931 e_5_2_3 = zeta*( c1*e_4_1_3 &
21932
21933
21934 )
21935 e_5_1_4 = zetb*( c1*e_4_1_3 &
21936
21937
21938 )
21939 e_0_2_4 = zetb*( &
21940 +c3*e_0_2_3&
21941 +2*e_1_2_3 &
21942 -6*e_0_2_2)
21943 e_1_2_4 = zetb*( c1*e_0_2_3 &
21944 +c3*e_1_2_3&
21945 +4*e_2_2_3 &
21946 -6*e_1_2_2)
21947 e_2_2_4 = zetb*( c1*e_1_2_3 &
21948 +c3*e_2_2_3&
21949 +6*e_3_2_3 &
21950 -6*e_2_2_2)
21951 e_3_2_4 = zetb*( c1*e_2_2_3 &
21952 +c3*e_3_2_3&
21953 +8*e_4_2_3 &
21954 -6*e_3_2_2)
21955 e_4_2_4 = zetb*( c1*e_3_2_3 &
21956 +c3*e_4_2_3&
21957 +10*e_5_2_3 &
21958 -6*e_4_2_2)
21959 e_5_2_4 = zetb*( c1*e_4_2_3 &
21960 +c3*e_5_2_3&
21961
21962 )
21963 e_6_2_4 = zetb*( c1*e_5_2_3 &
21964
21965
21966 )
21967 e_0_1_4 = zeta*( &
21968 +c2*e_0_0_4&
21969 +2*e_1_0_4 &
21970 )
21971 e_1_1_4 = zeta*( c1*e_0_0_4 &
21972 +c2*e_1_0_4&
21973 +4*e_2_0_4 &
21974 )
21975 e_2_1_4 = zeta*( c1*e_1_0_4 &
21976 +c2*e_2_0_4&
21977 +6*e_3_0_4 &
21978 )
21979 e_3_1_4 = zeta*( c1*e_2_0_4 &
21980 +c2*e_3_0_4&
21981 +8*e_4_0_4 &
21982 )
21983 e_4_1_4 = zeta*( c1*e_3_0_4 &
21984 +c2*e_4_0_4&
21985
21986 )
21987 e_5_1_4 = zeta*( c1*e_4_0_4 &
21988
21989
21990 )
21991 e_0_2_4 = zeta*( &
21992 +c2*e_0_1_4&
21993 +2*e_1_1_4 &
21994 -2*e_0_0_4)
21995 e_1_2_4 = zeta*( c1*e_0_1_4 &
21996 +c2*e_1_1_4&
21997 +4*e_2_1_4 &
21998 -2*e_1_0_4)
21999 e_2_2_4 = zeta*( c1*e_1_1_4 &
22000 +c2*e_2_1_4&
22001 +6*e_3_1_4 &
22002 -2*e_2_0_4)
22003 e_3_2_4 = zeta*( c1*e_2_1_4 &
22004 +c2*e_3_1_4&
22005 +8*e_4_1_4 &
22006 -2*e_3_0_4)
22007 e_4_2_4 = zeta*( c1*e_3_1_4 &
22008 +c2*e_4_1_4&
22009 +10*e_5_1_4 &
22010 -2*e_4_0_4)
22011 e_5_2_4 = zeta*( c1*e_4_1_4 &
22012 +c2*e_5_1_4&
22013
22014 )
22015 e_6_2_4 = zeta*( c1*e_5_1_4 &
22016
22017
22018 )
22019
22020 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
22021 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
22022 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
22023 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
22024 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
22025 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22026 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
22027 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
22028 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
22029 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
22030 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22031 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
22032 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
22033 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22034 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22035 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
22036 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
22037 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22038 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
22039 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
22040 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22041 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22042 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
22043 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
22044 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22045 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22046 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22047 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
22048 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
22049 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22050 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22051 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
22052 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
22053 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22054 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22055 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22056 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
22057 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
22058 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22059 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22060 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22061 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22062 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
22063 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
22064 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22065 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22066 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22067 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
22068 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
22069 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22070 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22071 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22072 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22073 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
22074 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
22075 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22076 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22077 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22078 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22079 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22080 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
22081 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
22082 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
22083 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
22084 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
22085 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
22086 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
22087 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
22088 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
22089 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
22090 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
22091 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
22092 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
22093 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
22094 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
22095 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
22096 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
22097 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
22098 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
22099 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
22100 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
22101 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
22102 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
22103 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
22104 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
22105 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
22106 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
22107 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
22108 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
22109 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
22110 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
22111 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
22112 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
22113 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
22114 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
22115 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
22116 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
22117 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
22118 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
22119 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
22120 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
22121 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
22122 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
22123 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
22124 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
22125 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
22126 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
22127 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
22128 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
22129 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
22130 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
22131 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
22132 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
22133 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
22134 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
22135 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
22136 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
22137 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
22138 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
22139 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
22140 r1 = r1 + dr
22141 END DO
22142
22143 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
22144 END SUBROUTINE
22145 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_2_exp_0 ( &
22146 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
22147 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
22148 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
22149 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
22150 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
22151 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
22152 r_pow_t, r_tmp, rr1_delta, rr2_delta
22153
22154 REAL(kind=dp) :: c1, c2, c3
22155 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
22156 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
22157 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
22158 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
22159 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
22160 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
22161 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
22162 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
22163 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
22164 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
22165 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
22166 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
22167
22168
22169 dr = lgth
22170 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
22171
22172 s_r(:, :, :) = 0.0_dp
22173
22174 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
22175
22176 h_to_c_0_0 = sqrt(alpha/pi)
22177
22178 h_to_c_0_1 = 0.0_dp
22179 h_to_c_1_1 = +2*alpha*h_to_c_0_0
22180 h_to_c_0_2 = -1*h_to_c_1_1
22181 h_to_c_1_2 = +2*alpha*h_to_c_0_1
22182 h_to_c_2_2 = +2*alpha*h_to_c_1_1
22183 h_to_c_0_3 = -1*h_to_c_1_2
22184 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
22185 h_to_c_2_3 = +2*alpha*h_to_c_1_2
22186 h_to_c_3_3 = +2*alpha*h_to_c_2_2
22187 h_to_c_0_4 = -1*h_to_c_1_3
22188 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
22189 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
22190 h_to_c_3_4 = +2*alpha*h_to_c_2_3
22191 h_to_c_4_4 = +2*alpha*h_to_c_3_3
22192 h_to_c_0_5 = -1*h_to_c_1_4
22193 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
22194 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
22195 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
22196 h_to_c_4_5 = +2*alpha*h_to_c_3_4
22197 h_to_c_5_5 = +2*alpha*h_to_c_4_4
22198 h_to_c_0_6 = -1*h_to_c_1_5
22199 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
22200 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
22201 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
22202 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
22203 h_to_c_5_6 = +2*alpha*h_to_c_4_5
22204 h_to_c_6_6 = +2*alpha*h_to_c_5_5
22205 h_to_c_0_7 = -1*h_to_c_1_6
22206 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
22207 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
22208 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
22209 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
22210 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
22211 h_to_c_6_7 = +2*alpha*h_to_c_5_6
22212 h_to_c_7_7 = +2*alpha*h_to_c_6_6
22213 h_to_c_0_8 = -1*h_to_c_1_7
22214 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
22215 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
22216 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
22217 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
22218 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
22219 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
22220 h_to_c_7_8 = +2*alpha*h_to_c_6_7
22221 h_to_c_8_8 = +2*alpha*h_to_c_7_7
22222
22223
22224 rr1_delta = (ra - rb)/dr
22225
22226 rr1_l = ceiling(-r_c(1) + rr1_delta)
22227 rr1_r = floor(r_c(1) + rr1_delta)
22228
22229 r1 = rr1_l*dr
22230
22231 alpha_e = zeta*zetb/(zeta + zetb)
22232
22233 DO rr1 = rr1_l, rr1_r
22234 s_r_t_0 = 0.0_dp
22235 s_r_t2_0 = 0.0_dp
22236 s_r_t_1 = 0.0_dp
22237 s_r_t2_1 = 0.0_dp
22238 s_r_t_2 = 0.0_dp
22239 s_r_t2_2 = 0.0_dp
22240 s_r_t_3 = 0.0_dp
22241 s_r_t2_3 = 0.0_dp
22242 s_r_t_4 = 0.0_dp
22243 s_r_t2_4 = 0.0_dp
22244 s_r_t_5 = 0.0_dp
22245 s_r_t2_5 = 0.0_dp
22246 s_r_t_6 = 0.0_dp
22247 s_r_t2_6 = 0.0_dp
22248 s_r_t_7 = 0.0_dp
22249 s_r_t2_7 = 0.0_dp
22250 s_r_t_8 = 0.0_dp
22251 s_r_t2_8 = 0.0_dp
22252 r_tmp = r_offset + r1*zeta/(zeta + zetb)
22253 rr2_delta = -r_tmp/dr
22254
22255 rr2_l = ceiling(-r_c(2) + rr2_delta)
22256 rr2_r = floor(r_c(2) + rr2_delta)
22257
22258 r = r_tmp + (rr2_l)*dr
22259
22260
22261 DO rr2 = rr2_l, rr2_r
22262 r_pow_t = 1.0_dp
22263 exp2_rsq = exp(-alpha*r*r)
22264 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
22265 r_pow_t = r_pow_t*r
22266 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
22267 r_pow_t = r_pow_t*r
22268 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
22269 r_pow_t = r_pow_t*r
22270 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
22271 r_pow_t = r_pow_t*r
22272 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
22273 r_pow_t = r_pow_t*r
22274 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
22275 r_pow_t = r_pow_t*r
22276 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
22277 r_pow_t = r_pow_t*r
22278 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
22279 r_pow_t = r_pow_t*r
22280 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
22281
22282 r = r + dr
22283 END DO
22284
22285 ! C --> H
22286 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
22287 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
22288 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
22289 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
22290 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
22291 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
22292 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
22293 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
22294 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
22295 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
22296 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
22297 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
22298 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
22299 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
22300 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
22301 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
22302 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
22303 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
22304 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
22305 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
22306 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
22307 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
22308 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
22309 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
22310 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
22311 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
22312 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
22313 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
22314 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
22315 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
22316 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
22317 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
22318 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
22319 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
22320 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
22321 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
22322 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
22323 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
22324 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
22325 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
22326 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
22327 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
22328 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
22329 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
22330 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
22331
22332 ! H --> HH
22333 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
22334
22335 c1 = 1.0_dp/(zeta + zetb)
22336 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
22337 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
22338
22339 e_0_1_0 = zeta*( &
22340 +c2*e_0_0_0&
22341
22342 )
22343 e_0_0_1 = zetb*( &
22344 +c3*e_0_0_0&
22345
22346 )
22347 e_1_1_0 = zeta*( c1*e_0_0_0 &
22348
22349
22350 )
22351 e_1_0_1 = zetb*( c1*e_0_0_0 &
22352
22353
22354 )
22355 e_0_2_0 = zeta*( &
22356 +c2*e_0_1_0&
22357 +2*e_1_1_0 &
22358 -2*e_0_0_0)
22359 e_0_1_1 = zetb*( &
22360 +c3*e_0_1_0&
22361 +2*e_1_1_0 &
22362 )
22363 e_1_2_0 = zeta*( c1*e_0_1_0 &
22364 +c2*e_1_1_0&
22365
22366 )
22367 e_1_1_1 = zetb*( c1*e_0_1_0 &
22368 +c3*e_1_1_0&
22369
22370 )
22371 e_2_2_0 = zeta*( c1*e_1_1_0 &
22372
22373
22374 )
22375 e_2_1_1 = zetb*( c1*e_1_1_0 &
22376
22377
22378 )
22379 e_0_2_1 = zetb*( &
22380 +c3*e_0_2_0&
22381 +2*e_1_2_0 &
22382 )
22383 e_1_2_1 = zetb*( c1*e_0_2_0 &
22384 +c3*e_1_2_0&
22385 +4*e_2_2_0 &
22386 )
22387 e_2_2_1 = zetb*( c1*e_1_2_0 &
22388 +c3*e_2_2_0&
22389
22390 )
22391 e_3_2_1 = zetb*( c1*e_2_2_0 &
22392
22393
22394 )
22395 e_0_1_1 = zeta*( &
22396 +c2*e_0_0_1&
22397 +2*e_1_0_1 &
22398 )
22399 e_0_0_2 = zetb*( &
22400 +c3*e_0_0_1&
22401 +2*e_1_0_1 &
22402 -2*e_0_0_0)
22403 e_1_1_1 = zeta*( c1*e_0_0_1 &
22404 +c2*e_1_0_1&
22405
22406 )
22407 e_1_0_2 = zetb*( c1*e_0_0_1 &
22408 +c3*e_1_0_1&
22409
22410 )
22411 e_2_1_1 = zeta*( c1*e_1_0_1 &
22412
22413
22414 )
22415 e_2_0_2 = zetb*( c1*e_1_0_1 &
22416
22417
22418 )
22419 e_0_2_1 = zeta*( &
22420 +c2*e_0_1_1&
22421 +2*e_1_1_1 &
22422 -2*e_0_0_1)
22423 e_0_1_2 = zetb*( &
22424 +c3*e_0_1_1&
22425 +2*e_1_1_1 &
22426 -2*e_0_1_0)
22427 e_1_2_1 = zeta*( c1*e_0_1_1 &
22428 +c2*e_1_1_1&
22429 +4*e_2_1_1 &
22430 -2*e_1_0_1)
22431 e_1_1_2 = zetb*( c1*e_0_1_1 &
22432 +c3*e_1_1_1&
22433 +4*e_2_1_1 &
22434 -2*e_1_1_0)
22435 e_2_2_1 = zeta*( c1*e_1_1_1 &
22436 +c2*e_2_1_1&
22437
22438 )
22439 e_2_1_2 = zetb*( c1*e_1_1_1 &
22440 +c3*e_2_1_1&
22441
22442 )
22443 e_3_2_1 = zeta*( c1*e_2_1_1 &
22444
22445
22446 )
22447 e_3_1_2 = zetb*( c1*e_2_1_1 &
22448
22449
22450 )
22451 e_0_2_2 = zetb*( &
22452 +c3*e_0_2_1&
22453 +2*e_1_2_1 &
22454 -2*e_0_2_0)
22455 e_1_2_2 = zetb*( c1*e_0_2_1 &
22456 +c3*e_1_2_1&
22457 +4*e_2_2_1 &
22458 -2*e_1_2_0)
22459 e_2_2_2 = zetb*( c1*e_1_2_1 &
22460 +c3*e_2_2_1&
22461 +6*e_3_2_1 &
22462 -2*e_2_2_0)
22463 e_3_2_2 = zetb*( c1*e_2_2_1 &
22464 +c3*e_3_2_1&
22465
22466 )
22467 e_4_2_2 = zetb*( c1*e_3_2_1 &
22468
22469
22470 )
22471 e_0_1_2 = zeta*( &
22472 +c2*e_0_0_2&
22473 +2*e_1_0_2 &
22474 )
22475 e_0_0_3 = zetb*( &
22476 +c3*e_0_0_2&
22477 +2*e_1_0_2 &
22478 -4*e_0_0_1)
22479 e_1_1_2 = zeta*( c1*e_0_0_2 &
22480 +c2*e_1_0_2&
22481 +4*e_2_0_2 &
22482 )
22483 e_1_0_3 = zetb*( c1*e_0_0_2 &
22484 +c3*e_1_0_2&
22485 +4*e_2_0_2 &
22486 -4*e_1_0_1)
22487 e_2_1_2 = zeta*( c1*e_1_0_2 &
22488 +c2*e_2_0_2&
22489
22490 )
22491 e_2_0_3 = zetb*( c1*e_1_0_2 &
22492 +c3*e_2_0_2&
22493
22494 )
22495 e_3_1_2 = zeta*( c1*e_2_0_2 &
22496
22497
22498 )
22499 e_3_0_3 = zetb*( c1*e_2_0_2 &
22500
22501
22502 )
22503 e_0_2_2 = zeta*( &
22504 +c2*e_0_1_2&
22505 +2*e_1_1_2 &
22506 -2*e_0_0_2)
22507 e_0_1_3 = zetb*( &
22508 +c3*e_0_1_2&
22509 +2*e_1_1_2 &
22510 -4*e_0_1_1)
22511 e_1_2_2 = zeta*( c1*e_0_1_2 &
22512 +c2*e_1_1_2&
22513 +4*e_2_1_2 &
22514 -2*e_1_0_2)
22515 e_1_1_3 = zetb*( c1*e_0_1_2 &
22516 +c3*e_1_1_2&
22517 +4*e_2_1_2 &
22518 -4*e_1_1_1)
22519 e_2_2_2 = zeta*( c1*e_1_1_2 &
22520 +c2*e_2_1_2&
22521 +6*e_3_1_2 &
22522 -2*e_2_0_2)
22523 e_2_1_3 = zetb*( c1*e_1_1_2 &
22524 +c3*e_2_1_2&
22525 +6*e_3_1_2 &
22526 -4*e_2_1_1)
22527 e_3_2_2 = zeta*( c1*e_2_1_2 &
22528 +c2*e_3_1_2&
22529
22530 )
22531 e_3_1_3 = zetb*( c1*e_2_1_2 &
22532 +c3*e_3_1_2&
22533
22534 )
22535 e_4_2_2 = zeta*( c1*e_3_1_2 &
22536
22537
22538 )
22539 e_4_1_3 = zetb*( c1*e_3_1_2 &
22540
22541
22542 )
22543 e_0_2_3 = zetb*( &
22544 +c3*e_0_2_2&
22545 +2*e_1_2_2 &
22546 -4*e_0_2_1)
22547 e_1_2_3 = zetb*( c1*e_0_2_2 &
22548 +c3*e_1_2_2&
22549 +4*e_2_2_2 &
22550 -4*e_1_2_1)
22551 e_2_2_3 = zetb*( c1*e_1_2_2 &
22552 +c3*e_2_2_2&
22553 +6*e_3_2_2 &
22554 -4*e_2_2_1)
22555 e_3_2_3 = zetb*( c1*e_2_2_2 &
22556 +c3*e_3_2_2&
22557 +8*e_4_2_2 &
22558 -4*e_3_2_1)
22559 e_4_2_3 = zetb*( c1*e_3_2_2 &
22560 +c3*e_4_2_2&
22561
22562 )
22563 e_5_2_3 = zetb*( c1*e_4_2_2 &
22564
22565
22566 )
22567 e_0_1_3 = zeta*( &
22568 +c2*e_0_0_3&
22569 +2*e_1_0_3 &
22570 )
22571 e_0_0_4 = zetb*( &
22572 +c3*e_0_0_3&
22573 +2*e_1_0_3 &
22574 -6*e_0_0_2)
22575 e_1_1_3 = zeta*( c1*e_0_0_3 &
22576 +c2*e_1_0_3&
22577 +4*e_2_0_3 &
22578 )
22579 e_1_0_4 = zetb*( c1*e_0_0_3 &
22580 +c3*e_1_0_3&
22581 +4*e_2_0_3 &
22582 -6*e_1_0_2)
22583 e_2_1_3 = zeta*( c1*e_1_0_3 &
22584 +c2*e_2_0_3&
22585 +6*e_3_0_3 &
22586 )
22587 e_2_0_4 = zetb*( c1*e_1_0_3 &
22588 +c3*e_2_0_3&
22589 +6*e_3_0_3 &
22590 -6*e_2_0_2)
22591 e_3_1_3 = zeta*( c1*e_2_0_3 &
22592 +c2*e_3_0_3&
22593
22594 )
22595 e_3_0_4 = zetb*( c1*e_2_0_3 &
22596 +c3*e_3_0_3&
22597
22598 )
22599 e_4_1_3 = zeta*( c1*e_3_0_3 &
22600
22601
22602 )
22603 e_4_0_4 = zetb*( c1*e_3_0_3 &
22604
22605
22606 )
22607 e_0_2_3 = zeta*( &
22608 +c2*e_0_1_3&
22609 +2*e_1_1_3 &
22610 -2*e_0_0_3)
22611 e_0_1_4 = zetb*( &
22612 +c3*e_0_1_3&
22613 +2*e_1_1_3 &
22614 -6*e_0_1_2)
22615 e_1_2_3 = zeta*( c1*e_0_1_3 &
22616 +c2*e_1_1_3&
22617 +4*e_2_1_3 &
22618 -2*e_1_0_3)
22619 e_1_1_4 = zetb*( c1*e_0_1_3 &
22620 +c3*e_1_1_3&
22621 +4*e_2_1_3 &
22622 -6*e_1_1_2)
22623 e_2_2_3 = zeta*( c1*e_1_1_3 &
22624 +c2*e_2_1_3&
22625 +6*e_3_1_3 &
22626 -2*e_2_0_3)
22627 e_2_1_4 = zetb*( c1*e_1_1_3 &
22628 +c3*e_2_1_3&
22629 +6*e_3_1_3 &
22630 -6*e_2_1_2)
22631 e_3_2_3 = zeta*( c1*e_2_1_3 &
22632 +c2*e_3_1_3&
22633 +8*e_4_1_3 &
22634 -2*e_3_0_3)
22635 e_3_1_4 = zetb*( c1*e_2_1_3 &
22636 +c3*e_3_1_3&
22637 +8*e_4_1_3 &
22638 -6*e_3_1_2)
22639 e_4_2_3 = zeta*( c1*e_3_1_3 &
22640 +c2*e_4_1_3&
22641
22642 )
22643 e_4_1_4 = zetb*( c1*e_3_1_3 &
22644 +c3*e_4_1_3&
22645
22646 )
22647 e_5_2_3 = zeta*( c1*e_4_1_3 &
22648
22649
22650 )
22651 e_5_1_4 = zetb*( c1*e_4_1_3 &
22652
22653
22654 )
22655 e_0_2_4 = zetb*( &
22656 +c3*e_0_2_3&
22657 +2*e_1_2_3 &
22658 -6*e_0_2_2)
22659 e_1_2_4 = zetb*( c1*e_0_2_3 &
22660 +c3*e_1_2_3&
22661 +4*e_2_2_3 &
22662 -6*e_1_2_2)
22663 e_2_2_4 = zetb*( c1*e_1_2_3 &
22664 +c3*e_2_2_3&
22665 +6*e_3_2_3 &
22666 -6*e_2_2_2)
22667 e_3_2_4 = zetb*( c1*e_2_2_3 &
22668 +c3*e_3_2_3&
22669 +8*e_4_2_3 &
22670 -6*e_3_2_2)
22671 e_4_2_4 = zetb*( c1*e_3_2_3 &
22672 +c3*e_4_2_3&
22673 +10*e_5_2_3 &
22674 -6*e_4_2_2)
22675 e_5_2_4 = zetb*( c1*e_4_2_3 &
22676 +c3*e_5_2_3&
22677
22678 )
22679 e_6_2_4 = zetb*( c1*e_5_2_3 &
22680
22681
22682 )
22683 e_0_1_4 = zeta*( &
22684 +c2*e_0_0_4&
22685 +2*e_1_0_4 &
22686 )
22687 e_1_1_4 = zeta*( c1*e_0_0_4 &
22688 +c2*e_1_0_4&
22689 +4*e_2_0_4 &
22690 )
22691 e_2_1_4 = zeta*( c1*e_1_0_4 &
22692 +c2*e_2_0_4&
22693 +6*e_3_0_4 &
22694 )
22695 e_3_1_4 = zeta*( c1*e_2_0_4 &
22696 +c2*e_3_0_4&
22697 +8*e_4_0_4 &
22698 )
22699 e_4_1_4 = zeta*( c1*e_3_0_4 &
22700 +c2*e_4_0_4&
22701
22702 )
22703 e_5_1_4 = zeta*( c1*e_4_0_4 &
22704
22705
22706 )
22707 e_0_2_4 = zeta*( &
22708 +c2*e_0_1_4&
22709 +2*e_1_1_4 &
22710 -2*e_0_0_4)
22711 e_1_2_4 = zeta*( c1*e_0_1_4 &
22712 +c2*e_1_1_4&
22713 +4*e_2_1_4 &
22714 -2*e_1_0_4)
22715 e_2_2_4 = zeta*( c1*e_1_1_4 &
22716 +c2*e_2_1_4&
22717 +6*e_3_1_4 &
22718 -2*e_2_0_4)
22719 e_3_2_4 = zeta*( c1*e_2_1_4 &
22720 +c2*e_3_1_4&
22721 +8*e_4_1_4 &
22722 -2*e_3_0_4)
22723 e_4_2_4 = zeta*( c1*e_3_1_4 &
22724 +c2*e_4_1_4&
22725 +10*e_5_1_4 &
22726 -2*e_4_0_4)
22727 e_5_2_4 = zeta*( c1*e_4_1_4 &
22728 +c2*e_5_1_4&
22729
22730 )
22731 e_6_2_4 = zeta*( c1*e_5_1_4 &
22732
22733
22734 )
22735
22736 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
22737 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
22738 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
22739 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
22740 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
22741 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22742 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
22743 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
22744 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
22745 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
22746 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22747 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
22748 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
22749 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22750 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22751 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
22752 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
22753 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22754 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
22755 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
22756 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22757 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22758 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
22759 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
22760 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22761 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22762 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22763 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
22764 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
22765 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22766 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22767 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
22768 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
22769 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22770 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22771 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22772 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
22773 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
22774 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22775 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22776 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22777 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22778 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
22779 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
22780 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22781 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22782 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22783 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
22784 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
22785 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22786 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22787 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22788 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22789 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
22790 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
22791 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22792 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22793 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22794 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22795 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22796 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
22797 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
22798 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
22799 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
22800 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
22801 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
22802 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
22803 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
22804 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
22805 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
22806 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
22807 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
22808 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
22809 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
22810 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
22811 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
22812 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
22813 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
22814 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
22815 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
22816 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
22817 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
22818 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
22819 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
22820 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
22821 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
22822 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
22823 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
22824 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
22825 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
22826 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
22827 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
22828 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
22829 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
22830 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
22831 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
22832 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
22833 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
22834 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
22835 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
22836 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
22837 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
22838 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
22839 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
22840 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
22841 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
22842 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
22843 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
22844 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
22845 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
22846 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
22847 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
22848 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
22849 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
22850 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
22851 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
22852 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
22853 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
22854 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
22855 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
22856 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
22857 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
22858 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
22859 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22860 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
22861 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
22862 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
22863 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
22864 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22865 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
22866 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
22867 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22868 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22869 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
22870 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
22871 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22872 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
22873 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
22874 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22875 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22876 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
22877 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
22878 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22879 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22880 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22881 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
22882 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
22883 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22884 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22885 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
22886 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
22887 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22888 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22889 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22890 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
22891 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
22892 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22893 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22894 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22895 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22896 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
22897 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
22898 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22899 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22900 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22901 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
22902 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
22903 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22904 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22905 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22906 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22907 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
22908 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
22909 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22910 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22911 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22912 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22913 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22914 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
22915 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
22916 r1 = r1 + dr
22917 END DO
22918
22919 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
22920 END SUBROUTINE
22921 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_3_exp_0 ( &
22922 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
22923 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
22924 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
22925 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
22926 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
22927 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
22928 r_pow_t, r_tmp, rr1_delta, rr2_delta
22929
22930 REAL(kind=dp) :: c1, c2, c3
22931 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
22932 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
22933 & s_r_t2_9
22934 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
22935 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
22936 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
22937 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
22938 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
22939 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
22940 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
22941 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
22942 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
22943 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
22944 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
22945
22946
22947 dr = lgth
22948 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
22949
22950 s_r(:, :, :) = 0.0_dp
22951
22952 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
22953
22954 h_to_c_0_0 = sqrt(alpha/pi)
22955
22956 h_to_c_0_1 = 0.0_dp
22957 h_to_c_1_1 = +2*alpha*h_to_c_0_0
22958 h_to_c_0_2 = -1*h_to_c_1_1
22959 h_to_c_1_2 = +2*alpha*h_to_c_0_1
22960 h_to_c_2_2 = +2*alpha*h_to_c_1_1
22961 h_to_c_0_3 = -1*h_to_c_1_2
22962 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
22963 h_to_c_2_3 = +2*alpha*h_to_c_1_2
22964 h_to_c_3_3 = +2*alpha*h_to_c_2_2
22965 h_to_c_0_4 = -1*h_to_c_1_3
22966 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
22967 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
22968 h_to_c_3_4 = +2*alpha*h_to_c_2_3
22969 h_to_c_4_4 = +2*alpha*h_to_c_3_3
22970 h_to_c_0_5 = -1*h_to_c_1_4
22971 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
22972 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
22973 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
22974 h_to_c_4_5 = +2*alpha*h_to_c_3_4
22975 h_to_c_5_5 = +2*alpha*h_to_c_4_4
22976 h_to_c_0_6 = -1*h_to_c_1_5
22977 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
22978 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
22979 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
22980 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
22981 h_to_c_5_6 = +2*alpha*h_to_c_4_5
22982 h_to_c_6_6 = +2*alpha*h_to_c_5_5
22983 h_to_c_0_7 = -1*h_to_c_1_6
22984 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
22985 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
22986 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
22987 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
22988 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
22989 h_to_c_6_7 = +2*alpha*h_to_c_5_6
22990 h_to_c_7_7 = +2*alpha*h_to_c_6_6
22991 h_to_c_0_8 = -1*h_to_c_1_7
22992 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
22993 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
22994 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
22995 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
22996 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
22997 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
22998 h_to_c_7_8 = +2*alpha*h_to_c_6_7
22999 h_to_c_8_8 = +2*alpha*h_to_c_7_7
23000 h_to_c_0_9 = -1*h_to_c_1_8
23001 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
23002 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
23003 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
23004 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
23005 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
23006 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
23007 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
23008 h_to_c_8_9 = +2*alpha*h_to_c_7_8
23009 h_to_c_9_9 = +2*alpha*h_to_c_8_8
23010
23011
23012 rr1_delta = (ra - rb)/dr
23013
23014 rr1_l = ceiling(-r_c(1) + rr1_delta)
23015 rr1_r = floor(r_c(1) + rr1_delta)
23016
23017 r1 = rr1_l*dr
23018
23019 alpha_e = zeta*zetb/(zeta + zetb)
23020
23021 DO rr1 = rr1_l, rr1_r
23022 s_r_t_0 = 0.0_dp
23023 s_r_t2_0 = 0.0_dp
23024 s_r_t_1 = 0.0_dp
23025 s_r_t2_1 = 0.0_dp
23026 s_r_t_2 = 0.0_dp
23027 s_r_t2_2 = 0.0_dp
23028 s_r_t_3 = 0.0_dp
23029 s_r_t2_3 = 0.0_dp
23030 s_r_t_4 = 0.0_dp
23031 s_r_t2_4 = 0.0_dp
23032 s_r_t_5 = 0.0_dp
23033 s_r_t2_5 = 0.0_dp
23034 s_r_t_6 = 0.0_dp
23035 s_r_t2_6 = 0.0_dp
23036 s_r_t_7 = 0.0_dp
23037 s_r_t2_7 = 0.0_dp
23038 s_r_t_8 = 0.0_dp
23039 s_r_t2_8 = 0.0_dp
23040 s_r_t_9 = 0.0_dp
23041 s_r_t2_9 = 0.0_dp
23042 r_tmp = r_offset + r1*zeta/(zeta + zetb)
23043 rr2_delta = -r_tmp/dr
23044
23045 rr2_l = ceiling(-r_c(2) + rr2_delta)
23046 rr2_r = floor(r_c(2) + rr2_delta)
23047
23048 r = r_tmp + (rr2_l)*dr
23049
23050
23051 DO rr2 = rr2_l, rr2_r
23052 r_pow_t = 1.0_dp
23053 exp2_rsq = exp(-alpha*r*r)
23054 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
23055 r_pow_t = r_pow_t*r
23056 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
23057 r_pow_t = r_pow_t*r
23058 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
23059 r_pow_t = r_pow_t*r
23060 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
23061 r_pow_t = r_pow_t*r
23062 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
23063 r_pow_t = r_pow_t*r
23064 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
23065 r_pow_t = r_pow_t*r
23066 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
23067 r_pow_t = r_pow_t*r
23068 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
23069 r_pow_t = r_pow_t*r
23070 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
23071 r_pow_t = r_pow_t*r
23072 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
23073
23074 r = r + dr
23075 END DO
23076
23077 ! C --> H
23078 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
23079 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
23080 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
23081 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
23082 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
23083 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
23084 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
23085 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
23086 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
23087 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
23088 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
23089 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
23090 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
23091 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
23092 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
23093 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
23094 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
23095 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
23096 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
23097 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
23098 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
23099 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
23100 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
23101 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
23102 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
23103 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
23104 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
23105 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
23106 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
23107 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
23108 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
23109 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
23110 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
23111 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
23112 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
23113 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
23114 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
23115 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
23116 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
23117 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
23118 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
23119 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
23120 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
23121 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
23122 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
23123 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
23124 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
23125 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
23126 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
23127 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
23128 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
23129 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
23130 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
23131 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
23132 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
23133
23134 ! H --> HH
23135 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
23136
23137 c1 = 1.0_dp/(zeta + zetb)
23138 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
23139 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
23140
23141 e_0_1_0 = zeta*( &
23142 +c2*e_0_0_0&
23143
23144 )
23145 e_0_0_1 = zetb*( &
23146 +c3*e_0_0_0&
23147
23148 )
23149 e_1_1_0 = zeta*( c1*e_0_0_0 &
23150
23151
23152 )
23153 e_1_0_1 = zetb*( c1*e_0_0_0 &
23154
23155
23156 )
23157 e_0_2_0 = zeta*( &
23158 +c2*e_0_1_0&
23159 +2*e_1_1_0 &
23160 -2*e_0_0_0)
23161 e_0_1_1 = zetb*( &
23162 +c3*e_0_1_0&
23163 +2*e_1_1_0 &
23164 )
23165 e_1_2_0 = zeta*( c1*e_0_1_0 &
23166 +c2*e_1_1_0&
23167
23168 )
23169 e_1_1_1 = zetb*( c1*e_0_1_0 &
23170 +c3*e_1_1_0&
23171
23172 )
23173 e_2_2_0 = zeta*( c1*e_1_1_0 &
23174
23175
23176 )
23177 e_2_1_1 = zetb*( c1*e_1_1_0 &
23178
23179
23180 )
23181 e_0_2_1 = zetb*( &
23182 +c3*e_0_2_0&
23183 +2*e_1_2_0 &
23184 )
23185 e_1_2_1 = zetb*( c1*e_0_2_0 &
23186 +c3*e_1_2_0&
23187 +4*e_2_2_0 &
23188 )
23189 e_2_2_1 = zetb*( c1*e_1_2_0 &
23190 +c3*e_2_2_0&
23191
23192 )
23193 e_3_2_1 = zetb*( c1*e_2_2_0 &
23194
23195
23196 )
23197 e_0_1_1 = zeta*( &
23198 +c2*e_0_0_1&
23199 +2*e_1_0_1 &
23200 )
23201 e_0_0_2 = zetb*( &
23202 +c3*e_0_0_1&
23203 +2*e_1_0_1 &
23204 -2*e_0_0_0)
23205 e_1_1_1 = zeta*( c1*e_0_0_1 &
23206 +c2*e_1_0_1&
23207
23208 )
23209 e_1_0_2 = zetb*( c1*e_0_0_1 &
23210 +c3*e_1_0_1&
23211
23212 )
23213 e_2_1_1 = zeta*( c1*e_1_0_1 &
23214
23215
23216 )
23217 e_2_0_2 = zetb*( c1*e_1_0_1 &
23218
23219
23220 )
23221 e_0_2_1 = zeta*( &
23222 +c2*e_0_1_1&
23223 +2*e_1_1_1 &
23224 -2*e_0_0_1)
23225 e_0_1_2 = zetb*( &
23226 +c3*e_0_1_1&
23227 +2*e_1_1_1 &
23228 -2*e_0_1_0)
23229 e_1_2_1 = zeta*( c1*e_0_1_1 &
23230 +c2*e_1_1_1&
23231 +4*e_2_1_1 &
23232 -2*e_1_0_1)
23233 e_1_1_2 = zetb*( c1*e_0_1_1 &
23234 +c3*e_1_1_1&
23235 +4*e_2_1_1 &
23236 -2*e_1_1_0)
23237 e_2_2_1 = zeta*( c1*e_1_1_1 &
23238 +c2*e_2_1_1&
23239
23240 )
23241 e_2_1_2 = zetb*( c1*e_1_1_1 &
23242 +c3*e_2_1_1&
23243
23244 )
23245 e_3_2_1 = zeta*( c1*e_2_1_1 &
23246
23247
23248 )
23249 e_3_1_2 = zetb*( c1*e_2_1_1 &
23250
23251
23252 )
23253 e_0_2_2 = zetb*( &
23254 +c3*e_0_2_1&
23255 +2*e_1_2_1 &
23256 -2*e_0_2_0)
23257 e_1_2_2 = zetb*( c1*e_0_2_1 &
23258 +c3*e_1_2_1&
23259 +4*e_2_2_1 &
23260 -2*e_1_2_0)
23261 e_2_2_2 = zetb*( c1*e_1_2_1 &
23262 +c3*e_2_2_1&
23263 +6*e_3_2_1 &
23264 -2*e_2_2_0)
23265 e_3_2_2 = zetb*( c1*e_2_2_1 &
23266 +c3*e_3_2_1&
23267
23268 )
23269 e_4_2_2 = zetb*( c1*e_3_2_1 &
23270
23271
23272 )
23273 e_0_1_2 = zeta*( &
23274 +c2*e_0_0_2&
23275 +2*e_1_0_2 &
23276 )
23277 e_0_0_3 = zetb*( &
23278 +c3*e_0_0_2&
23279 +2*e_1_0_2 &
23280 -4*e_0_0_1)
23281 e_1_1_2 = zeta*( c1*e_0_0_2 &
23282 +c2*e_1_0_2&
23283 +4*e_2_0_2 &
23284 )
23285 e_1_0_3 = zetb*( c1*e_0_0_2 &
23286 +c3*e_1_0_2&
23287 +4*e_2_0_2 &
23288 -4*e_1_0_1)
23289 e_2_1_2 = zeta*( c1*e_1_0_2 &
23290 +c2*e_2_0_2&
23291
23292 )
23293 e_2_0_3 = zetb*( c1*e_1_0_2 &
23294 +c3*e_2_0_2&
23295
23296 )
23297 e_3_1_2 = zeta*( c1*e_2_0_2 &
23298
23299
23300 )
23301 e_3_0_3 = zetb*( c1*e_2_0_2 &
23302
23303
23304 )
23305 e_0_2_2 = zeta*( &
23306 +c2*e_0_1_2&
23307 +2*e_1_1_2 &
23308 -2*e_0_0_2)
23309 e_0_1_3 = zetb*( &
23310 +c3*e_0_1_2&
23311 +2*e_1_1_2 &
23312 -4*e_0_1_1)
23313 e_1_2_2 = zeta*( c1*e_0_1_2 &
23314 +c2*e_1_1_2&
23315 +4*e_2_1_2 &
23316 -2*e_1_0_2)
23317 e_1_1_3 = zetb*( c1*e_0_1_2 &
23318 +c3*e_1_1_2&
23319 +4*e_2_1_2 &
23320 -4*e_1_1_1)
23321 e_2_2_2 = zeta*( c1*e_1_1_2 &
23322 +c2*e_2_1_2&
23323 +6*e_3_1_2 &
23324 -2*e_2_0_2)
23325 e_2_1_3 = zetb*( c1*e_1_1_2 &
23326 +c3*e_2_1_2&
23327 +6*e_3_1_2 &
23328 -4*e_2_1_1)
23329 e_3_2_2 = zeta*( c1*e_2_1_2 &
23330 +c2*e_3_1_2&
23331
23332 )
23333 e_3_1_3 = zetb*( c1*e_2_1_2 &
23334 +c3*e_3_1_2&
23335
23336 )
23337 e_4_2_2 = zeta*( c1*e_3_1_2 &
23338
23339
23340 )
23341 e_4_1_3 = zetb*( c1*e_3_1_2 &
23342
23343
23344 )
23345 e_0_2_3 = zetb*( &
23346 +c3*e_0_2_2&
23347 +2*e_1_2_2 &
23348 -4*e_0_2_1)
23349 e_1_2_3 = zetb*( c1*e_0_2_2 &
23350 +c3*e_1_2_2&
23351 +4*e_2_2_2 &
23352 -4*e_1_2_1)
23353 e_2_2_3 = zetb*( c1*e_1_2_2 &
23354 +c3*e_2_2_2&
23355 +6*e_3_2_2 &
23356 -4*e_2_2_1)
23357 e_3_2_3 = zetb*( c1*e_2_2_2 &
23358 +c3*e_3_2_2&
23359 +8*e_4_2_2 &
23360 -4*e_3_2_1)
23361 e_4_2_3 = zetb*( c1*e_3_2_2 &
23362 +c3*e_4_2_2&
23363
23364 )
23365 e_5_2_3 = zetb*( c1*e_4_2_2 &
23366
23367
23368 )
23369 e_0_1_3 = zeta*( &
23370 +c2*e_0_0_3&
23371 +2*e_1_0_3 &
23372 )
23373 e_0_0_4 = zetb*( &
23374 +c3*e_0_0_3&
23375 +2*e_1_0_3 &
23376 -6*e_0_0_2)
23377 e_1_1_3 = zeta*( c1*e_0_0_3 &
23378 +c2*e_1_0_3&
23379 +4*e_2_0_3 &
23380 )
23381 e_1_0_4 = zetb*( c1*e_0_0_3 &
23382 +c3*e_1_0_3&
23383 +4*e_2_0_3 &
23384 -6*e_1_0_2)
23385 e_2_1_3 = zeta*( c1*e_1_0_3 &
23386 +c2*e_2_0_3&
23387 +6*e_3_0_3 &
23388 )
23389 e_2_0_4 = zetb*( c1*e_1_0_3 &
23390 +c3*e_2_0_3&
23391 +6*e_3_0_3 &
23392 -6*e_2_0_2)
23393 e_3_1_3 = zeta*( c1*e_2_0_3 &
23394 +c2*e_3_0_3&
23395
23396 )
23397 e_3_0_4 = zetb*( c1*e_2_0_3 &
23398 +c3*e_3_0_3&
23399
23400 )
23401 e_4_1_3 = zeta*( c1*e_3_0_3 &
23402
23403
23404 )
23405 e_4_0_4 = zetb*( c1*e_3_0_3 &
23406
23407
23408 )
23409 e_0_2_3 = zeta*( &
23410 +c2*e_0_1_3&
23411 +2*e_1_1_3 &
23412 -2*e_0_0_3)
23413 e_0_1_4 = zetb*( &
23414 +c3*e_0_1_3&
23415 +2*e_1_1_3 &
23416 -6*e_0_1_2)
23417 e_1_2_3 = zeta*( c1*e_0_1_3 &
23418 +c2*e_1_1_3&
23419 +4*e_2_1_3 &
23420 -2*e_1_0_3)
23421 e_1_1_4 = zetb*( c1*e_0_1_3 &
23422 +c3*e_1_1_3&
23423 +4*e_2_1_3 &
23424 -6*e_1_1_2)
23425 e_2_2_3 = zeta*( c1*e_1_1_3 &
23426 +c2*e_2_1_3&
23427 +6*e_3_1_3 &
23428 -2*e_2_0_3)
23429 e_2_1_4 = zetb*( c1*e_1_1_3 &
23430 +c3*e_2_1_3&
23431 +6*e_3_1_3 &
23432 -6*e_2_1_2)
23433 e_3_2_3 = zeta*( c1*e_2_1_3 &
23434 +c2*e_3_1_3&
23435 +8*e_4_1_3 &
23436 -2*e_3_0_3)
23437 e_3_1_4 = zetb*( c1*e_2_1_3 &
23438 +c3*e_3_1_3&
23439 +8*e_4_1_3 &
23440 -6*e_3_1_2)
23441 e_4_2_3 = zeta*( c1*e_3_1_3 &
23442 +c2*e_4_1_3&
23443
23444 )
23445 e_4_1_4 = zetb*( c1*e_3_1_3 &
23446 +c3*e_4_1_3&
23447
23448 )
23449 e_5_2_3 = zeta*( c1*e_4_1_3 &
23450
23451
23452 )
23453 e_5_1_4 = zetb*( c1*e_4_1_3 &
23454
23455
23456 )
23457 e_0_2_4 = zetb*( &
23458 +c3*e_0_2_3&
23459 +2*e_1_2_3 &
23460 -6*e_0_2_2)
23461 e_1_2_4 = zetb*( c1*e_0_2_3 &
23462 +c3*e_1_2_3&
23463 +4*e_2_2_3 &
23464 -6*e_1_2_2)
23465 e_2_2_4 = zetb*( c1*e_1_2_3 &
23466 +c3*e_2_2_3&
23467 +6*e_3_2_3 &
23468 -6*e_2_2_2)
23469 e_3_2_4 = zetb*( c1*e_2_2_3 &
23470 +c3*e_3_2_3&
23471 +8*e_4_2_3 &
23472 -6*e_3_2_2)
23473 e_4_2_4 = zetb*( c1*e_3_2_3 &
23474 +c3*e_4_2_3&
23475 +10*e_5_2_3 &
23476 -6*e_4_2_2)
23477 e_5_2_4 = zetb*( c1*e_4_2_3 &
23478 +c3*e_5_2_3&
23479
23480 )
23481 e_6_2_4 = zetb*( c1*e_5_2_3 &
23482
23483
23484 )
23485 e_0_1_4 = zeta*( &
23486 +c2*e_0_0_4&
23487 +2*e_1_0_4 &
23488 )
23489 e_1_1_4 = zeta*( c1*e_0_0_4 &
23490 +c2*e_1_0_4&
23491 +4*e_2_0_4 &
23492 )
23493 e_2_1_4 = zeta*( c1*e_1_0_4 &
23494 +c2*e_2_0_4&
23495 +6*e_3_0_4 &
23496 )
23497 e_3_1_4 = zeta*( c1*e_2_0_4 &
23498 +c2*e_3_0_4&
23499 +8*e_4_0_4 &
23500 )
23501 e_4_1_4 = zeta*( c1*e_3_0_4 &
23502 +c2*e_4_0_4&
23503
23504 )
23505 e_5_1_4 = zeta*( c1*e_4_0_4 &
23506
23507
23508 )
23509 e_0_2_4 = zeta*( &
23510 +c2*e_0_1_4&
23511 +2*e_1_1_4 &
23512 -2*e_0_0_4)
23513 e_1_2_4 = zeta*( c1*e_0_1_4 &
23514 +c2*e_1_1_4&
23515 +4*e_2_1_4 &
23516 -2*e_1_0_4)
23517 e_2_2_4 = zeta*( c1*e_1_1_4 &
23518 +c2*e_2_1_4&
23519 +6*e_3_1_4 &
23520 -2*e_2_0_4)
23521 e_3_2_4 = zeta*( c1*e_2_1_4 &
23522 +c2*e_3_1_4&
23523 +8*e_4_1_4 &
23524 -2*e_3_0_4)
23525 e_4_2_4 = zeta*( c1*e_3_1_4 &
23526 +c2*e_4_1_4&
23527 +10*e_5_1_4 &
23528 -2*e_4_0_4)
23529 e_5_2_4 = zeta*( c1*e_4_1_4 &
23530 +c2*e_5_1_4&
23531
23532 )
23533 e_6_2_4 = zeta*( c1*e_5_1_4 &
23534
23535
23536 )
23537
23538 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
23539 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
23540 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
23541 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
23542 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
23543 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
23544 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
23545 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
23546 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
23547 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
23548 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
23549 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
23550 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
23551 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
23552 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
23553 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
23554 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
23555 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
23556 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
23557 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
23558 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
23559 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
23560 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
23561 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
23562 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
23563 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
23564 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
23565 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
23566 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
23567 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
23568 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
23569 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
23570 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
23571 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
23572 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
23573 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
23574 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
23575 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
23576 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
23577 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
23578 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
23579 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
23580 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
23581 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
23582 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
23583 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
23584 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
23585 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
23586 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
23587 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
23588 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
23589 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
23590 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
23591 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
23592 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
23593 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
23594 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
23595 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
23596 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
23597 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
23598 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
23599 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
23600 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
23601 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
23602 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
23603 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
23604 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
23605 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
23606 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
23607 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
23608 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
23609 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
23610 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
23611 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
23612 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
23613 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
23614 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
23615 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
23616 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
23617 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
23618 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
23619 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
23620 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
23621 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
23622 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
23623 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
23624 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
23625 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
23626 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
23627 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
23628 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
23629 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
23630 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
23631 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
23632 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
23633 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
23634 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
23635 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
23636 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
23637 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
23638 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
23639 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
23640 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
23641 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
23642 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
23643 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
23644 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
23645 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
23646 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
23647 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
23648 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
23649 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
23650 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
23651 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
23652 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
23653 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
23654 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
23655 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
23656 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
23657 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
23658 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
23659 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
23660 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
23661 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
23662 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
23663 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
23664 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
23665 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
23666 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
23667 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
23668 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
23669 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
23670 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
23671 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
23672 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
23673 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
23674 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
23675 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
23676 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
23677 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
23678 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
23679 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
23680 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
23681 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
23682 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
23683 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
23684 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
23685 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
23686 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
23687 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
23688 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
23689 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
23690 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
23691 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
23692 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
23693 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
23694 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
23695 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
23696 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
23697 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
23698 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
23699 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
23700 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
23701 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
23702 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
23703 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
23704 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
23705 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
23706 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
23707 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
23708 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
23709 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
23710 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
23711 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
23712 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
23713 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
23714 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
23715 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
23716 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
23717 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
23718 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
23719 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
23720 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
23721 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
23722 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
23723 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
23724 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
23725 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
23726 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
23727 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
23728 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
23729 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
23730 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
23731 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
23732 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
23733 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
23734 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
23735 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
23736 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
23737 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
23738 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
23739 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
23740 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
23741 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
23742 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
23743 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
23744 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
23745 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
23746 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
23747 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
23748 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
23749 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
23750 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
23751 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
23752 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
23753 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
23754 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
23755 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
23756 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
23757 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
23758 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
23759 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
23760 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
23761 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
23762 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
23763 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
23764 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
23765 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
23766 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
23767 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
23768 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
23769 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
23770 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
23771 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
23772 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
23773 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
23774 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
23775 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
23776 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
23777 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
23778 r1 = r1 + dr
23779 END DO
23780
23781 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
23782 END SUBROUTINE
23783 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_4_exp_0 ( &
23784 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
23785 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
23786 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
23787 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
23788 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
23789 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
23790 r_pow_t, r_tmp, rr1_delta, rr2_delta
23791
23792 REAL(kind=dp) :: c1, c2, c3
23793 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
23794 & s_r_t_10
23795 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
23796 & s_r_t2_9, s_r_t2_10
23797 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
23798 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
23799 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
23800 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
23801 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
23802 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
23803 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
23804 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
23805 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
23806 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
23807 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
23808 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
23809
23810
23811 dr = lgth
23812 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
23813
23814 s_r(:, :, :) = 0.0_dp
23815
23816 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
23817
23818 h_to_c_0_0 = sqrt(alpha/pi)
23819
23820 h_to_c_0_1 = 0.0_dp
23821 h_to_c_1_1 = +2*alpha*h_to_c_0_0
23822 h_to_c_0_2 = -1*h_to_c_1_1
23823 h_to_c_1_2 = +2*alpha*h_to_c_0_1
23824 h_to_c_2_2 = +2*alpha*h_to_c_1_1
23825 h_to_c_0_3 = -1*h_to_c_1_2
23826 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
23827 h_to_c_2_3 = +2*alpha*h_to_c_1_2
23828 h_to_c_3_3 = +2*alpha*h_to_c_2_2
23829 h_to_c_0_4 = -1*h_to_c_1_3
23830 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
23831 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
23832 h_to_c_3_4 = +2*alpha*h_to_c_2_3
23833 h_to_c_4_4 = +2*alpha*h_to_c_3_3
23834 h_to_c_0_5 = -1*h_to_c_1_4
23835 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
23836 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
23837 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
23838 h_to_c_4_5 = +2*alpha*h_to_c_3_4
23839 h_to_c_5_5 = +2*alpha*h_to_c_4_4
23840 h_to_c_0_6 = -1*h_to_c_1_5
23841 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
23842 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
23843 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
23844 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
23845 h_to_c_5_6 = +2*alpha*h_to_c_4_5
23846 h_to_c_6_6 = +2*alpha*h_to_c_5_5
23847 h_to_c_0_7 = -1*h_to_c_1_6
23848 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
23849 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
23850 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
23851 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
23852 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
23853 h_to_c_6_7 = +2*alpha*h_to_c_5_6
23854 h_to_c_7_7 = +2*alpha*h_to_c_6_6
23855 h_to_c_0_8 = -1*h_to_c_1_7
23856 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
23857 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
23858 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
23859 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
23860 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
23861 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
23862 h_to_c_7_8 = +2*alpha*h_to_c_6_7
23863 h_to_c_8_8 = +2*alpha*h_to_c_7_7
23864 h_to_c_0_9 = -1*h_to_c_1_8
23865 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
23866 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
23867 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
23868 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
23869 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
23870 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
23871 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
23872 h_to_c_8_9 = +2*alpha*h_to_c_7_8
23873 h_to_c_9_9 = +2*alpha*h_to_c_8_8
23874 h_to_c_0_10 = -1*h_to_c_1_9
23875 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
23876 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
23877 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
23878 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
23879 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
23880 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
23881 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
23882 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
23883 h_to_c_9_10 = +2*alpha*h_to_c_8_9
23884 h_to_c_10_10 = +2*alpha*h_to_c_9_9
23885
23886
23887 rr1_delta = (ra - rb)/dr
23888
23889 rr1_l = ceiling(-r_c(1) + rr1_delta)
23890 rr1_r = floor(r_c(1) + rr1_delta)
23891
23892 r1 = rr1_l*dr
23893
23894 alpha_e = zeta*zetb/(zeta + zetb)
23895
23896 DO rr1 = rr1_l, rr1_r
23897 s_r_t_0 = 0.0_dp
23898 s_r_t2_0 = 0.0_dp
23899 s_r_t_1 = 0.0_dp
23900 s_r_t2_1 = 0.0_dp
23901 s_r_t_2 = 0.0_dp
23902 s_r_t2_2 = 0.0_dp
23903 s_r_t_3 = 0.0_dp
23904 s_r_t2_3 = 0.0_dp
23905 s_r_t_4 = 0.0_dp
23906 s_r_t2_4 = 0.0_dp
23907 s_r_t_5 = 0.0_dp
23908 s_r_t2_5 = 0.0_dp
23909 s_r_t_6 = 0.0_dp
23910 s_r_t2_6 = 0.0_dp
23911 s_r_t_7 = 0.0_dp
23912 s_r_t2_7 = 0.0_dp
23913 s_r_t_8 = 0.0_dp
23914 s_r_t2_8 = 0.0_dp
23915 s_r_t_9 = 0.0_dp
23916 s_r_t2_9 = 0.0_dp
23917 s_r_t_10 = 0.0_dp
23918 s_r_t2_10 = 0.0_dp
23919 r_tmp = r_offset + r1*zeta/(zeta + zetb)
23920 rr2_delta = -r_tmp/dr
23921
23922 rr2_l = ceiling(-r_c(2) + rr2_delta)
23923 rr2_r = floor(r_c(2) + rr2_delta)
23924
23925 r = r_tmp + (rr2_l)*dr
23926
23927
23928 DO rr2 = rr2_l, rr2_r
23929 r_pow_t = 1.0_dp
23930 exp2_rsq = exp(-alpha*r*r)
23931 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
23932 r_pow_t = r_pow_t*r
23933 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
23934 r_pow_t = r_pow_t*r
23935 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
23936 r_pow_t = r_pow_t*r
23937 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
23938 r_pow_t = r_pow_t*r
23939 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
23940 r_pow_t = r_pow_t*r
23941 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
23942 r_pow_t = r_pow_t*r
23943 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
23944 r_pow_t = r_pow_t*r
23945 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
23946 r_pow_t = r_pow_t*r
23947 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
23948 r_pow_t = r_pow_t*r
23949 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
23950 r_pow_t = r_pow_t*r
23951 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
23952
23953 r = r + dr
23954 END DO
23955
23956 ! C --> H
23957 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
23958 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
23959 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
23960 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
23961 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
23962 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
23963 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
23964 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
23965 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
23966 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
23967 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
23968 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
23969 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
23970 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
23971 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
23972 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
23973 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
23974 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
23975 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
23976 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
23977 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
23978 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
23979 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
23980 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
23981 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
23982 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
23983 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
23984 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
23985 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
23986 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
23987 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
23988 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
23989 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
23990 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
23991 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
23992 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
23993 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
23994 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
23995 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
23996 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
23997 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
23998 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
23999 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
24000 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
24001 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
24002 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
24003 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
24004 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
24005 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
24006 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
24007 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
24008 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
24009 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
24010 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
24011 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
24012 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
24013 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
24014 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
24015 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
24016 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
24017 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
24018 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
24019 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
24020 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
24021 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
24022 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
24023
24024 ! H --> HH
24025 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24026
24027 c1 = 1.0_dp/(zeta + zetb)
24028 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24029 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24030
24031 e_0_1_0 = zeta*( &
24032 +c2*e_0_0_0&
24033
24034 )
24035 e_0_0_1 = zetb*( &
24036 +c3*e_0_0_0&
24037
24038 )
24039 e_1_1_0 = zeta*( c1*e_0_0_0 &
24040
24041
24042 )
24043 e_1_0_1 = zetb*( c1*e_0_0_0 &
24044
24045
24046 )
24047 e_0_2_0 = zeta*( &
24048 +c2*e_0_1_0&
24049 +2*e_1_1_0 &
24050 -2*e_0_0_0)
24051 e_0_1_1 = zetb*( &
24052 +c3*e_0_1_0&
24053 +2*e_1_1_0 &
24054 )
24055 e_1_2_0 = zeta*( c1*e_0_1_0 &
24056 +c2*e_1_1_0&
24057
24058 )
24059 e_1_1_1 = zetb*( c1*e_0_1_0 &
24060 +c3*e_1_1_0&
24061
24062 )
24063 e_2_2_0 = zeta*( c1*e_1_1_0 &
24064
24065
24066 )
24067 e_2_1_1 = zetb*( c1*e_1_1_0 &
24068
24069
24070 )
24071 e_0_2_1 = zetb*( &
24072 +c3*e_0_2_0&
24073 +2*e_1_2_0 &
24074 )
24075 e_1_2_1 = zetb*( c1*e_0_2_0 &
24076 +c3*e_1_2_0&
24077 +4*e_2_2_0 &
24078 )
24079 e_2_2_1 = zetb*( c1*e_1_2_0 &
24080 +c3*e_2_2_0&
24081
24082 )
24083 e_3_2_1 = zetb*( c1*e_2_2_0 &
24084
24085
24086 )
24087 e_0_1_1 = zeta*( &
24088 +c2*e_0_0_1&
24089 +2*e_1_0_1 &
24090 )
24091 e_0_0_2 = zetb*( &
24092 +c3*e_0_0_1&
24093 +2*e_1_0_1 &
24094 -2*e_0_0_0)
24095 e_1_1_1 = zeta*( c1*e_0_0_1 &
24096 +c2*e_1_0_1&
24097
24098 )
24099 e_1_0_2 = zetb*( c1*e_0_0_1 &
24100 +c3*e_1_0_1&
24101
24102 )
24103 e_2_1_1 = zeta*( c1*e_1_0_1 &
24104
24105
24106 )
24107 e_2_0_2 = zetb*( c1*e_1_0_1 &
24108
24109
24110 )
24111 e_0_2_1 = zeta*( &
24112 +c2*e_0_1_1&
24113 +2*e_1_1_1 &
24114 -2*e_0_0_1)
24115 e_0_1_2 = zetb*( &
24116 +c3*e_0_1_1&
24117 +2*e_1_1_1 &
24118 -2*e_0_1_0)
24119 e_1_2_1 = zeta*( c1*e_0_1_1 &
24120 +c2*e_1_1_1&
24121 +4*e_2_1_1 &
24122 -2*e_1_0_1)
24123 e_1_1_2 = zetb*( c1*e_0_1_1 &
24124 +c3*e_1_1_1&
24125 +4*e_2_1_1 &
24126 -2*e_1_1_0)
24127 e_2_2_1 = zeta*( c1*e_1_1_1 &
24128 +c2*e_2_1_1&
24129
24130 )
24131 e_2_1_2 = zetb*( c1*e_1_1_1 &
24132 +c3*e_2_1_1&
24133
24134 )
24135 e_3_2_1 = zeta*( c1*e_2_1_1 &
24136
24137
24138 )
24139 e_3_1_2 = zetb*( c1*e_2_1_1 &
24140
24141
24142 )
24143 e_0_2_2 = zetb*( &
24144 +c3*e_0_2_1&
24145 +2*e_1_2_1 &
24146 -2*e_0_2_0)
24147 e_1_2_2 = zetb*( c1*e_0_2_1 &
24148 +c3*e_1_2_1&
24149 +4*e_2_2_1 &
24150 -2*e_1_2_0)
24151 e_2_2_2 = zetb*( c1*e_1_2_1 &
24152 +c3*e_2_2_1&
24153 +6*e_3_2_1 &
24154 -2*e_2_2_0)
24155 e_3_2_2 = zetb*( c1*e_2_2_1 &
24156 +c3*e_3_2_1&
24157
24158 )
24159 e_4_2_2 = zetb*( c1*e_3_2_1 &
24160
24161
24162 )
24163 e_0_1_2 = zeta*( &
24164 +c2*e_0_0_2&
24165 +2*e_1_0_2 &
24166 )
24167 e_0_0_3 = zetb*( &
24168 +c3*e_0_0_2&
24169 +2*e_1_0_2 &
24170 -4*e_0_0_1)
24171 e_1_1_2 = zeta*( c1*e_0_0_2 &
24172 +c2*e_1_0_2&
24173 +4*e_2_0_2 &
24174 )
24175 e_1_0_3 = zetb*( c1*e_0_0_2 &
24176 +c3*e_1_0_2&
24177 +4*e_2_0_2 &
24178 -4*e_1_0_1)
24179 e_2_1_2 = zeta*( c1*e_1_0_2 &
24180 +c2*e_2_0_2&
24181
24182 )
24183 e_2_0_3 = zetb*( c1*e_1_0_2 &
24184 +c3*e_2_0_2&
24185
24186 )
24187 e_3_1_2 = zeta*( c1*e_2_0_2 &
24188
24189
24190 )
24191 e_3_0_3 = zetb*( c1*e_2_0_2 &
24192
24193
24194 )
24195 e_0_2_2 = zeta*( &
24196 +c2*e_0_1_2&
24197 +2*e_1_1_2 &
24198 -2*e_0_0_2)
24199 e_0_1_3 = zetb*( &
24200 +c3*e_0_1_2&
24201 +2*e_1_1_2 &
24202 -4*e_0_1_1)
24203 e_1_2_2 = zeta*( c1*e_0_1_2 &
24204 +c2*e_1_1_2&
24205 +4*e_2_1_2 &
24206 -2*e_1_0_2)
24207 e_1_1_3 = zetb*( c1*e_0_1_2 &
24208 +c3*e_1_1_2&
24209 +4*e_2_1_2 &
24210 -4*e_1_1_1)
24211 e_2_2_2 = zeta*( c1*e_1_1_2 &
24212 +c2*e_2_1_2&
24213 +6*e_3_1_2 &
24214 -2*e_2_0_2)
24215 e_2_1_3 = zetb*( c1*e_1_1_2 &
24216 +c3*e_2_1_2&
24217 +6*e_3_1_2 &
24218 -4*e_2_1_1)
24219 e_3_2_2 = zeta*( c1*e_2_1_2 &
24220 +c2*e_3_1_2&
24221
24222 )
24223 e_3_1_3 = zetb*( c1*e_2_1_2 &
24224 +c3*e_3_1_2&
24225
24226 )
24227 e_4_2_2 = zeta*( c1*e_3_1_2 &
24228
24229
24230 )
24231 e_4_1_3 = zetb*( c1*e_3_1_2 &
24232
24233
24234 )
24235 e_0_2_3 = zetb*( &
24236 +c3*e_0_2_2&
24237 +2*e_1_2_2 &
24238 -4*e_0_2_1)
24239 e_1_2_3 = zetb*( c1*e_0_2_2 &
24240 +c3*e_1_2_2&
24241 +4*e_2_2_2 &
24242 -4*e_1_2_1)
24243 e_2_2_3 = zetb*( c1*e_1_2_2 &
24244 +c3*e_2_2_2&
24245 +6*e_3_2_2 &
24246 -4*e_2_2_1)
24247 e_3_2_3 = zetb*( c1*e_2_2_2 &
24248 +c3*e_3_2_2&
24249 +8*e_4_2_2 &
24250 -4*e_3_2_1)
24251 e_4_2_3 = zetb*( c1*e_3_2_2 &
24252 +c3*e_4_2_2&
24253
24254 )
24255 e_5_2_3 = zetb*( c1*e_4_2_2 &
24256
24257
24258 )
24259 e_0_1_3 = zeta*( &
24260 +c2*e_0_0_3&
24261 +2*e_1_0_3 &
24262 )
24263 e_0_0_4 = zetb*( &
24264 +c3*e_0_0_3&
24265 +2*e_1_0_3 &
24266 -6*e_0_0_2)
24267 e_1_1_3 = zeta*( c1*e_0_0_3 &
24268 +c2*e_1_0_3&
24269 +4*e_2_0_3 &
24270 )
24271 e_1_0_4 = zetb*( c1*e_0_0_3 &
24272 +c3*e_1_0_3&
24273 +4*e_2_0_3 &
24274 -6*e_1_0_2)
24275 e_2_1_3 = zeta*( c1*e_1_0_3 &
24276 +c2*e_2_0_3&
24277 +6*e_3_0_3 &
24278 )
24279 e_2_0_4 = zetb*( c1*e_1_0_3 &
24280 +c3*e_2_0_3&
24281 +6*e_3_0_3 &
24282 -6*e_2_0_2)
24283 e_3_1_3 = zeta*( c1*e_2_0_3 &
24284 +c2*e_3_0_3&
24285
24286 )
24287 e_3_0_4 = zetb*( c1*e_2_0_3 &
24288 +c3*e_3_0_3&
24289
24290 )
24291 e_4_1_3 = zeta*( c1*e_3_0_3 &
24292
24293
24294 )
24295 e_4_0_4 = zetb*( c1*e_3_0_3 &
24296
24297
24298 )
24299 e_0_2_3 = zeta*( &
24300 +c2*e_0_1_3&
24301 +2*e_1_1_3 &
24302 -2*e_0_0_3)
24303 e_0_1_4 = zetb*( &
24304 +c3*e_0_1_3&
24305 +2*e_1_1_3 &
24306 -6*e_0_1_2)
24307 e_1_2_3 = zeta*( c1*e_0_1_3 &
24308 +c2*e_1_1_3&
24309 +4*e_2_1_3 &
24310 -2*e_1_0_3)
24311 e_1_1_4 = zetb*( c1*e_0_1_3 &
24312 +c3*e_1_1_3&
24313 +4*e_2_1_3 &
24314 -6*e_1_1_2)
24315 e_2_2_3 = zeta*( c1*e_1_1_3 &
24316 +c2*e_2_1_3&
24317 +6*e_3_1_3 &
24318 -2*e_2_0_3)
24319 e_2_1_4 = zetb*( c1*e_1_1_3 &
24320 +c3*e_2_1_3&
24321 +6*e_3_1_3 &
24322 -6*e_2_1_2)
24323 e_3_2_3 = zeta*( c1*e_2_1_3 &
24324 +c2*e_3_1_3&
24325 +8*e_4_1_3 &
24326 -2*e_3_0_3)
24327 e_3_1_4 = zetb*( c1*e_2_1_3 &
24328 +c3*e_3_1_3&
24329 +8*e_4_1_3 &
24330 -6*e_3_1_2)
24331 e_4_2_3 = zeta*( c1*e_3_1_3 &
24332 +c2*e_4_1_3&
24333
24334 )
24335 e_4_1_4 = zetb*( c1*e_3_1_3 &
24336 +c3*e_4_1_3&
24337
24338 )
24339 e_5_2_3 = zeta*( c1*e_4_1_3 &
24340
24341
24342 )
24343 e_5_1_4 = zetb*( c1*e_4_1_3 &
24344
24345
24346 )
24347 e_0_2_4 = zetb*( &
24348 +c3*e_0_2_3&
24349 +2*e_1_2_3 &
24350 -6*e_0_2_2)
24351 e_1_2_4 = zetb*( c1*e_0_2_3 &
24352 +c3*e_1_2_3&
24353 +4*e_2_2_3 &
24354 -6*e_1_2_2)
24355 e_2_2_4 = zetb*( c1*e_1_2_3 &
24356 +c3*e_2_2_3&
24357 +6*e_3_2_3 &
24358 -6*e_2_2_2)
24359 e_3_2_4 = zetb*( c1*e_2_2_3 &
24360 +c3*e_3_2_3&
24361 +8*e_4_2_3 &
24362 -6*e_3_2_2)
24363 e_4_2_4 = zetb*( c1*e_3_2_3 &
24364 +c3*e_4_2_3&
24365 +10*e_5_2_3 &
24366 -6*e_4_2_2)
24367 e_5_2_4 = zetb*( c1*e_4_2_3 &
24368 +c3*e_5_2_3&
24369
24370 )
24371 e_6_2_4 = zetb*( c1*e_5_2_3 &
24372
24373
24374 )
24375 e_0_1_4 = zeta*( &
24376 +c2*e_0_0_4&
24377 +2*e_1_0_4 &
24378 )
24379 e_1_1_4 = zeta*( c1*e_0_0_4 &
24380 +c2*e_1_0_4&
24381 +4*e_2_0_4 &
24382 )
24383 e_2_1_4 = zeta*( c1*e_1_0_4 &
24384 +c2*e_2_0_4&
24385 +6*e_3_0_4 &
24386 )
24387 e_3_1_4 = zeta*( c1*e_2_0_4 &
24388 +c2*e_3_0_4&
24389 +8*e_4_0_4 &
24390 )
24391 e_4_1_4 = zeta*( c1*e_3_0_4 &
24392 +c2*e_4_0_4&
24393
24394 )
24395 e_5_1_4 = zeta*( c1*e_4_0_4 &
24396
24397
24398 )
24399 e_0_2_4 = zeta*( &
24400 +c2*e_0_1_4&
24401 +2*e_1_1_4 &
24402 -2*e_0_0_4)
24403 e_1_2_4 = zeta*( c1*e_0_1_4 &
24404 +c2*e_1_1_4&
24405 +4*e_2_1_4 &
24406 -2*e_1_0_4)
24407 e_2_2_4 = zeta*( c1*e_1_1_4 &
24408 +c2*e_2_1_4&
24409 +6*e_3_1_4 &
24410 -2*e_2_0_4)
24411 e_3_2_4 = zeta*( c1*e_2_1_4 &
24412 +c2*e_3_1_4&
24413 +8*e_4_1_4 &
24414 -2*e_3_0_4)
24415 e_4_2_4 = zeta*( c1*e_3_1_4 &
24416 +c2*e_4_1_4&
24417 +10*e_5_1_4 &
24418 -2*e_4_0_4)
24419 e_5_2_4 = zeta*( c1*e_4_1_4 &
24420 +c2*e_5_1_4&
24421
24422 )
24423 e_6_2_4 = zeta*( c1*e_5_1_4 &
24424
24425
24426 )
24427
24428 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
24429 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
24430 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
24431 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
24432 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
24433 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24434 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
24435 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
24436 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
24437 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
24438 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
24439 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
24440 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
24441 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
24442 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
24443 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
24444 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
24445 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
24446 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
24447 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
24448 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
24449 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
24450 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
24451 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
24452 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
24453 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
24454 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24455 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
24456 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
24457 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
24458 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
24459 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
24460 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
24461 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
24462 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
24463 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24464 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
24465 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
24466 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
24467 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
24468 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24469 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24470 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
24471 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
24472 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
24473 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
24474 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24475 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
24476 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
24477 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
24478 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
24479 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24480 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24481 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
24482 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
24483 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
24484 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
24485 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24486 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24487 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24488 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
24489 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
24490 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
24491 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
24492 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
24493 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
24494 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
24495 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
24496 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
24497 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
24498 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
24499 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
24500 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
24501 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
24502 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
24503 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
24504 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
24505 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
24506 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
24507 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
24508 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
24509 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
24510 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
24511 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
24512 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
24513 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
24514 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
24515 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
24516 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
24517 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
24518 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
24519 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
24520 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
24521 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
24522 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
24523 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
24524 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
24525 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
24526 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
24527 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
24528 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
24529 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
24530 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
24531 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
24532 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
24533 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
24534 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
24535 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
24536 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
24537 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
24538 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
24539 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
24540 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
24541 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
24542 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
24543 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
24544 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
24545 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
24546 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
24547 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
24548 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
24549 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
24550 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
24551 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24552 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
24553 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
24554 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
24555 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
24556 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
24557 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
24558 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
24559 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
24560 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
24561 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
24562 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
24563 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
24564 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
24565 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
24566 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
24567 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
24568 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
24569 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
24570 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
24571 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
24572 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24573 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
24574 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
24575 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
24576 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
24577 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
24578 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
24579 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
24580 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
24581 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24582 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
24583 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
24584 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
24585 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
24586 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24587 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24588 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
24589 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
24590 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
24591 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
24592 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24593 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
24594 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
24595 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
24596 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
24597 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24598 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24599 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
24600 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
24601 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
24602 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
24603 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24604 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24605 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24606 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
24607 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
24608 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
24609 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
24610 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
24611 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
24612 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
24613 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
24614 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
24615 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
24616 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
24617 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
24618 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
24619 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
24620 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
24621 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
24622 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
24623 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
24624 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
24625 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
24626 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
24627 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
24628 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
24629 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
24630 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
24631 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
24632 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
24633 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
24634 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
24635 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
24636 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
24637 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
24638 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
24639 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
24640 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
24641 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
24642 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
24643 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
24644 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
24645 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
24646 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
24647 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
24648 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
24649 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
24650 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
24651 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
24652 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
24653 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
24654 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
24655 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
24656 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
24657 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
24658 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
24659 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
24660 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
24661 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
24662 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
24663 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
24664 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
24665 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
24666 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
24667 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
24668 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
24669 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
24670 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
24671 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
24672 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
24673 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
24674 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
24675 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
24676 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
24677 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
24678 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
24679 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
24680 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
24681 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
24682 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
24683 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
24684 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
24685 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
24686 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
24687 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
24688 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
24689 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
24690 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24691 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
24692 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
24693 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
24694 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
24695 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
24696 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
24697 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
24698 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
24699 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24700 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
24701 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
24702 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
24703 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
24704 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24705 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24706 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
24707 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
24708 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
24709 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
24710 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24711 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
24712 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
24713 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
24714 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
24715 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24716 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24717 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
24718 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
24719 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
24720 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
24721 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24722 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24723 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24724 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
24725 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
24726 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
24727 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
24728 r1 = r1 + dr
24729 END DO
24730
24731 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
24732 END SUBROUTINE
24733 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_0_exp_0 ( &
24734 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
24735 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
24736 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
24737 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
24738 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
24739 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
24740 r_pow_t, r_tmp, rr1_delta, rr2_delta
24741
24742 REAL(kind=dp) :: c1, c2, c3
24743 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
24744 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
24745 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
24746 & h_to_c_3_3
24747 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
24748
24749
24750 dr = lgth
24751 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
24752
24753 s_r(:, :, :) = 0.0_dp
24754
24755 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
24756
24757 h_to_c_0_0 = sqrt(alpha/pi)
24758
24759 h_to_c_0_1 = 0.0_dp
24760 h_to_c_1_1 = +2*alpha*h_to_c_0_0
24761 h_to_c_0_2 = -1*h_to_c_1_1
24762 h_to_c_1_2 = +2*alpha*h_to_c_0_1
24763 h_to_c_2_2 = +2*alpha*h_to_c_1_1
24764 h_to_c_0_3 = -1*h_to_c_1_2
24765 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
24766 h_to_c_2_3 = +2*alpha*h_to_c_1_2
24767 h_to_c_3_3 = +2*alpha*h_to_c_2_2
24768
24769
24770 rr1_delta = (ra - rb)/dr
24771
24772 rr1_l = ceiling(-r_c(1) + rr1_delta)
24773 rr1_r = floor(r_c(1) + rr1_delta)
24774
24775 r1 = rr1_l*dr
24776
24777 alpha_e = zeta*zetb/(zeta + zetb)
24778
24779 DO rr1 = rr1_l, rr1_r
24780 s_r_t_0 = 0.0_dp
24781 s_r_t2_0 = 0.0_dp
24782 s_r_t_1 = 0.0_dp
24783 s_r_t2_1 = 0.0_dp
24784 s_r_t_2 = 0.0_dp
24785 s_r_t2_2 = 0.0_dp
24786 s_r_t_3 = 0.0_dp
24787 s_r_t2_3 = 0.0_dp
24788 r_tmp = r_offset + r1*zeta/(zeta + zetb)
24789 rr2_delta = -r_tmp/dr
24790
24791 rr2_l = ceiling(-r_c(2) + rr2_delta)
24792 rr2_r = floor(r_c(2) + rr2_delta)
24793
24794 r = r_tmp + (rr2_l)*dr
24795
24796
24797 DO rr2 = rr2_l, rr2_r
24798 r_pow_t = 1.0_dp
24799 exp2_rsq = exp(-alpha*r*r)
24800 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
24801 r_pow_t = r_pow_t*r
24802 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
24803 r_pow_t = r_pow_t*r
24804 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
24805 r_pow_t = r_pow_t*r
24806 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
24807
24808 r = r + dr
24809 END DO
24810
24811 ! C --> H
24812 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
24813 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
24814 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
24815 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
24816 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
24817 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
24818 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
24819 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
24820 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
24821 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
24822
24823 ! H --> HH
24824 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24825
24826 c1 = 1.0_dp/(zeta + zetb)
24827 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24828 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24829
24830 e_0_1_0 = zeta*( &
24831 +c2*e_0_0_0&
24832
24833 )
24834 e_1_1_0 = zeta*( c1*e_0_0_0 &
24835
24836
24837 )
24838 e_0_2_0 = zeta*( &
24839 +c2*e_0_1_0&
24840 +2*e_1_1_0 &
24841 -2*e_0_0_0)
24842 e_1_2_0 = zeta*( c1*e_0_1_0 &
24843 +c2*e_1_1_0&
24844
24845 )
24846 e_2_2_0 = zeta*( c1*e_1_1_0 &
24847
24848
24849 )
24850 e_0_3_0 = zeta*( &
24851 +c2*e_0_2_0&
24852 +2*e_1_2_0 &
24853 -4*e_0_1_0)
24854 e_1_3_0 = zeta*( c1*e_0_2_0 &
24855 +c2*e_1_2_0&
24856 +4*e_2_2_0 &
24857 -4*e_1_1_0)
24858 e_2_3_0 = zeta*( c1*e_1_2_0 &
24859 +c2*e_2_2_0&
24860
24861 )
24862 e_3_3_0 = zeta*( c1*e_2_2_0 &
24863
24864
24865 )
24866
24867 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
24868 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
24869 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
24870 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
24871 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
24872 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24873 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
24874 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
24875 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
24876 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
24877 r1 = r1 + dr
24878 END DO
24879
24880 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
24881 END SUBROUTINE
24882 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_1_exp_0 ( &
24883 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
24884 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
24885 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
24886 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
24887 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
24888 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
24889 r_pow_t, r_tmp, rr1_delta, rr2_delta
24890
24891 REAL(kind=dp) :: c1, c2, c3
24892 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
24893 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
24894 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
24895 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
24896 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
24897
24898
24899 dr = lgth
24900 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
24901
24902 s_r(:, :, :) = 0.0_dp
24903
24904 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
24905
24906 h_to_c_0_0 = sqrt(alpha/pi)
24907
24908 h_to_c_0_1 = 0.0_dp
24909 h_to_c_1_1 = +2*alpha*h_to_c_0_0
24910 h_to_c_0_2 = -1*h_to_c_1_1
24911 h_to_c_1_2 = +2*alpha*h_to_c_0_1
24912 h_to_c_2_2 = +2*alpha*h_to_c_1_1
24913 h_to_c_0_3 = -1*h_to_c_1_2
24914 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
24915 h_to_c_2_3 = +2*alpha*h_to_c_1_2
24916 h_to_c_3_3 = +2*alpha*h_to_c_2_2
24917 h_to_c_0_4 = -1*h_to_c_1_3
24918 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
24919 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
24920 h_to_c_3_4 = +2*alpha*h_to_c_2_3
24921 h_to_c_4_4 = +2*alpha*h_to_c_3_3
24922
24923
24924 rr1_delta = (ra - rb)/dr
24925
24926 rr1_l = ceiling(-r_c(1) + rr1_delta)
24927 rr1_r = floor(r_c(1) + rr1_delta)
24928
24929 r1 = rr1_l*dr
24930
24931 alpha_e = zeta*zetb/(zeta + zetb)
24932
24933 DO rr1 = rr1_l, rr1_r
24934 s_r_t_0 = 0.0_dp
24935 s_r_t2_0 = 0.0_dp
24936 s_r_t_1 = 0.0_dp
24937 s_r_t2_1 = 0.0_dp
24938 s_r_t_2 = 0.0_dp
24939 s_r_t2_2 = 0.0_dp
24940 s_r_t_3 = 0.0_dp
24941 s_r_t2_3 = 0.0_dp
24942 s_r_t_4 = 0.0_dp
24943 s_r_t2_4 = 0.0_dp
24944 r_tmp = r_offset + r1*zeta/(zeta + zetb)
24945 rr2_delta = -r_tmp/dr
24946
24947 rr2_l = ceiling(-r_c(2) + rr2_delta)
24948 rr2_r = floor(r_c(2) + rr2_delta)
24949
24950 r = r_tmp + (rr2_l)*dr
24951
24952
24953 DO rr2 = rr2_l, rr2_r
24954 r_pow_t = 1.0_dp
24955 exp2_rsq = exp(-alpha*r*r)
24956 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
24957 r_pow_t = r_pow_t*r
24958 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
24959 r_pow_t = r_pow_t*r
24960 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
24961 r_pow_t = r_pow_t*r
24962 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
24963 r_pow_t = r_pow_t*r
24964 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
24965
24966 r = r + dr
24967 END DO
24968
24969 ! C --> H
24970 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
24971 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
24972 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
24973 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
24974 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
24975 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
24976 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
24977 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
24978 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
24979 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
24980 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
24981 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
24982 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
24983 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
24984 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
24985
24986 ! H --> HH
24987 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24988
24989 c1 = 1.0_dp/(zeta + zetb)
24990 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24991 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24992
24993 e_0_1_0 = zeta*( &
24994 +c2*e_0_0_0&
24995
24996 )
24997 e_1_1_0 = zeta*( c1*e_0_0_0 &
24998
24999
25000 )
25001 e_0_2_0 = zeta*( &
25002 +c2*e_0_1_0&
25003 +2*e_1_1_0 &
25004 -2*e_0_0_0)
25005 e_1_2_0 = zeta*( c1*e_0_1_0 &
25006 +c2*e_1_1_0&
25007
25008 )
25009 e_2_2_0 = zeta*( c1*e_1_1_0 &
25010
25011
25012 )
25013 e_0_3_0 = zeta*( &
25014 +c2*e_0_2_0&
25015 +2*e_1_2_0 &
25016 -4*e_0_1_0)
25017 e_1_3_0 = zeta*( c1*e_0_2_0 &
25018 +c2*e_1_2_0&
25019 +4*e_2_2_0 &
25020 -4*e_1_1_0)
25021 e_2_3_0 = zeta*( c1*e_1_2_0 &
25022 +c2*e_2_2_0&
25023
25024 )
25025 e_3_3_0 = zeta*( c1*e_2_2_0 &
25026
25027
25028 )
25029
25030 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25031 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25032 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25033 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25034 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25035 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25036 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25037 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25038 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25039 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25040 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25041 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25042 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25043 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25044 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25045 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25046 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25047 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25048 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25049 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25050 r1 = r1 + dr
25051 END DO
25052
25053 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25054 END SUBROUTINE
25055 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_2_exp_0 ( &
25056 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25057 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25058 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25059 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25060 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25061 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25062 r_pow_t, r_tmp, rr1_delta, rr2_delta
25063
25064 REAL(kind=dp) :: c1, c2, c3
25065 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
25066 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
25067 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25068 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25069 & h_to_c_4_5, h_to_c_5_5
25070 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25071
25072
25073 dr = lgth
25074 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25075
25076 s_r(:, :, :) = 0.0_dp
25077
25078 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25079
25080 h_to_c_0_0 = sqrt(alpha/pi)
25081
25082 h_to_c_0_1 = 0.0_dp
25083 h_to_c_1_1 = +2*alpha*h_to_c_0_0
25084 h_to_c_0_2 = -1*h_to_c_1_1
25085 h_to_c_1_2 = +2*alpha*h_to_c_0_1
25086 h_to_c_2_2 = +2*alpha*h_to_c_1_1
25087 h_to_c_0_3 = -1*h_to_c_1_2
25088 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25089 h_to_c_2_3 = +2*alpha*h_to_c_1_2
25090 h_to_c_3_3 = +2*alpha*h_to_c_2_2
25091 h_to_c_0_4 = -1*h_to_c_1_3
25092 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25093 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25094 h_to_c_3_4 = +2*alpha*h_to_c_2_3
25095 h_to_c_4_4 = +2*alpha*h_to_c_3_3
25096 h_to_c_0_5 = -1*h_to_c_1_4
25097 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25098 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25099 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25100 h_to_c_4_5 = +2*alpha*h_to_c_3_4
25101 h_to_c_5_5 = +2*alpha*h_to_c_4_4
25102
25103
25104 rr1_delta = (ra - rb)/dr
25105
25106 rr1_l = ceiling(-r_c(1) + rr1_delta)
25107 rr1_r = floor(r_c(1) + rr1_delta)
25108
25109 r1 = rr1_l*dr
25110
25111 alpha_e = zeta*zetb/(zeta + zetb)
25112
25113 DO rr1 = rr1_l, rr1_r
25114 s_r_t_0 = 0.0_dp
25115 s_r_t2_0 = 0.0_dp
25116 s_r_t_1 = 0.0_dp
25117 s_r_t2_1 = 0.0_dp
25118 s_r_t_2 = 0.0_dp
25119 s_r_t2_2 = 0.0_dp
25120 s_r_t_3 = 0.0_dp
25121 s_r_t2_3 = 0.0_dp
25122 s_r_t_4 = 0.0_dp
25123 s_r_t2_4 = 0.0_dp
25124 s_r_t_5 = 0.0_dp
25125 s_r_t2_5 = 0.0_dp
25126 r_tmp = r_offset + r1*zeta/(zeta + zetb)
25127 rr2_delta = -r_tmp/dr
25128
25129 rr2_l = ceiling(-r_c(2) + rr2_delta)
25130 rr2_r = floor(r_c(2) + rr2_delta)
25131
25132 r = r_tmp + (rr2_l)*dr
25133
25134
25135 DO rr2 = rr2_l, rr2_r
25136 r_pow_t = 1.0_dp
25137 exp2_rsq = exp(-alpha*r*r)
25138 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25139 r_pow_t = r_pow_t*r
25140 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25141 r_pow_t = r_pow_t*r
25142 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25143 r_pow_t = r_pow_t*r
25144 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25145 r_pow_t = r_pow_t*r
25146 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25147 r_pow_t = r_pow_t*r
25148 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25149
25150 r = r + dr
25151 END DO
25152
25153 ! C --> H
25154 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25155 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25156 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25157 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25158 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25159 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25160 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25161 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25162 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25163 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25164 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25165 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25166 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25167 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25168 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25169 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25170 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25171 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25172 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25173 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25174 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25175
25176 ! H --> HH
25177 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25178
25179 c1 = 1.0_dp/(zeta + zetb)
25180 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25181 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25182
25183 e_0_1_0 = zeta*( &
25184 +c2*e_0_0_0&
25185
25186 )
25187 e_1_1_0 = zeta*( c1*e_0_0_0 &
25188
25189
25190 )
25191 e_0_2_0 = zeta*( &
25192 +c2*e_0_1_0&
25193 +2*e_1_1_0 &
25194 -2*e_0_0_0)
25195 e_1_2_0 = zeta*( c1*e_0_1_0 &
25196 +c2*e_1_1_0&
25197
25198 )
25199 e_2_2_0 = zeta*( c1*e_1_1_0 &
25200
25201
25202 )
25203 e_0_3_0 = zeta*( &
25204 +c2*e_0_2_0&
25205 +2*e_1_2_0 &
25206 -4*e_0_1_0)
25207 e_1_3_0 = zeta*( c1*e_0_2_0 &
25208 +c2*e_1_2_0&
25209 +4*e_2_2_0 &
25210 -4*e_1_1_0)
25211 e_2_3_0 = zeta*( c1*e_1_2_0 &
25212 +c2*e_2_2_0&
25213
25214 )
25215 e_3_3_0 = zeta*( c1*e_2_2_0 &
25216
25217
25218 )
25219
25220 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25221 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25222 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25223 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25224 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25225 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25226 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25227 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25228 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25229 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25230 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25231 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25232 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25233 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25234 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25235 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25236 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25237 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25238 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25239 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25240 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25241 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25242 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25243 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25244 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25245 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25246 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25247 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25248 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25249 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25250 r1 = r1 + dr
25251 END DO
25252
25253 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25254 END SUBROUTINE
25255 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_3_exp_0 ( &
25256 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25257 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25258 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25259 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25260 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25261 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25262 r_pow_t, r_tmp, rr1_delta, rr2_delta
25263
25264 REAL(kind=dp) :: c1, c2, c3
25265 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
25266 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
25267 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25268 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25269 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
25270 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25271
25272
25273 dr = lgth
25274 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25275
25276 s_r(:, :, :) = 0.0_dp
25277
25278 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25279
25280 h_to_c_0_0 = sqrt(alpha/pi)
25281
25282 h_to_c_0_1 = 0.0_dp
25283 h_to_c_1_1 = +2*alpha*h_to_c_0_0
25284 h_to_c_0_2 = -1*h_to_c_1_1
25285 h_to_c_1_2 = +2*alpha*h_to_c_0_1
25286 h_to_c_2_2 = +2*alpha*h_to_c_1_1
25287 h_to_c_0_3 = -1*h_to_c_1_2
25288 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25289 h_to_c_2_3 = +2*alpha*h_to_c_1_2
25290 h_to_c_3_3 = +2*alpha*h_to_c_2_2
25291 h_to_c_0_4 = -1*h_to_c_1_3
25292 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25293 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25294 h_to_c_3_4 = +2*alpha*h_to_c_2_3
25295 h_to_c_4_4 = +2*alpha*h_to_c_3_3
25296 h_to_c_0_5 = -1*h_to_c_1_4
25297 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25298 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25299 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25300 h_to_c_4_5 = +2*alpha*h_to_c_3_4
25301 h_to_c_5_5 = +2*alpha*h_to_c_4_4
25302 h_to_c_0_6 = -1*h_to_c_1_5
25303 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
25304 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
25305 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
25306 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
25307 h_to_c_5_6 = +2*alpha*h_to_c_4_5
25308 h_to_c_6_6 = +2*alpha*h_to_c_5_5
25309
25310
25311 rr1_delta = (ra - rb)/dr
25312
25313 rr1_l = ceiling(-r_c(1) + rr1_delta)
25314 rr1_r = floor(r_c(1) + rr1_delta)
25315
25316 r1 = rr1_l*dr
25317
25318 alpha_e = zeta*zetb/(zeta + zetb)
25319
25320 DO rr1 = rr1_l, rr1_r
25321 s_r_t_0 = 0.0_dp
25322 s_r_t2_0 = 0.0_dp
25323 s_r_t_1 = 0.0_dp
25324 s_r_t2_1 = 0.0_dp
25325 s_r_t_2 = 0.0_dp
25326 s_r_t2_2 = 0.0_dp
25327 s_r_t_3 = 0.0_dp
25328 s_r_t2_3 = 0.0_dp
25329 s_r_t_4 = 0.0_dp
25330 s_r_t2_4 = 0.0_dp
25331 s_r_t_5 = 0.0_dp
25332 s_r_t2_5 = 0.0_dp
25333 s_r_t_6 = 0.0_dp
25334 s_r_t2_6 = 0.0_dp
25335 r_tmp = r_offset + r1*zeta/(zeta + zetb)
25336 rr2_delta = -r_tmp/dr
25337
25338 rr2_l = ceiling(-r_c(2) + rr2_delta)
25339 rr2_r = floor(r_c(2) + rr2_delta)
25340
25341 r = r_tmp + (rr2_l)*dr
25342
25343
25344 DO rr2 = rr2_l, rr2_r
25345 r_pow_t = 1.0_dp
25346 exp2_rsq = exp(-alpha*r*r)
25347 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25348 r_pow_t = r_pow_t*r
25349 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25350 r_pow_t = r_pow_t*r
25351 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25352 r_pow_t = r_pow_t*r
25353 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25354 r_pow_t = r_pow_t*r
25355 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25356 r_pow_t = r_pow_t*r
25357 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25358 r_pow_t = r_pow_t*r
25359 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
25360
25361 r = r + dr
25362 END DO
25363
25364 ! C --> H
25365 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25366 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25367 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25368 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25369 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25370 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25371 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25372 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25373 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25374 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25375 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25376 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25377 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25378 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25379 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25380 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25381 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25382 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25383 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25384 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25385 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25386 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
25387 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
25388 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
25389 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
25390 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
25391 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
25392 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
25393
25394 ! H --> HH
25395 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25396
25397 c1 = 1.0_dp/(zeta + zetb)
25398 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25399 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25400
25401 e_0_1_0 = zeta*( &
25402 +c2*e_0_0_0&
25403
25404 )
25405 e_1_1_0 = zeta*( c1*e_0_0_0 &
25406
25407
25408 )
25409 e_0_2_0 = zeta*( &
25410 +c2*e_0_1_0&
25411 +2*e_1_1_0 &
25412 -2*e_0_0_0)
25413 e_1_2_0 = zeta*( c1*e_0_1_0 &
25414 +c2*e_1_1_0&
25415
25416 )
25417 e_2_2_0 = zeta*( c1*e_1_1_0 &
25418
25419
25420 )
25421 e_0_3_0 = zeta*( &
25422 +c2*e_0_2_0&
25423 +2*e_1_2_0 &
25424 -4*e_0_1_0)
25425 e_1_3_0 = zeta*( c1*e_0_2_0 &
25426 +c2*e_1_2_0&
25427 +4*e_2_2_0 &
25428 -4*e_1_1_0)
25429 e_2_3_0 = zeta*( c1*e_1_2_0 &
25430 +c2*e_2_2_0&
25431
25432 )
25433 e_3_3_0 = zeta*( c1*e_2_2_0 &
25434
25435
25436 )
25437
25438 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25439 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25440 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25441 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25442 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25443 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25444 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25445 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25446 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25447 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25448 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25449 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25450 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25451 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25452 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25453 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25454 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25455 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25456 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25457 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25458 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25459 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25460 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25461 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25462 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25463 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25464 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25465 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25466 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25467 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25468 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
25469 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
25470 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
25471 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25472 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
25473 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
25474 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25475 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25476 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
25477 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
25478 r1 = r1 + dr
25479 END DO
25480
25481 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25482 END SUBROUTINE
25483 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_4_exp_0 ( &
25484 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25485 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25486 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25487 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25488 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25489 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25490 r_pow_t, r_tmp, rr1_delta, rr2_delta
25491
25492 REAL(kind=dp) :: c1, c2, c3
25493 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
25494 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
25495 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25496 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25497 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
25498 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
25499 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25500
25501
25502 dr = lgth
25503 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25504
25505 s_r(:, :, :) = 0.0_dp
25506
25507 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25508
25509 h_to_c_0_0 = sqrt(alpha/pi)
25510
25511 h_to_c_0_1 = 0.0_dp
25512 h_to_c_1_1 = +2*alpha*h_to_c_0_0
25513 h_to_c_0_2 = -1*h_to_c_1_1
25514 h_to_c_1_2 = +2*alpha*h_to_c_0_1
25515 h_to_c_2_2 = +2*alpha*h_to_c_1_1
25516 h_to_c_0_3 = -1*h_to_c_1_2
25517 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25518 h_to_c_2_3 = +2*alpha*h_to_c_1_2
25519 h_to_c_3_3 = +2*alpha*h_to_c_2_2
25520 h_to_c_0_4 = -1*h_to_c_1_3
25521 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25522 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25523 h_to_c_3_4 = +2*alpha*h_to_c_2_3
25524 h_to_c_4_4 = +2*alpha*h_to_c_3_3
25525 h_to_c_0_5 = -1*h_to_c_1_4
25526 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25527 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25528 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25529 h_to_c_4_5 = +2*alpha*h_to_c_3_4
25530 h_to_c_5_5 = +2*alpha*h_to_c_4_4
25531 h_to_c_0_6 = -1*h_to_c_1_5
25532 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
25533 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
25534 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
25535 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
25536 h_to_c_5_6 = +2*alpha*h_to_c_4_5
25537 h_to_c_6_6 = +2*alpha*h_to_c_5_5
25538 h_to_c_0_7 = -1*h_to_c_1_6
25539 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
25540 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
25541 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
25542 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
25543 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
25544 h_to_c_6_7 = +2*alpha*h_to_c_5_6
25545 h_to_c_7_7 = +2*alpha*h_to_c_6_6
25546
25547
25548 rr1_delta = (ra - rb)/dr
25549
25550 rr1_l = ceiling(-r_c(1) + rr1_delta)
25551 rr1_r = floor(r_c(1) + rr1_delta)
25552
25553 r1 = rr1_l*dr
25554
25555 alpha_e = zeta*zetb/(zeta + zetb)
25556
25557 DO rr1 = rr1_l, rr1_r
25558 s_r_t_0 = 0.0_dp
25559 s_r_t2_0 = 0.0_dp
25560 s_r_t_1 = 0.0_dp
25561 s_r_t2_1 = 0.0_dp
25562 s_r_t_2 = 0.0_dp
25563 s_r_t2_2 = 0.0_dp
25564 s_r_t_3 = 0.0_dp
25565 s_r_t2_3 = 0.0_dp
25566 s_r_t_4 = 0.0_dp
25567 s_r_t2_4 = 0.0_dp
25568 s_r_t_5 = 0.0_dp
25569 s_r_t2_5 = 0.0_dp
25570 s_r_t_6 = 0.0_dp
25571 s_r_t2_6 = 0.0_dp
25572 s_r_t_7 = 0.0_dp
25573 s_r_t2_7 = 0.0_dp
25574 r_tmp = r_offset + r1*zeta/(zeta + zetb)
25575 rr2_delta = -r_tmp/dr
25576
25577 rr2_l = ceiling(-r_c(2) + rr2_delta)
25578 rr2_r = floor(r_c(2) + rr2_delta)
25579
25580 r = r_tmp + (rr2_l)*dr
25581
25582
25583 DO rr2 = rr2_l, rr2_r
25584 r_pow_t = 1.0_dp
25585 exp2_rsq = exp(-alpha*r*r)
25586 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25587 r_pow_t = r_pow_t*r
25588 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25589 r_pow_t = r_pow_t*r
25590 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25591 r_pow_t = r_pow_t*r
25592 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25593 r_pow_t = r_pow_t*r
25594 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25595 r_pow_t = r_pow_t*r
25596 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25597 r_pow_t = r_pow_t*r
25598 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
25599 r_pow_t = r_pow_t*r
25600 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
25601
25602 r = r + dr
25603 END DO
25604
25605 ! C --> H
25606 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25607 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25608 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25609 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25610 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25611 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25612 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25613 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25614 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25615 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25616 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25617 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25618 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25619 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25620 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25621 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25622 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25623 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25624 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25625 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25626 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25627 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
25628 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
25629 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
25630 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
25631 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
25632 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
25633 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
25634 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
25635 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
25636 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
25637 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
25638 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
25639 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
25640 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
25641 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
25642
25643 ! H --> HH
25644 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25645
25646 c1 = 1.0_dp/(zeta + zetb)
25647 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25648 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25649
25650 e_0_1_0 = zeta*( &
25651 +c2*e_0_0_0&
25652
25653 )
25654 e_1_1_0 = zeta*( c1*e_0_0_0 &
25655
25656
25657 )
25658 e_0_2_0 = zeta*( &
25659 +c2*e_0_1_0&
25660 +2*e_1_1_0 &
25661 -2*e_0_0_0)
25662 e_1_2_0 = zeta*( c1*e_0_1_0 &
25663 +c2*e_1_1_0&
25664
25665 )
25666 e_2_2_0 = zeta*( c1*e_1_1_0 &
25667
25668
25669 )
25670 e_0_3_0 = zeta*( &
25671 +c2*e_0_2_0&
25672 +2*e_1_2_0 &
25673 -4*e_0_1_0)
25674 e_1_3_0 = zeta*( c1*e_0_2_0 &
25675 +c2*e_1_2_0&
25676 +4*e_2_2_0 &
25677 -4*e_1_1_0)
25678 e_2_3_0 = zeta*( c1*e_1_2_0 &
25679 +c2*e_2_2_0&
25680
25681 )
25682 e_3_3_0 = zeta*( c1*e_2_2_0 &
25683
25684
25685 )
25686
25687 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25688 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25689 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25690 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25691 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25692 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25693 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25694 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25695 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25696 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25697 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25698 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25699 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25700 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25701 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25702 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25703 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25704 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25705 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25706 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25707 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25708 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25709 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25710 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25711 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25712 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25713 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25714 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25715 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25716 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25717 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
25718 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
25719 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
25720 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25721 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
25722 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
25723 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25724 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25725 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
25726 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
25727 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
25728 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
25729 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
25730 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25731 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
25732 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
25733 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25734 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25735 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
25736 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
25737 r1 = r1 + dr
25738 END DO
25739
25740 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25741 END SUBROUTINE
25742 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_0_exp_0 ( &
25743 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25744 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25745 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25746 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25747 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25748 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25749 r_pow_t, r_tmp, rr1_delta, rr2_delta
25750
25751 REAL(kind=dp) :: c1, c2, c3
25752 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
25753 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
25754 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25755 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
25756 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
25757 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
25758
25759
25760 dr = lgth
25761 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25762
25763 s_r(:, :, :) = 0.0_dp
25764
25765 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25766
25767 h_to_c_0_0 = sqrt(alpha/pi)
25768
25769 h_to_c_0_1 = 0.0_dp
25770 h_to_c_1_1 = +2*alpha*h_to_c_0_0
25771 h_to_c_0_2 = -1*h_to_c_1_1
25772 h_to_c_1_2 = +2*alpha*h_to_c_0_1
25773 h_to_c_2_2 = +2*alpha*h_to_c_1_1
25774 h_to_c_0_3 = -1*h_to_c_1_2
25775 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25776 h_to_c_2_3 = +2*alpha*h_to_c_1_2
25777 h_to_c_3_3 = +2*alpha*h_to_c_2_2
25778 h_to_c_0_4 = -1*h_to_c_1_3
25779 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25780 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25781 h_to_c_3_4 = +2*alpha*h_to_c_2_3
25782 h_to_c_4_4 = +2*alpha*h_to_c_3_3
25783
25784
25785 rr1_delta = (ra - rb)/dr
25786
25787 rr1_l = ceiling(-r_c(1) + rr1_delta)
25788 rr1_r = floor(r_c(1) + rr1_delta)
25789
25790 r1 = rr1_l*dr
25791
25792 alpha_e = zeta*zetb/(zeta + zetb)
25793
25794 DO rr1 = rr1_l, rr1_r
25795 s_r_t_0 = 0.0_dp
25796 s_r_t2_0 = 0.0_dp
25797 s_r_t_1 = 0.0_dp
25798 s_r_t2_1 = 0.0_dp
25799 s_r_t_2 = 0.0_dp
25800 s_r_t2_2 = 0.0_dp
25801 s_r_t_3 = 0.0_dp
25802 s_r_t2_3 = 0.0_dp
25803 s_r_t_4 = 0.0_dp
25804 s_r_t2_4 = 0.0_dp
25805 r_tmp = r_offset + r1*zeta/(zeta + zetb)
25806 rr2_delta = -r_tmp/dr
25807
25808 rr2_l = ceiling(-r_c(2) + rr2_delta)
25809 rr2_r = floor(r_c(2) + rr2_delta)
25810
25811 r = r_tmp + (rr2_l)*dr
25812
25813
25814 DO rr2 = rr2_l, rr2_r
25815 r_pow_t = 1.0_dp
25816 exp2_rsq = exp(-alpha*r*r)
25817 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25818 r_pow_t = r_pow_t*r
25819 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25820 r_pow_t = r_pow_t*r
25821 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25822 r_pow_t = r_pow_t*r
25823 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25824 r_pow_t = r_pow_t*r
25825 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25826
25827 r = r + dr
25828 END DO
25829
25830 ! C --> H
25831 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25832 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25833 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25834 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25835 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25836 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25837 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25838 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25839 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25840 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25841 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25842 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25843 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25844 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25845 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25846
25847 ! H --> HH
25848 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25849
25850 c1 = 1.0_dp/(zeta + zetb)
25851 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25852 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25853
25854 e_0_1_0 = zeta*( &
25855 +c2*e_0_0_0&
25856
25857 )
25858 e_0_0_1 = zetb*( &
25859 +c3*e_0_0_0&
25860
25861 )
25862 e_1_1_0 = zeta*( c1*e_0_0_0 &
25863
25864
25865 )
25866 e_1_0_1 = zetb*( c1*e_0_0_0 &
25867
25868
25869 )
25870 e_0_2_0 = zeta*( &
25871 +c2*e_0_1_0&
25872 +2*e_1_1_0 &
25873 -2*e_0_0_0)
25874 e_0_1_1 = zetb*( &
25875 +c3*e_0_1_0&
25876 +2*e_1_1_0 &
25877 )
25878 e_1_2_0 = zeta*( c1*e_0_1_0 &
25879 +c2*e_1_1_0&
25880
25881 )
25882 e_1_1_1 = zetb*( c1*e_0_1_0 &
25883 +c3*e_1_1_0&
25884
25885 )
25886 e_2_2_0 = zeta*( c1*e_1_1_0 &
25887
25888
25889 )
25890 e_2_1_1 = zetb*( c1*e_1_1_0 &
25891
25892
25893 )
25894 e_0_3_0 = zeta*( &
25895 +c2*e_0_2_0&
25896 +2*e_1_2_0 &
25897 -4*e_0_1_0)
25898 e_0_2_1 = zetb*( &
25899 +c3*e_0_2_0&
25900 +2*e_1_2_0 &
25901 )
25902 e_1_3_0 = zeta*( c1*e_0_2_0 &
25903 +c2*e_1_2_0&
25904 +4*e_2_2_0 &
25905 -4*e_1_1_0)
25906 e_1_2_1 = zetb*( c1*e_0_2_0 &
25907 +c3*e_1_2_0&
25908 +4*e_2_2_0 &
25909 )
25910 e_2_3_0 = zeta*( c1*e_1_2_0 &
25911 +c2*e_2_2_0&
25912
25913 )
25914 e_2_2_1 = zetb*( c1*e_1_2_0 &
25915 +c3*e_2_2_0&
25916
25917 )
25918 e_3_3_0 = zeta*( c1*e_2_2_0 &
25919
25920
25921 )
25922 e_3_2_1 = zetb*( c1*e_2_2_0 &
25923
25924
25925 )
25926 e_0_3_1 = zetb*( &
25927 +c3*e_0_3_0&
25928 +2*e_1_3_0 &
25929 )
25930 e_1_3_1 = zetb*( c1*e_0_3_0 &
25931 +c3*e_1_3_0&
25932 +4*e_2_3_0 &
25933 )
25934 e_2_3_1 = zetb*( c1*e_1_3_0 &
25935 +c3*e_2_3_0&
25936 +6*e_3_3_0 &
25937 )
25938 e_3_3_1 = zetb*( c1*e_2_3_0 &
25939 +c3*e_3_3_0&
25940
25941 )
25942 e_4_3_1 = zetb*( c1*e_3_3_0 &
25943
25944
25945 )
25946 e_0_1_1 = zeta*( &
25947 +c2*e_0_0_1&
25948 +2*e_1_0_1 &
25949 )
25950 e_1_1_1 = zeta*( c1*e_0_0_1 &
25951 +c2*e_1_0_1&
25952
25953 )
25954 e_2_1_1 = zeta*( c1*e_1_0_1 &
25955
25956
25957 )
25958 e_0_2_1 = zeta*( &
25959 +c2*e_0_1_1&
25960 +2*e_1_1_1 &
25961 -2*e_0_0_1)
25962 e_1_2_1 = zeta*( c1*e_0_1_1 &
25963 +c2*e_1_1_1&
25964 +4*e_2_1_1 &
25965 -2*e_1_0_1)
25966 e_2_2_1 = zeta*( c1*e_1_1_1 &
25967 +c2*e_2_1_1&
25968
25969 )
25970 e_3_2_1 = zeta*( c1*e_2_1_1 &
25971
25972
25973 )
25974 e_0_3_1 = zeta*( &
25975 +c2*e_0_2_1&
25976 +2*e_1_2_1 &
25977 -4*e_0_1_1)
25978 e_1_3_1 = zeta*( c1*e_0_2_1 &
25979 +c2*e_1_2_1&
25980 +4*e_2_2_1 &
25981 -4*e_1_1_1)
25982 e_2_3_1 = zeta*( c1*e_1_2_1 &
25983 +c2*e_2_2_1&
25984 +6*e_3_2_1 &
25985 -4*e_2_1_1)
25986 e_3_3_1 = zeta*( c1*e_2_2_1 &
25987 +c2*e_3_2_1&
25988
25989 )
25990 e_4_3_1 = zeta*( c1*e_3_2_1 &
25991
25992
25993 )
25994
25995 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25996 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25997 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25998 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25999 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26000 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26001 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26002 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26003 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26004 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26005 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26006 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26007 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26008 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26009 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26010 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26011 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26012 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26013 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26014 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26015 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26016 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26017 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26018 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26019 r1 = r1 + dr
26020 END DO
26021
26022 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26023 END SUBROUTINE
26024 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_1_exp_0 ( &
26025 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26026 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26027 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26028 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26029 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26030 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26031 r_pow_t, r_tmp, rr1_delta, rr2_delta
26032
26033 REAL(kind=dp) :: c1, c2, c3
26034 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
26035 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
26036 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26037 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26038 & h_to_c_4_5, h_to_c_5_5
26039 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26040 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26041
26042
26043 dr = lgth
26044 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26045
26046 s_r(:, :, :) = 0.0_dp
26047
26048 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26049
26050 h_to_c_0_0 = sqrt(alpha/pi)
26051
26052 h_to_c_0_1 = 0.0_dp
26053 h_to_c_1_1 = +2*alpha*h_to_c_0_0
26054 h_to_c_0_2 = -1*h_to_c_1_1
26055 h_to_c_1_2 = +2*alpha*h_to_c_0_1
26056 h_to_c_2_2 = +2*alpha*h_to_c_1_1
26057 h_to_c_0_3 = -1*h_to_c_1_2
26058 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26059 h_to_c_2_3 = +2*alpha*h_to_c_1_2
26060 h_to_c_3_3 = +2*alpha*h_to_c_2_2
26061 h_to_c_0_4 = -1*h_to_c_1_3
26062 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26063 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26064 h_to_c_3_4 = +2*alpha*h_to_c_2_3
26065 h_to_c_4_4 = +2*alpha*h_to_c_3_3
26066 h_to_c_0_5 = -1*h_to_c_1_4
26067 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26068 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26069 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26070 h_to_c_4_5 = +2*alpha*h_to_c_3_4
26071 h_to_c_5_5 = +2*alpha*h_to_c_4_4
26072
26073
26074 rr1_delta = (ra - rb)/dr
26075
26076 rr1_l = ceiling(-r_c(1) + rr1_delta)
26077 rr1_r = floor(r_c(1) + rr1_delta)
26078
26079 r1 = rr1_l*dr
26080
26081 alpha_e = zeta*zetb/(zeta + zetb)
26082
26083 DO rr1 = rr1_l, rr1_r
26084 s_r_t_0 = 0.0_dp
26085 s_r_t2_0 = 0.0_dp
26086 s_r_t_1 = 0.0_dp
26087 s_r_t2_1 = 0.0_dp
26088 s_r_t_2 = 0.0_dp
26089 s_r_t2_2 = 0.0_dp
26090 s_r_t_3 = 0.0_dp
26091 s_r_t2_3 = 0.0_dp
26092 s_r_t_4 = 0.0_dp
26093 s_r_t2_4 = 0.0_dp
26094 s_r_t_5 = 0.0_dp
26095 s_r_t2_5 = 0.0_dp
26096 r_tmp = r_offset + r1*zeta/(zeta + zetb)
26097 rr2_delta = -r_tmp/dr
26098
26099 rr2_l = ceiling(-r_c(2) + rr2_delta)
26100 rr2_r = floor(r_c(2) + rr2_delta)
26101
26102 r = r_tmp + (rr2_l)*dr
26103
26104
26105 DO rr2 = rr2_l, rr2_r
26106 r_pow_t = 1.0_dp
26107 exp2_rsq = exp(-alpha*r*r)
26108 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26109 r_pow_t = r_pow_t*r
26110 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26111 r_pow_t = r_pow_t*r
26112 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26113 r_pow_t = r_pow_t*r
26114 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26115 r_pow_t = r_pow_t*r
26116 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26117 r_pow_t = r_pow_t*r
26118 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26119
26120 r = r + dr
26121 END DO
26122
26123 ! C --> H
26124 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26125 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26126 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26127 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26128 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26129 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26130 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26131 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26132 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26133 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26134 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26135 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26136 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26137 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26138 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26139 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26140 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26141 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26142 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26143 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26144 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26145
26146 ! H --> HH
26147 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26148
26149 c1 = 1.0_dp/(zeta + zetb)
26150 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26151 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26152
26153 e_0_1_0 = zeta*( &
26154 +c2*e_0_0_0&
26155
26156 )
26157 e_0_0_1 = zetb*( &
26158 +c3*e_0_0_0&
26159
26160 )
26161 e_1_1_0 = zeta*( c1*e_0_0_0 &
26162
26163
26164 )
26165 e_1_0_1 = zetb*( c1*e_0_0_0 &
26166
26167
26168 )
26169 e_0_2_0 = zeta*( &
26170 +c2*e_0_1_0&
26171 +2*e_1_1_0 &
26172 -2*e_0_0_0)
26173 e_0_1_1 = zetb*( &
26174 +c3*e_0_1_0&
26175 +2*e_1_1_0 &
26176 )
26177 e_1_2_0 = zeta*( c1*e_0_1_0 &
26178 +c2*e_1_1_0&
26179
26180 )
26181 e_1_1_1 = zetb*( c1*e_0_1_0 &
26182 +c3*e_1_1_0&
26183
26184 )
26185 e_2_2_0 = zeta*( c1*e_1_1_0 &
26186
26187
26188 )
26189 e_2_1_1 = zetb*( c1*e_1_1_0 &
26190
26191
26192 )
26193 e_0_3_0 = zeta*( &
26194 +c2*e_0_2_0&
26195 +2*e_1_2_0 &
26196 -4*e_0_1_0)
26197 e_0_2_1 = zetb*( &
26198 +c3*e_0_2_0&
26199 +2*e_1_2_0 &
26200 )
26201 e_1_3_0 = zeta*( c1*e_0_2_0 &
26202 +c2*e_1_2_0&
26203 +4*e_2_2_0 &
26204 -4*e_1_1_0)
26205 e_1_2_1 = zetb*( c1*e_0_2_0 &
26206 +c3*e_1_2_0&
26207 +4*e_2_2_0 &
26208 )
26209 e_2_3_0 = zeta*( c1*e_1_2_0 &
26210 +c2*e_2_2_0&
26211
26212 )
26213 e_2_2_1 = zetb*( c1*e_1_2_0 &
26214 +c3*e_2_2_0&
26215
26216 )
26217 e_3_3_0 = zeta*( c1*e_2_2_0 &
26218
26219
26220 )
26221 e_3_2_1 = zetb*( c1*e_2_2_0 &
26222
26223
26224 )
26225 e_0_3_1 = zetb*( &
26226 +c3*e_0_3_0&
26227 +2*e_1_3_0 &
26228 )
26229 e_1_3_1 = zetb*( c1*e_0_3_0 &
26230 +c3*e_1_3_0&
26231 +4*e_2_3_0 &
26232 )
26233 e_2_3_1 = zetb*( c1*e_1_3_0 &
26234 +c3*e_2_3_0&
26235 +6*e_3_3_0 &
26236 )
26237 e_3_3_1 = zetb*( c1*e_2_3_0 &
26238 +c3*e_3_3_0&
26239
26240 )
26241 e_4_3_1 = zetb*( c1*e_3_3_0 &
26242
26243
26244 )
26245 e_0_1_1 = zeta*( &
26246 +c2*e_0_0_1&
26247 +2*e_1_0_1 &
26248 )
26249 e_1_1_1 = zeta*( c1*e_0_0_1 &
26250 +c2*e_1_0_1&
26251
26252 )
26253 e_2_1_1 = zeta*( c1*e_1_0_1 &
26254
26255
26256 )
26257 e_0_2_1 = zeta*( &
26258 +c2*e_0_1_1&
26259 +2*e_1_1_1 &
26260 -2*e_0_0_1)
26261 e_1_2_1 = zeta*( c1*e_0_1_1 &
26262 +c2*e_1_1_1&
26263 +4*e_2_1_1 &
26264 -2*e_1_0_1)
26265 e_2_2_1 = zeta*( c1*e_1_1_1 &
26266 +c2*e_2_1_1&
26267
26268 )
26269 e_3_2_1 = zeta*( c1*e_2_1_1 &
26270
26271
26272 )
26273 e_0_3_1 = zeta*( &
26274 +c2*e_0_2_1&
26275 +2*e_1_2_1 &
26276 -4*e_0_1_1)
26277 e_1_3_1 = zeta*( c1*e_0_2_1 &
26278 +c2*e_1_2_1&
26279 +4*e_2_2_1 &
26280 -4*e_1_1_1)
26281 e_2_3_1 = zeta*( c1*e_1_2_1 &
26282 +c2*e_2_2_1&
26283 +6*e_3_2_1 &
26284 -4*e_2_1_1)
26285 e_3_3_1 = zeta*( c1*e_2_2_1 &
26286 +c2*e_3_2_1&
26287
26288 )
26289 e_4_3_1 = zeta*( c1*e_3_2_1 &
26290
26291
26292 )
26293
26294 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
26295 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
26296 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
26297 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
26298 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26299 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26300 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26301 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26302 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26303 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26304 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26305 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26306 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26307 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26308 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26309 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26310 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26311 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26312 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26313 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26314 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26315 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26316 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26317 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26318 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
26319 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
26320 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
26321 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
26322 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
26323 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
26324 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
26325 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
26326 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
26327 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
26328 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
26329 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
26330 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
26331 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
26332 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
26333 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
26334 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
26335 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
26336 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
26337 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
26338 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
26339 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
26340 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
26341 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
26342 r1 = r1 + dr
26343 END DO
26344
26345 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26346 END SUBROUTINE
26347 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_2_exp_0 ( &
26348 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26349 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26350 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26351 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26352 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26353 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26354 r_pow_t, r_tmp, rr1_delta, rr2_delta
26355
26356 REAL(kind=dp) :: c1, c2, c3
26357 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
26358 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
26359 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26360 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26361 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
26362 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26363 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26364
26365
26366 dr = lgth
26367 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26368
26369 s_r(:, :, :) = 0.0_dp
26370
26371 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26372
26373 h_to_c_0_0 = sqrt(alpha/pi)
26374
26375 h_to_c_0_1 = 0.0_dp
26376 h_to_c_1_1 = +2*alpha*h_to_c_0_0
26377 h_to_c_0_2 = -1*h_to_c_1_1
26378 h_to_c_1_2 = +2*alpha*h_to_c_0_1
26379 h_to_c_2_2 = +2*alpha*h_to_c_1_1
26380 h_to_c_0_3 = -1*h_to_c_1_2
26381 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26382 h_to_c_2_3 = +2*alpha*h_to_c_1_2
26383 h_to_c_3_3 = +2*alpha*h_to_c_2_2
26384 h_to_c_0_4 = -1*h_to_c_1_3
26385 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26386 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26387 h_to_c_3_4 = +2*alpha*h_to_c_2_3
26388 h_to_c_4_4 = +2*alpha*h_to_c_3_3
26389 h_to_c_0_5 = -1*h_to_c_1_4
26390 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26391 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26392 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26393 h_to_c_4_5 = +2*alpha*h_to_c_3_4
26394 h_to_c_5_5 = +2*alpha*h_to_c_4_4
26395 h_to_c_0_6 = -1*h_to_c_1_5
26396 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
26397 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
26398 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
26399 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
26400 h_to_c_5_6 = +2*alpha*h_to_c_4_5
26401 h_to_c_6_6 = +2*alpha*h_to_c_5_5
26402
26403
26404 rr1_delta = (ra - rb)/dr
26405
26406 rr1_l = ceiling(-r_c(1) + rr1_delta)
26407 rr1_r = floor(r_c(1) + rr1_delta)
26408
26409 r1 = rr1_l*dr
26410
26411 alpha_e = zeta*zetb/(zeta + zetb)
26412
26413 DO rr1 = rr1_l, rr1_r
26414 s_r_t_0 = 0.0_dp
26415 s_r_t2_0 = 0.0_dp
26416 s_r_t_1 = 0.0_dp
26417 s_r_t2_1 = 0.0_dp
26418 s_r_t_2 = 0.0_dp
26419 s_r_t2_2 = 0.0_dp
26420 s_r_t_3 = 0.0_dp
26421 s_r_t2_3 = 0.0_dp
26422 s_r_t_4 = 0.0_dp
26423 s_r_t2_4 = 0.0_dp
26424 s_r_t_5 = 0.0_dp
26425 s_r_t2_5 = 0.0_dp
26426 s_r_t_6 = 0.0_dp
26427 s_r_t2_6 = 0.0_dp
26428 r_tmp = r_offset + r1*zeta/(zeta + zetb)
26429 rr2_delta = -r_tmp/dr
26430
26431 rr2_l = ceiling(-r_c(2) + rr2_delta)
26432 rr2_r = floor(r_c(2) + rr2_delta)
26433
26434 r = r_tmp + (rr2_l)*dr
26435
26436
26437 DO rr2 = rr2_l, rr2_r
26438 r_pow_t = 1.0_dp
26439 exp2_rsq = exp(-alpha*r*r)
26440 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26441 r_pow_t = r_pow_t*r
26442 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26443 r_pow_t = r_pow_t*r
26444 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26445 r_pow_t = r_pow_t*r
26446 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26447 r_pow_t = r_pow_t*r
26448 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26449 r_pow_t = r_pow_t*r
26450 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26451 r_pow_t = r_pow_t*r
26452 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
26453
26454 r = r + dr
26455 END DO
26456
26457 ! C --> H
26458 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26459 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26460 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26461 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26462 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26463 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26464 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26465 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26466 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26467 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26468 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26469 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26470 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26471 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26472 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26473 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26474 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26475 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26476 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26477 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26478 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26479 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
26480 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
26481 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
26482 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
26483 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
26484 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
26485 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
26486
26487 ! H --> HH
26488 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26489
26490 c1 = 1.0_dp/(zeta + zetb)
26491 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26492 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26493
26494 e_0_1_0 = zeta*( &
26495 +c2*e_0_0_0&
26496
26497 )
26498 e_0_0_1 = zetb*( &
26499 +c3*e_0_0_0&
26500
26501 )
26502 e_1_1_0 = zeta*( c1*e_0_0_0 &
26503
26504
26505 )
26506 e_1_0_1 = zetb*( c1*e_0_0_0 &
26507
26508
26509 )
26510 e_0_2_0 = zeta*( &
26511 +c2*e_0_1_0&
26512 +2*e_1_1_0 &
26513 -2*e_0_0_0)
26514 e_0_1_1 = zetb*( &
26515 +c3*e_0_1_0&
26516 +2*e_1_1_0 &
26517 )
26518 e_1_2_0 = zeta*( c1*e_0_1_0 &
26519 +c2*e_1_1_0&
26520
26521 )
26522 e_1_1_1 = zetb*( c1*e_0_1_0 &
26523 +c3*e_1_1_0&
26524
26525 )
26526 e_2_2_0 = zeta*( c1*e_1_1_0 &
26527
26528
26529 )
26530 e_2_1_1 = zetb*( c1*e_1_1_0 &
26531
26532
26533 )
26534 e_0_3_0 = zeta*( &
26535 +c2*e_0_2_0&
26536 +2*e_1_2_0 &
26537 -4*e_0_1_0)
26538 e_0_2_1 = zetb*( &
26539 +c3*e_0_2_0&
26540 +2*e_1_2_0 &
26541 )
26542 e_1_3_0 = zeta*( c1*e_0_2_0 &
26543 +c2*e_1_2_0&
26544 +4*e_2_2_0 &
26545 -4*e_1_1_0)
26546 e_1_2_1 = zetb*( c1*e_0_2_0 &
26547 +c3*e_1_2_0&
26548 +4*e_2_2_0 &
26549 )
26550 e_2_3_0 = zeta*( c1*e_1_2_0 &
26551 +c2*e_2_2_0&
26552
26553 )
26554 e_2_2_1 = zetb*( c1*e_1_2_0 &
26555 +c3*e_2_2_0&
26556
26557 )
26558 e_3_3_0 = zeta*( c1*e_2_2_0 &
26559
26560
26561 )
26562 e_3_2_1 = zetb*( c1*e_2_2_0 &
26563
26564
26565 )
26566 e_0_3_1 = zetb*( &
26567 +c3*e_0_3_0&
26568 +2*e_1_3_0 &
26569 )
26570 e_1_3_1 = zetb*( c1*e_0_3_0 &
26571 +c3*e_1_3_0&
26572 +4*e_2_3_0 &
26573 )
26574 e_2_3_1 = zetb*( c1*e_1_3_0 &
26575 +c3*e_2_3_0&
26576 +6*e_3_3_0 &
26577 )
26578 e_3_3_1 = zetb*( c1*e_2_3_0 &
26579 +c3*e_3_3_0&
26580
26581 )
26582 e_4_3_1 = zetb*( c1*e_3_3_0 &
26583
26584
26585 )
26586 e_0_1_1 = zeta*( &
26587 +c2*e_0_0_1&
26588 +2*e_1_0_1 &
26589 )
26590 e_1_1_1 = zeta*( c1*e_0_0_1 &
26591 +c2*e_1_0_1&
26592
26593 )
26594 e_2_1_1 = zeta*( c1*e_1_0_1 &
26595
26596
26597 )
26598 e_0_2_1 = zeta*( &
26599 +c2*e_0_1_1&
26600 +2*e_1_1_1 &
26601 -2*e_0_0_1)
26602 e_1_2_1 = zeta*( c1*e_0_1_1 &
26603 +c2*e_1_1_1&
26604 +4*e_2_1_1 &
26605 -2*e_1_0_1)
26606 e_2_2_1 = zeta*( c1*e_1_1_1 &
26607 +c2*e_2_1_1&
26608
26609 )
26610 e_3_2_1 = zeta*( c1*e_2_1_1 &
26611
26612
26613 )
26614 e_0_3_1 = zeta*( &
26615 +c2*e_0_2_1&
26616 +2*e_1_2_1 &
26617 -4*e_0_1_1)
26618 e_1_3_1 = zeta*( c1*e_0_2_1 &
26619 +c2*e_1_2_1&
26620 +4*e_2_2_1 &
26621 -4*e_1_1_1)
26622 e_2_3_1 = zeta*( c1*e_1_2_1 &
26623 +c2*e_2_2_1&
26624 +6*e_3_2_1 &
26625 -4*e_2_1_1)
26626 e_3_3_1 = zeta*( c1*e_2_2_1 &
26627 +c2*e_3_2_1&
26628
26629 )
26630 e_4_3_1 = zeta*( c1*e_3_2_1 &
26631
26632
26633 )
26634
26635 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
26636 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
26637 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
26638 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
26639 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26640 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26641 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26642 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26643 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26644 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26645 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26646 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26647 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26648 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26649 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26650 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26651 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26652 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26653 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26654 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26655 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26656 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26657 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26658 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26659 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
26660 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
26661 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
26662 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
26663 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
26664 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
26665 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
26666 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
26667 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
26668 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
26669 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
26670 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
26671 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
26672 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
26673 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
26674 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
26675 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
26676 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
26677 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
26678 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
26679 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
26680 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
26681 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
26682 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
26683 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
26684 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
26685 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
26686 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26687 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
26688 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
26689 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26690 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26691 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
26692 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
26693 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
26694 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
26695 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26696 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
26697 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
26698 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26699 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26700 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
26701 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
26702 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26703 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26704 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26705 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
26706 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
26707 r1 = r1 + dr
26708 END DO
26709
26710 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26711 END SUBROUTINE
26712 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_3_exp_0 ( &
26713 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26714 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26715 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26716 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26717 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26718 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26719 r_pow_t, r_tmp, rr1_delta, rr2_delta
26720
26721 REAL(kind=dp) :: c1, c2, c3
26722 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
26723 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
26724 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26725 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26726 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
26727 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
26728 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26729 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26730
26731
26732 dr = lgth
26733 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26734
26735 s_r(:, :, :) = 0.0_dp
26736
26737 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26738
26739 h_to_c_0_0 = sqrt(alpha/pi)
26740
26741 h_to_c_0_1 = 0.0_dp
26742 h_to_c_1_1 = +2*alpha*h_to_c_0_0
26743 h_to_c_0_2 = -1*h_to_c_1_1
26744 h_to_c_1_2 = +2*alpha*h_to_c_0_1
26745 h_to_c_2_2 = +2*alpha*h_to_c_1_1
26746 h_to_c_0_3 = -1*h_to_c_1_2
26747 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26748 h_to_c_2_3 = +2*alpha*h_to_c_1_2
26749 h_to_c_3_3 = +2*alpha*h_to_c_2_2
26750 h_to_c_0_4 = -1*h_to_c_1_3
26751 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26752 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26753 h_to_c_3_4 = +2*alpha*h_to_c_2_3
26754 h_to_c_4_4 = +2*alpha*h_to_c_3_3
26755 h_to_c_0_5 = -1*h_to_c_1_4
26756 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26757 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26758 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26759 h_to_c_4_5 = +2*alpha*h_to_c_3_4
26760 h_to_c_5_5 = +2*alpha*h_to_c_4_4
26761 h_to_c_0_6 = -1*h_to_c_1_5
26762 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
26763 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
26764 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
26765 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
26766 h_to_c_5_6 = +2*alpha*h_to_c_4_5
26767 h_to_c_6_6 = +2*alpha*h_to_c_5_5
26768 h_to_c_0_7 = -1*h_to_c_1_6
26769 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
26770 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
26771 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
26772 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
26773 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
26774 h_to_c_6_7 = +2*alpha*h_to_c_5_6
26775 h_to_c_7_7 = +2*alpha*h_to_c_6_6
26776
26777
26778 rr1_delta = (ra - rb)/dr
26779
26780 rr1_l = ceiling(-r_c(1) + rr1_delta)
26781 rr1_r = floor(r_c(1) + rr1_delta)
26782
26783 r1 = rr1_l*dr
26784
26785 alpha_e = zeta*zetb/(zeta + zetb)
26786
26787 DO rr1 = rr1_l, rr1_r
26788 s_r_t_0 = 0.0_dp
26789 s_r_t2_0 = 0.0_dp
26790 s_r_t_1 = 0.0_dp
26791 s_r_t2_1 = 0.0_dp
26792 s_r_t_2 = 0.0_dp
26793 s_r_t2_2 = 0.0_dp
26794 s_r_t_3 = 0.0_dp
26795 s_r_t2_3 = 0.0_dp
26796 s_r_t_4 = 0.0_dp
26797 s_r_t2_4 = 0.0_dp
26798 s_r_t_5 = 0.0_dp
26799 s_r_t2_5 = 0.0_dp
26800 s_r_t_6 = 0.0_dp
26801 s_r_t2_6 = 0.0_dp
26802 s_r_t_7 = 0.0_dp
26803 s_r_t2_7 = 0.0_dp
26804 r_tmp = r_offset + r1*zeta/(zeta + zetb)
26805 rr2_delta = -r_tmp/dr
26806
26807 rr2_l = ceiling(-r_c(2) + rr2_delta)
26808 rr2_r = floor(r_c(2) + rr2_delta)
26809
26810 r = r_tmp + (rr2_l)*dr
26811
26812
26813 DO rr2 = rr2_l, rr2_r
26814 r_pow_t = 1.0_dp
26815 exp2_rsq = exp(-alpha*r*r)
26816 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26817 r_pow_t = r_pow_t*r
26818 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26819 r_pow_t = r_pow_t*r
26820 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26821 r_pow_t = r_pow_t*r
26822 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26823 r_pow_t = r_pow_t*r
26824 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26825 r_pow_t = r_pow_t*r
26826 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26827 r_pow_t = r_pow_t*r
26828 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
26829 r_pow_t = r_pow_t*r
26830 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
26831
26832 r = r + dr
26833 END DO
26834
26835 ! C --> H
26836 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26837 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26838 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26839 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26840 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26841 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26842 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26843 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26844 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26845 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26846 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26847 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26848 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26849 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26850 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26851 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26852 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26853 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26854 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26855 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26856 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26857 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
26858 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
26859 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
26860 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
26861 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
26862 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
26863 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
26864 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
26865 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
26866 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
26867 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
26868 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
26869 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
26870 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
26871 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
26872
26873 ! H --> HH
26874 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26875
26876 c1 = 1.0_dp/(zeta + zetb)
26877 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26878 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26879
26880 e_0_1_0 = zeta*( &
26881 +c2*e_0_0_0&
26882
26883 )
26884 e_0_0_1 = zetb*( &
26885 +c3*e_0_0_0&
26886
26887 )
26888 e_1_1_0 = zeta*( c1*e_0_0_0 &
26889
26890
26891 )
26892 e_1_0_1 = zetb*( c1*e_0_0_0 &
26893
26894
26895 )
26896 e_0_2_0 = zeta*( &
26897 +c2*e_0_1_0&
26898 +2*e_1_1_0 &
26899 -2*e_0_0_0)
26900 e_0_1_1 = zetb*( &
26901 +c3*e_0_1_0&
26902 +2*e_1_1_0 &
26903 )
26904 e_1_2_0 = zeta*( c1*e_0_1_0 &
26905 +c2*e_1_1_0&
26906
26907 )
26908 e_1_1_1 = zetb*( c1*e_0_1_0 &
26909 +c3*e_1_1_0&
26910
26911 )
26912 e_2_2_0 = zeta*( c1*e_1_1_0 &
26913
26914
26915 )
26916 e_2_1_1 = zetb*( c1*e_1_1_0 &
26917
26918
26919 )
26920 e_0_3_0 = zeta*( &
26921 +c2*e_0_2_0&
26922 +2*e_1_2_0 &
26923 -4*e_0_1_0)
26924 e_0_2_1 = zetb*( &
26925 +c3*e_0_2_0&
26926 +2*e_1_2_0 &
26927 )
26928 e_1_3_0 = zeta*( c1*e_0_2_0 &
26929 +c2*e_1_2_0&
26930 +4*e_2_2_0 &
26931 -4*e_1_1_0)
26932 e_1_2_1 = zetb*( c1*e_0_2_0 &
26933 +c3*e_1_2_0&
26934 +4*e_2_2_0 &
26935 )
26936 e_2_3_0 = zeta*( c1*e_1_2_0 &
26937 +c2*e_2_2_0&
26938
26939 )
26940 e_2_2_1 = zetb*( c1*e_1_2_0 &
26941 +c3*e_2_2_0&
26942
26943 )
26944 e_3_3_0 = zeta*( c1*e_2_2_0 &
26945
26946
26947 )
26948 e_3_2_1 = zetb*( c1*e_2_2_0 &
26949
26950
26951 )
26952 e_0_3_1 = zetb*( &
26953 +c3*e_0_3_0&
26954 +2*e_1_3_0 &
26955 )
26956 e_1_3_1 = zetb*( c1*e_0_3_0 &
26957 +c3*e_1_3_0&
26958 +4*e_2_3_0 &
26959 )
26960 e_2_3_1 = zetb*( c1*e_1_3_0 &
26961 +c3*e_2_3_0&
26962 +6*e_3_3_0 &
26963 )
26964 e_3_3_1 = zetb*( c1*e_2_3_0 &
26965 +c3*e_3_3_0&
26966
26967 )
26968 e_4_3_1 = zetb*( c1*e_3_3_0 &
26969
26970
26971 )
26972 e_0_1_1 = zeta*( &
26973 +c2*e_0_0_1&
26974 +2*e_1_0_1 &
26975 )
26976 e_1_1_1 = zeta*( c1*e_0_0_1 &
26977 +c2*e_1_0_1&
26978
26979 )
26980 e_2_1_1 = zeta*( c1*e_1_0_1 &
26981
26982
26983 )
26984 e_0_2_1 = zeta*( &
26985 +c2*e_0_1_1&
26986 +2*e_1_1_1 &
26987 -2*e_0_0_1)
26988 e_1_2_1 = zeta*( c1*e_0_1_1 &
26989 +c2*e_1_1_1&
26990 +4*e_2_1_1 &
26991 -2*e_1_0_1)
26992 e_2_2_1 = zeta*( c1*e_1_1_1 &
26993 +c2*e_2_1_1&
26994
26995 )
26996 e_3_2_1 = zeta*( c1*e_2_1_1 &
26997
26998
26999 )
27000 e_0_3_1 = zeta*( &
27001 +c2*e_0_2_1&
27002 +2*e_1_2_1 &
27003 -4*e_0_1_1)
27004 e_1_3_1 = zeta*( c1*e_0_2_1 &
27005 +c2*e_1_2_1&
27006 +4*e_2_2_1 &
27007 -4*e_1_1_1)
27008 e_2_3_1 = zeta*( c1*e_1_2_1 &
27009 +c2*e_2_2_1&
27010 +6*e_3_2_1 &
27011 -4*e_2_1_1)
27012 e_3_3_1 = zeta*( c1*e_2_2_1 &
27013 +c2*e_3_2_1&
27014
27015 )
27016 e_4_3_1 = zeta*( c1*e_3_2_1 &
27017
27018
27019 )
27020
27021 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27022 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27023 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27024 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27025 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27026 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27027 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27028 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27029 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27030 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27031 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27032 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27033 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27034 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27035 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27036 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27037 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
27038 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27039 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27040 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
27041 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
27042 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27043 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27044 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27045 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
27046 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
27047 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
27048 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
27049 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
27050 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27051 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
27052 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
27053 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27054 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27055 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
27056 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
27057 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
27058 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
27059 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27060 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
27061 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
27062 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27063 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27064 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
27065 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
27066 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27067 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27068 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27069 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
27070 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
27071 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
27072 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27073 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
27074 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27075 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27076 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27077 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27078 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27079 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
27080 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
27081 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27082 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
27083 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27084 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27085 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27086 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27087 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27088 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27089 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27090 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27091 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27092 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27093 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
27094 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
27095 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
27096 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27097 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
27098 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
27099 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27100 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27101 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
27102 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
27103 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
27104 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
27105 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27106 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
27107 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
27108 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27109 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27110 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
27111 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
27112 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27113 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27114 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27115 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
27116 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
27117 r1 = r1 + dr
27118 END DO
27119
27120 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
27121 END SUBROUTINE
27122 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_4_exp_0 ( &
27123 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
27124 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
27125 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
27126 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
27127 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
27128 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
27129 r_pow_t, r_tmp, rr1_delta, rr2_delta
27130
27131 REAL(kind=dp) :: c1, c2, c3
27132 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
27133 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
27134 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
27135 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
27136 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
27137 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
27138 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
27139 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
27140 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
27141
27142
27143 dr = lgth
27144 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
27145
27146 s_r(:, :, :) = 0.0_dp
27147
27148 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
27149
27150 h_to_c_0_0 = sqrt(alpha/pi)
27151
27152 h_to_c_0_1 = 0.0_dp
27153 h_to_c_1_1 = +2*alpha*h_to_c_0_0
27154 h_to_c_0_2 = -1*h_to_c_1_1
27155 h_to_c_1_2 = +2*alpha*h_to_c_0_1
27156 h_to_c_2_2 = +2*alpha*h_to_c_1_1
27157 h_to_c_0_3 = -1*h_to_c_1_2
27158 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
27159 h_to_c_2_3 = +2*alpha*h_to_c_1_2
27160 h_to_c_3_3 = +2*alpha*h_to_c_2_2
27161 h_to_c_0_4 = -1*h_to_c_1_3
27162 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
27163 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
27164 h_to_c_3_4 = +2*alpha*h_to_c_2_3
27165 h_to_c_4_4 = +2*alpha*h_to_c_3_3
27166 h_to_c_0_5 = -1*h_to_c_1_4
27167 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
27168 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
27169 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
27170 h_to_c_4_5 = +2*alpha*h_to_c_3_4
27171 h_to_c_5_5 = +2*alpha*h_to_c_4_4
27172 h_to_c_0_6 = -1*h_to_c_1_5
27173 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
27174 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
27175 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
27176 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
27177 h_to_c_5_6 = +2*alpha*h_to_c_4_5
27178 h_to_c_6_6 = +2*alpha*h_to_c_5_5
27179 h_to_c_0_7 = -1*h_to_c_1_6
27180 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
27181 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
27182 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
27183 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
27184 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
27185 h_to_c_6_7 = +2*alpha*h_to_c_5_6
27186 h_to_c_7_7 = +2*alpha*h_to_c_6_6
27187 h_to_c_0_8 = -1*h_to_c_1_7
27188 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
27189 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
27190 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
27191 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
27192 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
27193 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
27194 h_to_c_7_8 = +2*alpha*h_to_c_6_7
27195 h_to_c_8_8 = +2*alpha*h_to_c_7_7
27196
27197
27198 rr1_delta = (ra - rb)/dr
27199
27200 rr1_l = ceiling(-r_c(1) + rr1_delta)
27201 rr1_r = floor(r_c(1) + rr1_delta)
27202
27203 r1 = rr1_l*dr
27204
27205 alpha_e = zeta*zetb/(zeta + zetb)
27206
27207 DO rr1 = rr1_l, rr1_r
27208 s_r_t_0 = 0.0_dp
27209 s_r_t2_0 = 0.0_dp
27210 s_r_t_1 = 0.0_dp
27211 s_r_t2_1 = 0.0_dp
27212 s_r_t_2 = 0.0_dp
27213 s_r_t2_2 = 0.0_dp
27214 s_r_t_3 = 0.0_dp
27215 s_r_t2_3 = 0.0_dp
27216 s_r_t_4 = 0.0_dp
27217 s_r_t2_4 = 0.0_dp
27218 s_r_t_5 = 0.0_dp
27219 s_r_t2_5 = 0.0_dp
27220 s_r_t_6 = 0.0_dp
27221 s_r_t2_6 = 0.0_dp
27222 s_r_t_7 = 0.0_dp
27223 s_r_t2_7 = 0.0_dp
27224 s_r_t_8 = 0.0_dp
27225 s_r_t2_8 = 0.0_dp
27226 r_tmp = r_offset + r1*zeta/(zeta + zetb)
27227 rr2_delta = -r_tmp/dr
27228
27229 rr2_l = ceiling(-r_c(2) + rr2_delta)
27230 rr2_r = floor(r_c(2) + rr2_delta)
27231
27232 r = r_tmp + (rr2_l)*dr
27233
27234
27235 DO rr2 = rr2_l, rr2_r
27236 r_pow_t = 1.0_dp
27237 exp2_rsq = exp(-alpha*r*r)
27238 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
27239 r_pow_t = r_pow_t*r
27240 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
27241 r_pow_t = r_pow_t*r
27242 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
27243 r_pow_t = r_pow_t*r
27244 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
27245 r_pow_t = r_pow_t*r
27246 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
27247 r_pow_t = r_pow_t*r
27248 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
27249 r_pow_t = r_pow_t*r
27250 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
27251 r_pow_t = r_pow_t*r
27252 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
27253 r_pow_t = r_pow_t*r
27254 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
27255
27256 r = r + dr
27257 END DO
27258
27259 ! C --> H
27260 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
27261 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
27262 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
27263 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
27264 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
27265 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
27266 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
27267 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
27268 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
27269 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
27270 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
27271 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
27272 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
27273 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
27274 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
27275 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
27276 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
27277 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
27278 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
27279 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
27280 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
27281 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
27282 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
27283 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
27284 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
27285 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
27286 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
27287 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
27288 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
27289 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
27290 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
27291 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
27292 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
27293 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
27294 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
27295 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
27296 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
27297 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
27298 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
27299 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
27300 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
27301 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
27302 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
27303 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
27304 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
27305
27306 ! H --> HH
27307 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
27308
27309 c1 = 1.0_dp/(zeta + zetb)
27310 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
27311 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
27312
27313 e_0_1_0 = zeta*( &
27314 +c2*e_0_0_0&
27315
27316 )
27317 e_0_0_1 = zetb*( &
27318 +c3*e_0_0_0&
27319
27320 )
27321 e_1_1_0 = zeta*( c1*e_0_0_0 &
27322
27323
27324 )
27325 e_1_0_1 = zetb*( c1*e_0_0_0 &
27326
27327
27328 )
27329 e_0_2_0 = zeta*( &
27330 +c2*e_0_1_0&
27331 +2*e_1_1_0 &
27332 -2*e_0_0_0)
27333 e_0_1_1 = zetb*( &
27334 +c3*e_0_1_0&
27335 +2*e_1_1_0 &
27336 )
27337 e_1_2_0 = zeta*( c1*e_0_1_0 &
27338 +c2*e_1_1_0&
27339
27340 )
27341 e_1_1_1 = zetb*( c1*e_0_1_0 &
27342 +c3*e_1_1_0&
27343
27344 )
27345 e_2_2_0 = zeta*( c1*e_1_1_0 &
27346
27347
27348 )
27349 e_2_1_1 = zetb*( c1*e_1_1_0 &
27350
27351
27352 )
27353 e_0_3_0 = zeta*( &
27354 +c2*e_0_2_0&
27355 +2*e_1_2_0 &
27356 -4*e_0_1_0)
27357 e_0_2_1 = zetb*( &
27358 +c3*e_0_2_0&
27359 +2*e_1_2_0 &
27360 )
27361 e_1_3_0 = zeta*( c1*e_0_2_0 &
27362 +c2*e_1_2_0&
27363 +4*e_2_2_0 &
27364 -4*e_1_1_0)
27365 e_1_2_1 = zetb*( c1*e_0_2_0 &
27366 +c3*e_1_2_0&
27367 +4*e_2_2_0 &
27368 )
27369 e_2_3_0 = zeta*( c1*e_1_2_0 &
27370 +c2*e_2_2_0&
27371
27372 )
27373 e_2_2_1 = zetb*( c1*e_1_2_0 &
27374 +c3*e_2_2_0&
27375
27376 )
27377 e_3_3_0 = zeta*( c1*e_2_2_0 &
27378
27379
27380 )
27381 e_3_2_1 = zetb*( c1*e_2_2_0 &
27382
27383
27384 )
27385 e_0_3_1 = zetb*( &
27386 +c3*e_0_3_0&
27387 +2*e_1_3_0 &
27388 )
27389 e_1_3_1 = zetb*( c1*e_0_3_0 &
27390 +c3*e_1_3_0&
27391 +4*e_2_3_0 &
27392 )
27393 e_2_3_1 = zetb*( c1*e_1_3_0 &
27394 +c3*e_2_3_0&
27395 +6*e_3_3_0 &
27396 )
27397 e_3_3_1 = zetb*( c1*e_2_3_0 &
27398 +c3*e_3_3_0&
27399
27400 )
27401 e_4_3_1 = zetb*( c1*e_3_3_0 &
27402
27403
27404 )
27405 e_0_1_1 = zeta*( &
27406 +c2*e_0_0_1&
27407 +2*e_1_0_1 &
27408 )
27409 e_1_1_1 = zeta*( c1*e_0_0_1 &
27410 +c2*e_1_0_1&
27411
27412 )
27413 e_2_1_1 = zeta*( c1*e_1_0_1 &
27414
27415
27416 )
27417 e_0_2_1 = zeta*( &
27418 +c2*e_0_1_1&
27419 +2*e_1_1_1 &
27420 -2*e_0_0_1)
27421 e_1_2_1 = zeta*( c1*e_0_1_1 &
27422 +c2*e_1_1_1&
27423 +4*e_2_1_1 &
27424 -2*e_1_0_1)
27425 e_2_2_1 = zeta*( c1*e_1_1_1 &
27426 +c2*e_2_1_1&
27427
27428 )
27429 e_3_2_1 = zeta*( c1*e_2_1_1 &
27430
27431
27432 )
27433 e_0_3_1 = zeta*( &
27434 +c2*e_0_2_1&
27435 +2*e_1_2_1 &
27436 -4*e_0_1_1)
27437 e_1_3_1 = zeta*( c1*e_0_2_1 &
27438 +c2*e_1_2_1&
27439 +4*e_2_2_1 &
27440 -4*e_1_1_1)
27441 e_2_3_1 = zeta*( c1*e_1_2_1 &
27442 +c2*e_2_2_1&
27443 +6*e_3_2_1 &
27444 -4*e_2_1_1)
27445 e_3_3_1 = zeta*( c1*e_2_2_1 &
27446 +c2*e_3_2_1&
27447
27448 )
27449 e_4_3_1 = zeta*( c1*e_3_2_1 &
27450
27451
27452 )
27453
27454 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27455 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27456 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27457 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27458 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27459 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27460 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27461 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27462 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27463 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27464 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27465 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27466 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27467 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27468 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27469 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27470 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
27471 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27472 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27473 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
27474 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
27475 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27476 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27477 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27478 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
27479 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
27480 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
27481 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
27482 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
27483 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27484 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
27485 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
27486 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27487 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27488 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
27489 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
27490 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
27491 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
27492 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27493 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
27494 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
27495 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27496 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27497 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
27498 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
27499 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27500 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27501 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27502 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
27503 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
27504 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
27505 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27506 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
27507 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27508 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27509 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27510 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27511 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27512 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
27513 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
27514 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27515 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
27516 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27517 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27518 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27519 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27520 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27521 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27522 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27523 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27524 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27525 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27526 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
27527 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
27528 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
27529 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27530 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
27531 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
27532 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27533 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27534 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
27535 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
27536 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
27537 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
27538 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27539 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
27540 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
27541 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27542 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27543 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
27544 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
27545 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27546 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27547 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27548 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
27549 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
27550 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
27551 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
27552 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
27553 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27554 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
27555 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
27556 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27557 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27558 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
27559 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
27560 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
27561 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
27562 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27563 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
27564 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
27565 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27566 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27567 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
27568 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
27569 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27570 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27571 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27572 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
27573 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
27574 r1 = r1 + dr
27575 END DO
27576
27577 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
27578 END SUBROUTINE
27579 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_0_exp_0 ( &
27580 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
27581 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
27582 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
27583 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
27584 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
27585 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
27586 r_pow_t, r_tmp, rr1_delta, rr2_delta
27587
27588 REAL(kind=dp) :: c1, c2, c3
27589 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
27590 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
27591 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
27592 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
27593 & h_to_c_4_5, h_to_c_5_5
27594 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
27595 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
27596 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
27597 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
27598
27599
27600 dr = lgth
27601 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
27602
27603 s_r(:, :, :) = 0.0_dp
27604
27605 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
27606
27607 h_to_c_0_0 = sqrt(alpha/pi)
27608
27609 h_to_c_0_1 = 0.0_dp
27610 h_to_c_1_1 = +2*alpha*h_to_c_0_0
27611 h_to_c_0_2 = -1*h_to_c_1_1
27612 h_to_c_1_2 = +2*alpha*h_to_c_0_1
27613 h_to_c_2_2 = +2*alpha*h_to_c_1_1
27614 h_to_c_0_3 = -1*h_to_c_1_2
27615 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
27616 h_to_c_2_3 = +2*alpha*h_to_c_1_2
27617 h_to_c_3_3 = +2*alpha*h_to_c_2_2
27618 h_to_c_0_4 = -1*h_to_c_1_3
27619 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
27620 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
27621 h_to_c_3_4 = +2*alpha*h_to_c_2_3
27622 h_to_c_4_4 = +2*alpha*h_to_c_3_3
27623 h_to_c_0_5 = -1*h_to_c_1_4
27624 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
27625 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
27626 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
27627 h_to_c_4_5 = +2*alpha*h_to_c_3_4
27628 h_to_c_5_5 = +2*alpha*h_to_c_4_4
27629
27630
27631 rr1_delta = (ra - rb)/dr
27632
27633 rr1_l = ceiling(-r_c(1) + rr1_delta)
27634 rr1_r = floor(r_c(1) + rr1_delta)
27635
27636 r1 = rr1_l*dr
27637
27638 alpha_e = zeta*zetb/(zeta + zetb)
27639
27640 DO rr1 = rr1_l, rr1_r
27641 s_r_t_0 = 0.0_dp
27642 s_r_t2_0 = 0.0_dp
27643 s_r_t_1 = 0.0_dp
27644 s_r_t2_1 = 0.0_dp
27645 s_r_t_2 = 0.0_dp
27646 s_r_t2_2 = 0.0_dp
27647 s_r_t_3 = 0.0_dp
27648 s_r_t2_3 = 0.0_dp
27649 s_r_t_4 = 0.0_dp
27650 s_r_t2_4 = 0.0_dp
27651 s_r_t_5 = 0.0_dp
27652 s_r_t2_5 = 0.0_dp
27653 r_tmp = r_offset + r1*zeta/(zeta + zetb)
27654 rr2_delta = -r_tmp/dr
27655
27656 rr2_l = ceiling(-r_c(2) + rr2_delta)
27657 rr2_r = floor(r_c(2) + rr2_delta)
27658
27659 r = r_tmp + (rr2_l)*dr
27660
27661
27662 DO rr2 = rr2_l, rr2_r
27663 r_pow_t = 1.0_dp
27664 exp2_rsq = exp(-alpha*r*r)
27665 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
27666 r_pow_t = r_pow_t*r
27667 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
27668 r_pow_t = r_pow_t*r
27669 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
27670 r_pow_t = r_pow_t*r
27671 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
27672 r_pow_t = r_pow_t*r
27673 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
27674 r_pow_t = r_pow_t*r
27675 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
27676
27677 r = r + dr
27678 END DO
27679
27680 ! C --> H
27681 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
27682 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
27683 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
27684 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
27685 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
27686 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
27687 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
27688 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
27689 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
27690 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
27691 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
27692 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
27693 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
27694 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
27695 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
27696 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
27697 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
27698 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
27699 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
27700 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
27701 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
27702
27703 ! H --> HH
27704 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
27705
27706 c1 = 1.0_dp/(zeta + zetb)
27707 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
27708 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
27709
27710 e_0_1_0 = zeta*( &
27711 +c2*e_0_0_0&
27712
27713 )
27714 e_0_0_1 = zetb*( &
27715 +c3*e_0_0_0&
27716
27717 )
27718 e_1_1_0 = zeta*( c1*e_0_0_0 &
27719
27720
27721 )
27722 e_1_0_1 = zetb*( c1*e_0_0_0 &
27723
27724
27725 )
27726 e_0_2_0 = zeta*( &
27727 +c2*e_0_1_0&
27728 +2*e_1_1_0 &
27729 -2*e_0_0_0)
27730 e_0_1_1 = zetb*( &
27731 +c3*e_0_1_0&
27732 +2*e_1_1_0 &
27733 )
27734 e_1_2_0 = zeta*( c1*e_0_1_0 &
27735 +c2*e_1_1_0&
27736
27737 )
27738 e_1_1_1 = zetb*( c1*e_0_1_0 &
27739 +c3*e_1_1_0&
27740
27741 )
27742 e_2_2_0 = zeta*( c1*e_1_1_0 &
27743
27744
27745 )
27746 e_2_1_1 = zetb*( c1*e_1_1_0 &
27747
27748
27749 )
27750 e_0_3_0 = zeta*( &
27751 +c2*e_0_2_0&
27752 +2*e_1_2_0 &
27753 -4*e_0_1_0)
27754 e_0_2_1 = zetb*( &
27755 +c3*e_0_2_0&
27756 +2*e_1_2_0 &
27757 )
27758 e_1_3_0 = zeta*( c1*e_0_2_0 &
27759 +c2*e_1_2_0&
27760 +4*e_2_2_0 &
27761 -4*e_1_1_0)
27762 e_1_2_1 = zetb*( c1*e_0_2_0 &
27763 +c3*e_1_2_0&
27764 +4*e_2_2_0 &
27765 )
27766 e_2_3_0 = zeta*( c1*e_1_2_0 &
27767 +c2*e_2_2_0&
27768
27769 )
27770 e_2_2_1 = zetb*( c1*e_1_2_0 &
27771 +c3*e_2_2_0&
27772
27773 )
27774 e_3_3_0 = zeta*( c1*e_2_2_0 &
27775
27776
27777 )
27778 e_3_2_1 = zetb*( c1*e_2_2_0 &
27779
27780
27781 )
27782 e_0_3_1 = zetb*( &
27783 +c3*e_0_3_0&
27784 +2*e_1_3_0 &
27785 )
27786 e_1_3_1 = zetb*( c1*e_0_3_0 &
27787 +c3*e_1_3_0&
27788 +4*e_2_3_0 &
27789 )
27790 e_2_3_1 = zetb*( c1*e_1_3_0 &
27791 +c3*e_2_3_0&
27792 +6*e_3_3_0 &
27793 )
27794 e_3_3_1 = zetb*( c1*e_2_3_0 &
27795 +c3*e_3_3_0&
27796
27797 )
27798 e_4_3_1 = zetb*( c1*e_3_3_0 &
27799
27800
27801 )
27802 e_0_1_1 = zeta*( &
27803 +c2*e_0_0_1&
27804 +2*e_1_0_1 &
27805 )
27806 e_0_0_2 = zetb*( &
27807 +c3*e_0_0_1&
27808 +2*e_1_0_1 &
27809 -2*e_0_0_0)
27810 e_1_1_1 = zeta*( c1*e_0_0_1 &
27811 +c2*e_1_0_1&
27812
27813 )
27814 e_1_0_2 = zetb*( c1*e_0_0_1 &
27815 +c3*e_1_0_1&
27816
27817 )
27818 e_2_1_1 = zeta*( c1*e_1_0_1 &
27819
27820
27821 )
27822 e_2_0_2 = zetb*( c1*e_1_0_1 &
27823
27824
27825 )
27826 e_0_2_1 = zeta*( &
27827 +c2*e_0_1_1&
27828 +2*e_1_1_1 &
27829 -2*e_0_0_1)
27830 e_0_1_2 = zetb*( &
27831 +c3*e_0_1_1&
27832 +2*e_1_1_1 &
27833 -2*e_0_1_0)
27834 e_1_2_1 = zeta*( c1*e_0_1_1 &
27835 +c2*e_1_1_1&
27836 +4*e_2_1_1 &
27837 -2*e_1_0_1)
27838 e_1_1_2 = zetb*( c1*e_0_1_1 &
27839 +c3*e_1_1_1&
27840 +4*e_2_1_1 &
27841 -2*e_1_1_0)
27842 e_2_2_1 = zeta*( c1*e_1_1_1 &
27843 +c2*e_2_1_1&
27844
27845 )
27846 e_2_1_2 = zetb*( c1*e_1_1_1 &
27847 +c3*e_2_1_1&
27848
27849 )
27850 e_3_2_1 = zeta*( c1*e_2_1_1 &
27851
27852
27853 )
27854 e_3_1_2 = zetb*( c1*e_2_1_1 &
27855
27856
27857 )
27858 e_0_3_1 = zeta*( &
27859 +c2*e_0_2_1&
27860 +2*e_1_2_1 &
27861 -4*e_0_1_1)
27862 e_0_2_2 = zetb*( &
27863 +c3*e_0_2_1&
27864 +2*e_1_2_1 &
27865 -2*e_0_2_0)
27866 e_1_3_1 = zeta*( c1*e_0_2_1 &
27867 +c2*e_1_2_1&
27868 +4*e_2_2_1 &
27869 -4*e_1_1_1)
27870 e_1_2_2 = zetb*( c1*e_0_2_1 &
27871 +c3*e_1_2_1&
27872 +4*e_2_2_1 &
27873 -2*e_1_2_0)
27874 e_2_3_1 = zeta*( c1*e_1_2_1 &
27875 +c2*e_2_2_1&
27876 +6*e_3_2_1 &
27877 -4*e_2_1_1)
27878 e_2_2_2 = zetb*( c1*e_1_2_1 &
27879 +c3*e_2_2_1&
27880 +6*e_3_2_1 &
27881 -2*e_2_2_0)
27882 e_3_3_1 = zeta*( c1*e_2_2_1 &
27883 +c2*e_3_2_1&
27884
27885 )
27886 e_3_2_2 = zetb*( c1*e_2_2_1 &
27887 +c3*e_3_2_1&
27888
27889 )
27890 e_4_3_1 = zeta*( c1*e_3_2_1 &
27891
27892
27893 )
27894 e_4_2_2 = zetb*( c1*e_3_2_1 &
27895
27896
27897 )
27898 e_0_3_2 = zetb*( &
27899 +c3*e_0_3_1&
27900 +2*e_1_3_1 &
27901 -2*e_0_3_0)
27902 e_1_3_2 = zetb*( c1*e_0_3_1 &
27903 +c3*e_1_3_1&
27904 +4*e_2_3_1 &
27905 -2*e_1_3_0)
27906 e_2_3_2 = zetb*( c1*e_1_3_1 &
27907 +c3*e_2_3_1&
27908 +6*e_3_3_1 &
27909 -2*e_2_3_0)
27910 e_3_3_2 = zetb*( c1*e_2_3_1 &
27911 +c3*e_3_3_1&
27912 +8*e_4_3_1 &
27913 -2*e_3_3_0)
27914 e_4_3_2 = zetb*( c1*e_3_3_1 &
27915 +c3*e_4_3_1&
27916
27917 )
27918 e_5_3_2 = zetb*( c1*e_4_3_1 &
27919
27920
27921 )
27922 e_0_1_2 = zeta*( &
27923 +c2*e_0_0_2&
27924 +2*e_1_0_2 &
27925 )
27926 e_1_1_2 = zeta*( c1*e_0_0_2 &
27927 +c2*e_1_0_2&
27928 +4*e_2_0_2 &
27929 )
27930 e_2_1_2 = zeta*( c1*e_1_0_2 &
27931 +c2*e_2_0_2&
27932
27933 )
27934 e_3_1_2 = zeta*( c1*e_2_0_2 &
27935
27936
27937 )
27938 e_0_2_2 = zeta*( &
27939 +c2*e_0_1_2&
27940 +2*e_1_1_2 &
27941 -2*e_0_0_2)
27942 e_1_2_2 = zeta*( c1*e_0_1_2 &
27943 +c2*e_1_1_2&
27944 +4*e_2_1_2 &
27945 -2*e_1_0_2)
27946 e_2_2_2 = zeta*( c1*e_1_1_2 &
27947 +c2*e_2_1_2&
27948 +6*e_3_1_2 &
27949 -2*e_2_0_2)
27950 e_3_2_2 = zeta*( c1*e_2_1_2 &
27951 +c2*e_3_1_2&
27952
27953 )
27954 e_4_2_2 = zeta*( c1*e_3_1_2 &
27955
27956
27957 )
27958 e_0_3_2 = zeta*( &
27959 +c2*e_0_2_2&
27960 +2*e_1_2_2 &
27961 -4*e_0_1_2)
27962 e_1_3_2 = zeta*( c1*e_0_2_2 &
27963 +c2*e_1_2_2&
27964 +4*e_2_2_2 &
27965 -4*e_1_1_2)
27966 e_2_3_2 = zeta*( c1*e_1_2_2 &
27967 +c2*e_2_2_2&
27968 +6*e_3_2_2 &
27969 -4*e_2_1_2)
27970 e_3_3_2 = zeta*( c1*e_2_2_2 &
27971 +c2*e_3_2_2&
27972 +8*e_4_2_2 &
27973 -4*e_3_1_2)
27974 e_4_3_2 = zeta*( c1*e_3_2_2 &
27975 +c2*e_4_2_2&
27976
27977 )
27978 e_5_3_2 = zeta*( c1*e_4_2_2 &
27979
27980
27981 )
27982
27983 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27984 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27985 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27986 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27987 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27988 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27989 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27990 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27991 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27992 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27993 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27994 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27995 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27996 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27997 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27998 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27999 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
28000 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
28001 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
28002 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
28003 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
28004 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
28005 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
28006 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
28007 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
28008 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
28009 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
28010 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
28011 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
28012 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
28013 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
28014 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
28015 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
28016 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
28017 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
28018 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
28019 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
28020 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
28021 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
28022 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
28023 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
28024 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
28025 r1 = r1 + dr
28026 END DO
28027
28028 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
28029 END SUBROUTINE
28030 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_1_exp_0 ( &
28031 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
28032 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
28033 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
28034 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
28035 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
28036 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
28037 r_pow_t, r_tmp, rr1_delta, rr2_delta
28038
28039 REAL(kind=dp) :: c1, c2, c3
28040 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
28041 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
28042 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
28043 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
28044 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
28045 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
28046 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
28047 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
28048 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
28049
28050
28051 dr = lgth
28052 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
28053
28054 s_r(:, :, :) = 0.0_dp
28055
28056 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
28057
28058 h_to_c_0_0 = sqrt(alpha/pi)
28059
28060 h_to_c_0_1 = 0.0_dp
28061 h_to_c_1_1 = +2*alpha*h_to_c_0_0
28062 h_to_c_0_2 = -1*h_to_c_1_1
28063 h_to_c_1_2 = +2*alpha*h_to_c_0_1
28064 h_to_c_2_2 = +2*alpha*h_to_c_1_1
28065 h_to_c_0_3 = -1*h_to_c_1_2
28066 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
28067 h_to_c_2_3 = +2*alpha*h_to_c_1_2
28068 h_to_c_3_3 = +2*alpha*h_to_c_2_2
28069 h_to_c_0_4 = -1*h_to_c_1_3
28070 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
28071 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
28072 h_to_c_3_4 = +2*alpha*h_to_c_2_3
28073 h_to_c_4_4 = +2*alpha*h_to_c_3_3
28074 h_to_c_0_5 = -1*h_to_c_1_4
28075 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
28076 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
28077 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
28078 h_to_c_4_5 = +2*alpha*h_to_c_3_4
28079 h_to_c_5_5 = +2*alpha*h_to_c_4_4
28080 h_to_c_0_6 = -1*h_to_c_1_5
28081 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
28082 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
28083 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
28084 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
28085 h_to_c_5_6 = +2*alpha*h_to_c_4_5
28086 h_to_c_6_6 = +2*alpha*h_to_c_5_5
28087
28088
28089 rr1_delta = (ra - rb)/dr
28090
28091 rr1_l = ceiling(-r_c(1) + rr1_delta)
28092 rr1_r = floor(r_c(1) + rr1_delta)
28093
28094 r1 = rr1_l*dr
28095
28096 alpha_e = zeta*zetb/(zeta + zetb)
28097
28098 DO rr1 = rr1_l, rr1_r
28099 s_r_t_0 = 0.0_dp
28100 s_r_t2_0 = 0.0_dp
28101 s_r_t_1 = 0.0_dp
28102 s_r_t2_1 = 0.0_dp
28103 s_r_t_2 = 0.0_dp
28104 s_r_t2_2 = 0.0_dp
28105 s_r_t_3 = 0.0_dp
28106 s_r_t2_3 = 0.0_dp
28107 s_r_t_4 = 0.0_dp
28108 s_r_t2_4 = 0.0_dp
28109 s_r_t_5 = 0.0_dp
28110 s_r_t2_5 = 0.0_dp
28111 s_r_t_6 = 0.0_dp
28112 s_r_t2_6 = 0.0_dp
28113 r_tmp = r_offset + r1*zeta/(zeta + zetb)
28114 rr2_delta = -r_tmp/dr
28115
28116 rr2_l = ceiling(-r_c(2) + rr2_delta)
28117 rr2_r = floor(r_c(2) + rr2_delta)
28118
28119 r = r_tmp + (rr2_l)*dr
28120
28121
28122 DO rr2 = rr2_l, rr2_r
28123 r_pow_t = 1.0_dp
28124 exp2_rsq = exp(-alpha*r*r)
28125 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
28126 r_pow_t = r_pow_t*r
28127 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
28128 r_pow_t = r_pow_t*r
28129 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
28130 r_pow_t = r_pow_t*r
28131 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
28132 r_pow_t = r_pow_t*r
28133 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
28134 r_pow_t = r_pow_t*r
28135 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
28136 r_pow_t = r_pow_t*r
28137 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
28138
28139 r = r + dr
28140 END DO
28141
28142 ! C --> H
28143 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
28144 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
28145 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
28146 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
28147 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
28148 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
28149 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
28150 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
28151 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
28152 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
28153 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
28154 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
28155 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
28156 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
28157 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
28158 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
28159 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
28160 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
28161 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
28162 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
28163 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
28164 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
28165 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
28166 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
28167 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
28168 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
28169 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
28170 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
28171
28172 ! H --> HH
28173 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
28174
28175 c1 = 1.0_dp/(zeta + zetb)
28176 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
28177 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
28178
28179 e_0_1_0 = zeta*( &
28180 +c2*e_0_0_0&
28181
28182 )
28183 e_0_0_1 = zetb*( &
28184 +c3*e_0_0_0&
28185
28186 )
28187 e_1_1_0 = zeta*( c1*e_0_0_0 &
28188
28189
28190 )
28191 e_1_0_1 = zetb*( c1*e_0_0_0 &
28192
28193
28194 )
28195 e_0_2_0 = zeta*( &
28196 +c2*e_0_1_0&
28197 +2*e_1_1_0 &
28198 -2*e_0_0_0)
28199 e_0_1_1 = zetb*( &
28200 +c3*e_0_1_0&
28201 +2*e_1_1_0 &
28202 )
28203 e_1_2_0 = zeta*( c1*e_0_1_0 &
28204 +c2*e_1_1_0&
28205
28206 )
28207 e_1_1_1 = zetb*( c1*e_0_1_0 &
28208 +c3*e_1_1_0&
28209
28210 )
28211 e_2_2_0 = zeta*( c1*e_1_1_0 &
28212
28213
28214 )
28215 e_2_1_1 = zetb*( c1*e_1_1_0 &
28216
28217
28218 )
28219 e_0_3_0 = zeta*( &
28220 +c2*e_0_2_0&
28221 +2*e_1_2_0 &
28222 -4*e_0_1_0)
28223 e_0_2_1 = zetb*( &
28224 +c3*e_0_2_0&
28225 +2*e_1_2_0 &
28226 )
28227 e_1_3_0 = zeta*( c1*e_0_2_0 &
28228 +c2*e_1_2_0&
28229 +4*e_2_2_0 &
28230 -4*e_1_1_0)
28231 e_1_2_1 = zetb*( c1*e_0_2_0 &
28232 +c3*e_1_2_0&
28233 +4*e_2_2_0 &
28234 )
28235 e_2_3_0 = zeta*( c1*e_1_2_0 &
28236 +c2*e_2_2_0&
28237
28238 )
28239 e_2_2_1 = zetb*( c1*e_1_2_0 &
28240 +c3*e_2_2_0&
28241
28242 )
28243 e_3_3_0 = zeta*( c1*e_2_2_0 &
28244
28245
28246 )
28247 e_3_2_1 = zetb*( c1*e_2_2_0 &
28248
28249
28250 )
28251 e_0_3_1 = zetb*( &
28252 +c3*e_0_3_0&
28253 +2*e_1_3_0 &
28254 )
28255 e_1_3_1 = zetb*( c1*e_0_3_0 &
28256 +c3*e_1_3_0&
28257 +4*e_2_3_0 &
28258 )
28259 e_2_3_1 = zetb*( c1*e_1_3_0 &
28260 +c3*e_2_3_0&
28261 +6*e_3_3_0 &
28262 )
28263 e_3_3_1 = zetb*( c1*e_2_3_0 &
28264 +c3*e_3_3_0&
28265
28266 )
28267 e_4_3_1 = zetb*( c1*e_3_3_0 &
28268
28269
28270 )
28271 e_0_1_1 = zeta*( &
28272 +c2*e_0_0_1&
28273 +2*e_1_0_1 &
28274 )
28275 e_0_0_2 = zetb*( &
28276 +c3*e_0_0_1&
28277 +2*e_1_0_1 &
28278 -2*e_0_0_0)
28279 e_1_1_1 = zeta*( c1*e_0_0_1 &
28280 +c2*e_1_0_1&
28281
28282 )
28283 e_1_0_2 = zetb*( c1*e_0_0_1 &
28284 +c3*e_1_0_1&
28285
28286 )
28287 e_2_1_1 = zeta*( c1*e_1_0_1 &
28288
28289
28290 )
28291 e_2_0_2 = zetb*( c1*e_1_0_1 &
28292
28293
28294 )
28295 e_0_2_1 = zeta*( &
28296 +c2*e_0_1_1&
28297 +2*e_1_1_1 &
28298 -2*e_0_0_1)
28299 e_0_1_2 = zetb*( &
28300 +c3*e_0_1_1&
28301 +2*e_1_1_1 &
28302 -2*e_0_1_0)
28303 e_1_2_1 = zeta*( c1*e_0_1_1 &
28304 +c2*e_1_1_1&
28305 +4*e_2_1_1 &
28306 -2*e_1_0_1)
28307 e_1_1_2 = zetb*( c1*e_0_1_1 &
28308 +c3*e_1_1_1&
28309 +4*e_2_1_1 &
28310 -2*e_1_1_0)
28311 e_2_2_1 = zeta*( c1*e_1_1_1 &
28312 +c2*e_2_1_1&
28313
28314 )
28315 e_2_1_2 = zetb*( c1*e_1_1_1 &
28316 +c3*e_2_1_1&
28317
28318 )
28319 e_3_2_1 = zeta*( c1*e_2_1_1 &
28320
28321
28322 )
28323 e_3_1_2 = zetb*( c1*e_2_1_1 &
28324
28325
28326 )
28327 e_0_3_1 = zeta*( &
28328 +c2*e_0_2_1&
28329 +2*e_1_2_1 &
28330 -4*e_0_1_1)
28331 e_0_2_2 = zetb*( &
28332 +c3*e_0_2_1&
28333 +2*e_1_2_1 &
28334 -2*e_0_2_0)
28335 e_1_3_1 = zeta*( c1*e_0_2_1 &
28336 +c2*e_1_2_1&
28337 +4*e_2_2_1 &
28338 -4*e_1_1_1)
28339 e_1_2_2 = zetb*( c1*e_0_2_1 &
28340 +c3*e_1_2_1&
28341 +4*e_2_2_1 &
28342 -2*e_1_2_0)
28343 e_2_3_1 = zeta*( c1*e_1_2_1 &
28344 +c2*e_2_2_1&
28345 +6*e_3_2_1 &
28346 -4*e_2_1_1)
28347 e_2_2_2 = zetb*( c1*e_1_2_1 &
28348 +c3*e_2_2_1&
28349 +6*e_3_2_1 &
28350 -2*e_2_2_0)
28351 e_3_3_1 = zeta*( c1*e_2_2_1 &
28352 +c2*e_3_2_1&
28353
28354 )
28355 e_3_2_2 = zetb*( c1*e_2_2_1 &
28356 +c3*e_3_2_1&
28357
28358 )
28359 e_4_3_1 = zeta*( c1*e_3_2_1 &
28360
28361
28362 )
28363 e_4_2_2 = zetb*( c1*e_3_2_1 &
28364
28365
28366 )
28367 e_0_3_2 = zetb*( &
28368 +c3*e_0_3_1&
28369 +2*e_1_3_1 &
28370 -2*e_0_3_0)
28371 e_1_3_2 = zetb*( c1*e_0_3_1 &
28372 +c3*e_1_3_1&
28373 +4*e_2_3_1 &
28374 -2*e_1_3_0)
28375 e_2_3_2 = zetb*( c1*e_1_3_1 &
28376 +c3*e_2_3_1&
28377 +6*e_3_3_1 &
28378 -2*e_2_3_0)
28379 e_3_3_2 = zetb*( c1*e_2_3_1 &
28380 +c3*e_3_3_1&
28381 +8*e_4_3_1 &
28382 -2*e_3_3_0)
28383 e_4_3_2 = zetb*( c1*e_3_3_1 &
28384 +c3*e_4_3_1&
28385
28386 )
28387 e_5_3_2 = zetb*( c1*e_4_3_1 &
28388
28389
28390 )
28391 e_0_1_2 = zeta*( &
28392 +c2*e_0_0_2&
28393 +2*e_1_0_2 &
28394 )
28395 e_1_1_2 = zeta*( c1*e_0_0_2 &
28396 +c2*e_1_0_2&
28397 +4*e_2_0_2 &
28398 )
28399 e_2_1_2 = zeta*( c1*e_1_0_2 &
28400 +c2*e_2_0_2&
28401
28402 )
28403 e_3_1_2 = zeta*( c1*e_2_0_2 &
28404
28405
28406 )
28407 e_0_2_2 = zeta*( &
28408 +c2*e_0_1_2&
28409 +2*e_1_1_2 &
28410 -2*e_0_0_2)
28411 e_1_2_2 = zeta*( c1*e_0_1_2 &
28412 +c2*e_1_1_2&
28413 +4*e_2_1_2 &
28414 -2*e_1_0_2)
28415 e_2_2_2 = zeta*( c1*e_1_1_2 &
28416 +c2*e_2_1_2&
28417 +6*e_3_1_2 &
28418 -2*e_2_0_2)
28419 e_3_2_2 = zeta*( c1*e_2_1_2 &
28420 +c2*e_3_1_2&
28421
28422 )
28423 e_4_2_2 = zeta*( c1*e_3_1_2 &
28424
28425
28426 )
28427 e_0_3_2 = zeta*( &
28428 +c2*e_0_2_2&
28429 +2*e_1_2_2 &
28430 -4*e_0_1_2)
28431 e_1_3_2 = zeta*( c1*e_0_2_2 &
28432 +c2*e_1_2_2&
28433 +4*e_2_2_2 &
28434 -4*e_1_1_2)
28435 e_2_3_2 = zeta*( c1*e_1_2_2 &
28436 +c2*e_2_2_2&
28437 +6*e_3_2_2 &
28438 -4*e_2_1_2)
28439 e_3_3_2 = zeta*( c1*e_2_2_2 &
28440 +c2*e_3_2_2&
28441 +8*e_4_2_2 &
28442 -4*e_3_1_2)
28443 e_4_3_2 = zeta*( c1*e_3_2_2 &
28444 +c2*e_4_2_2&
28445
28446 )
28447 e_5_3_2 = zeta*( c1*e_4_2_2 &
28448
28449
28450 )
28451
28452 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
28453 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
28454 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
28455 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
28456 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
28457 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
28458 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
28459 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
28460 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
28461 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
28462 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
28463 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
28464 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
28465 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
28466 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
28467 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
28468 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
28469 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
28470 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
28471 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
28472 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
28473 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
28474 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
28475 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
28476 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
28477 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
28478 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
28479 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
28480 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
28481 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
28482 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
28483 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
28484 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
28485 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
28486 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
28487 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
28488 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
28489 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
28490 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
28491 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
28492 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
28493 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
28494 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
28495 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
28496 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
28497 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
28498 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
28499 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
28500 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
28501 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
28502 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
28503 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
28504 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
28505 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
28506 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
28507 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
28508 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
28509 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
28510 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
28511 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
28512 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
28513 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
28514 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
28515 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
28516 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
28517 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
28518 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
28519 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
28520 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
28521 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
28522 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
28523 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
28524 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
28525 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
28526 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
28527 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
28528 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
28529 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
28530 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
28531 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
28532 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
28533 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
28534 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
28535 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
28536 r1 = r1 + dr
28537 END DO
28538
28539 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
28540 END SUBROUTINE
28541 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_2_exp_0 ( &
28542 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
28543 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
28544 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
28545 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
28546 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
28547 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
28548 r_pow_t, r_tmp, rr1_delta, rr2_delta
28549
28550 REAL(kind=dp) :: c1, c2, c3
28551 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
28552 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
28553 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
28554 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
28555 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
28556 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
28557 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
28558 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
28559 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
28560 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
28561
28562
28563 dr = lgth
28564 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
28565
28566 s_r(:, :, :) = 0.0_dp
28567
28568 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
28569
28570 h_to_c_0_0 = sqrt(alpha/pi)
28571
28572 h_to_c_0_1 = 0.0_dp
28573 h_to_c_1_1 = +2*alpha*h_to_c_0_0
28574 h_to_c_0_2 = -1*h_to_c_1_1
28575 h_to_c_1_2 = +2*alpha*h_to_c_0_1
28576 h_to_c_2_2 = +2*alpha*h_to_c_1_1
28577 h_to_c_0_3 = -1*h_to_c_1_2
28578 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
28579 h_to_c_2_3 = +2*alpha*h_to_c_1_2
28580 h_to_c_3_3 = +2*alpha*h_to_c_2_2
28581 h_to_c_0_4 = -1*h_to_c_1_3
28582 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
28583 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
28584 h_to_c_3_4 = +2*alpha*h_to_c_2_3
28585 h_to_c_4_4 = +2*alpha*h_to_c_3_3
28586 h_to_c_0_5 = -1*h_to_c_1_4
28587 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
28588 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
28589 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
28590 h_to_c_4_5 = +2*alpha*h_to_c_3_4
28591 h_to_c_5_5 = +2*alpha*h_to_c_4_4
28592 h_to_c_0_6 = -1*h_to_c_1_5
28593 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
28594 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
28595 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
28596 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
28597 h_to_c_5_6 = +2*alpha*h_to_c_4_5
28598 h_to_c_6_6 = +2*alpha*h_to_c_5_5
28599 h_to_c_0_7 = -1*h_to_c_1_6
28600 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
28601 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
28602 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
28603 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
28604 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
28605 h_to_c_6_7 = +2*alpha*h_to_c_5_6
28606 h_to_c_7_7 = +2*alpha*h_to_c_6_6
28607
28608
28609 rr1_delta = (ra - rb)/dr
28610
28611 rr1_l = ceiling(-r_c(1) + rr1_delta)
28612 rr1_r = floor(r_c(1) + rr1_delta)
28613
28614 r1 = rr1_l*dr
28615
28616 alpha_e = zeta*zetb/(zeta + zetb)
28617
28618 DO rr1 = rr1_l, rr1_r
28619 s_r_t_0 = 0.0_dp
28620 s_r_t2_0 = 0.0_dp
28621 s_r_t_1 = 0.0_dp
28622 s_r_t2_1 = 0.0_dp
28623 s_r_t_2 = 0.0_dp
28624 s_r_t2_2 = 0.0_dp
28625 s_r_t_3 = 0.0_dp
28626 s_r_t2_3 = 0.0_dp
28627 s_r_t_4 = 0.0_dp
28628 s_r_t2_4 = 0.0_dp
28629 s_r_t_5 = 0.0_dp
28630 s_r_t2_5 = 0.0_dp
28631 s_r_t_6 = 0.0_dp
28632 s_r_t2_6 = 0.0_dp
28633 s_r_t_7 = 0.0_dp
28634 s_r_t2_7 = 0.0_dp
28635 r_tmp = r_offset + r1*zeta/(zeta + zetb)
28636 rr2_delta = -r_tmp/dr
28637
28638 rr2_l = ceiling(-r_c(2) + rr2_delta)
28639 rr2_r = floor(r_c(2) + rr2_delta)
28640
28641 r = r_tmp + (rr2_l)*dr
28642
28643
28644 DO rr2 = rr2_l, rr2_r
28645 r_pow_t = 1.0_dp
28646 exp2_rsq = exp(-alpha*r*r)
28647 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
28648 r_pow_t = r_pow_t*r
28649 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
28650 r_pow_t = r_pow_t*r
28651 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
28652 r_pow_t = r_pow_t*r
28653 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
28654 r_pow_t = r_pow_t*r
28655 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
28656 r_pow_t = r_pow_t*r
28657 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
28658 r_pow_t = r_pow_t*r
28659 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
28660 r_pow_t = r_pow_t*r
28661 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
28662
28663 r = r + dr
28664 END DO
28665
28666 ! C --> H
28667 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
28668 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
28669 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
28670 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
28671 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
28672 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
28673 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
28674 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
28675 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
28676 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
28677 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
28678 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
28679 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
28680 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
28681 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
28682 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
28683 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
28684 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
28685 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
28686 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
28687 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
28688 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
28689 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
28690 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
28691 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
28692 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
28693 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
28694 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
28695 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
28696 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
28697 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
28698 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
28699 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
28700 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
28701 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
28702 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
28703
28704 ! H --> HH
28705 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
28706
28707 c1 = 1.0_dp/(zeta + zetb)
28708 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
28709 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
28710
28711 e_0_1_0 = zeta*( &
28712 +c2*e_0_0_0&
28713
28714 )
28715 e_0_0_1 = zetb*( &
28716 +c3*e_0_0_0&
28717
28718 )
28719 e_1_1_0 = zeta*( c1*e_0_0_0 &
28720
28721
28722 )
28723 e_1_0_1 = zetb*( c1*e_0_0_0 &
28724
28725
28726 )
28727 e_0_2_0 = zeta*( &
28728 +c2*e_0_1_0&
28729 +2*e_1_1_0 &
28730 -2*e_0_0_0)
28731 e_0_1_1 = zetb*( &
28732 +c3*e_0_1_0&
28733 +2*e_1_1_0 &
28734 )
28735 e_1_2_0 = zeta*( c1*e_0_1_0 &
28736 +c2*e_1_1_0&
28737
28738 )
28739 e_1_1_1 = zetb*( c1*e_0_1_0 &
28740 +c3*e_1_1_0&
28741
28742 )
28743 e_2_2_0 = zeta*( c1*e_1_1_0 &
28744
28745
28746 )
28747 e_2_1_1 = zetb*( c1*e_1_1_0 &
28748
28749
28750 )
28751 e_0_3_0 = zeta*( &
28752 +c2*e_0_2_0&
28753 +2*e_1_2_0 &
28754 -4*e_0_1_0)
28755 e_0_2_1 = zetb*( &
28756 +c3*e_0_2_0&
28757 +2*e_1_2_0 &
28758 )
28759 e_1_3_0 = zeta*( c1*e_0_2_0 &
28760 +c2*e_1_2_0&
28761 +4*e_2_2_0 &
28762 -4*e_1_1_0)
28763 e_1_2_1 = zetb*( c1*e_0_2_0 &
28764 +c3*e_1_2_0&
28765 +4*e_2_2_0 &
28766 )
28767 e_2_3_0 = zeta*( c1*e_1_2_0 &
28768 +c2*e_2_2_0&
28769
28770 )
28771 e_2_2_1 = zetb*( c1*e_1_2_0 &
28772 +c3*e_2_2_0&
28773
28774 )
28775 e_3_3_0 = zeta*( c1*e_2_2_0 &
28776
28777
28778 )
28779 e_3_2_1 = zetb*( c1*e_2_2_0 &
28780
28781
28782 )
28783 e_0_3_1 = zetb*( &
28784 +c3*e_0_3_0&
28785 +2*e_1_3_0 &
28786 )
28787 e_1_3_1 = zetb*( c1*e_0_3_0 &
28788 +c3*e_1_3_0&
28789 +4*e_2_3_0 &
28790 )
28791 e_2_3_1 = zetb*( c1*e_1_3_0 &
28792 +c3*e_2_3_0&
28793 +6*e_3_3_0 &
28794 )
28795 e_3_3_1 = zetb*( c1*e_2_3_0 &
28796 +c3*e_3_3_0&
28797
28798 )
28799 e_4_3_1 = zetb*( c1*e_3_3_0 &
28800
28801
28802 )
28803 e_0_1_1 = zeta*( &
28804 +c2*e_0_0_1&
28805 +2*e_1_0_1 &
28806 )
28807 e_0_0_2 = zetb*( &
28808 +c3*e_0_0_1&
28809 +2*e_1_0_1 &
28810 -2*e_0_0_0)
28811 e_1_1_1 = zeta*( c1*e_0_0_1 &
28812 +c2*e_1_0_1&
28813
28814 )
28815 e_1_0_2 = zetb*( c1*e_0_0_1 &
28816 +c3*e_1_0_1&
28817
28818 )
28819 e_2_1_1 = zeta*( c1*e_1_0_1 &
28820
28821
28822 )
28823 e_2_0_2 = zetb*( c1*e_1_0_1 &
28824
28825
28826 )
28827 e_0_2_1 = zeta*( &
28828 +c2*e_0_1_1&
28829 +2*e_1_1_1 &
28830 -2*e_0_0_1)
28831 e_0_1_2 = zetb*( &
28832 +c3*e_0_1_1&
28833 +2*e_1_1_1 &
28834 -2*e_0_1_0)
28835 e_1_2_1 = zeta*( c1*e_0_1_1 &
28836 +c2*e_1_1_1&
28837 +4*e_2_1_1 &
28838 -2*e_1_0_1)
28839 e_1_1_2 = zetb*( c1*e_0_1_1 &
28840 +c3*e_1_1_1&
28841 +4*e_2_1_1 &
28842 -2*e_1_1_0)
28843 e_2_2_1 = zeta*( c1*e_1_1_1 &
28844 +c2*e_2_1_1&
28845
28846 )
28847 e_2_1_2 = zetb*( c1*e_1_1_1 &
28848 +c3*e_2_1_1&
28849
28850 )
28851 e_3_2_1 = zeta*( c1*e_2_1_1 &
28852
28853
28854 )
28855 e_3_1_2 = zetb*( c1*e_2_1_1 &
28856
28857
28858 )
28859 e_0_3_1 = zeta*( &
28860 +c2*e_0_2_1&
28861 +2*e_1_2_1 &
28862 -4*e_0_1_1)
28863 e_0_2_2 = zetb*( &
28864 +c3*e_0_2_1&
28865 +2*e_1_2_1 &
28866 -2*e_0_2_0)
28867 e_1_3_1 = zeta*( c1*e_0_2_1 &
28868 +c2*e_1_2_1&
28869 +4*e_2_2_1 &
28870 -4*e_1_1_1)
28871 e_1_2_2 = zetb*( c1*e_0_2_1 &
28872 +c3*e_1_2_1&
28873 +4*e_2_2_1 &
28874 -2*e_1_2_0)
28875 e_2_3_1 = zeta*( c1*e_1_2_1 &
28876 +c2*e_2_2_1&
28877 +6*e_3_2_1 &
28878 -4*e_2_1_1)
28879 e_2_2_2 = zetb*( c1*e_1_2_1 &
28880 +c3*e_2_2_1&
28881 +6*e_3_2_1 &
28882 -2*e_2_2_0)
28883 e_3_3_1 = zeta*( c1*e_2_2_1 &
28884 +c2*e_3_2_1&
28885
28886 )
28887 e_3_2_2 = zetb*( c1*e_2_2_1 &
28888 +c3*e_3_2_1&
28889
28890 )
28891 e_4_3_1 = zeta*( c1*e_3_2_1 &
28892
28893
28894 )
28895 e_4_2_2 = zetb*( c1*e_3_2_1 &
28896
28897
28898 )
28899 e_0_3_2 = zetb*( &
28900 +c3*e_0_3_1&
28901 +2*e_1_3_1 &
28902 -2*e_0_3_0)
28903 e_1_3_2 = zetb*( c1*e_0_3_1 &
28904 +c3*e_1_3_1&
28905 +4*e_2_3_1 &
28906 -2*e_1_3_0)
28907 e_2_3_2 = zetb*( c1*e_1_3_1 &
28908 +c3*e_2_3_1&
28909 +6*e_3_3_1 &
28910 -2*e_2_3_0)
28911 e_3_3_2 = zetb*( c1*e_2_3_1 &
28912 +c3*e_3_3_1&
28913 +8*e_4_3_1 &
28914 -2*e_3_3_0)
28915 e_4_3_2 = zetb*( c1*e_3_3_1 &
28916 +c3*e_4_3_1&
28917
28918 )
28919 e_5_3_2 = zetb*( c1*e_4_3_1 &
28920
28921
28922 )
28923 e_0_1_2 = zeta*( &
28924 +c2*e_0_0_2&
28925 +2*e_1_0_2 &
28926 )
28927 e_1_1_2 = zeta*( c1*e_0_0_2 &
28928 +c2*e_1_0_2&
28929 +4*e_2_0_2 &
28930 )
28931 e_2_1_2 = zeta*( c1*e_1_0_2 &
28932 +c2*e_2_0_2&
28933
28934 )
28935 e_3_1_2 = zeta*( c1*e_2_0_2 &
28936
28937
28938 )
28939 e_0_2_2 = zeta*( &
28940 +c2*e_0_1_2&
28941 +2*e_1_1_2 &
28942 -2*e_0_0_2)
28943 e_1_2_2 = zeta*( c1*e_0_1_2 &
28944 +c2*e_1_1_2&
28945 +4*e_2_1_2 &
28946 -2*e_1_0_2)
28947 e_2_2_2 = zeta*( c1*e_1_1_2 &
28948 +c2*e_2_1_2&
28949 +6*e_3_1_2 &
28950 -2*e_2_0_2)
28951 e_3_2_2 = zeta*( c1*e_2_1_2 &
28952 +c2*e_3_1_2&
28953
28954 )
28955 e_4_2_2 = zeta*( c1*e_3_1_2 &
28956
28957
28958 )
28959 e_0_3_2 = zeta*( &
28960 +c2*e_0_2_2&
28961 +2*e_1_2_2 &
28962 -4*e_0_1_2)
28963 e_1_3_2 = zeta*( c1*e_0_2_2 &
28964 +c2*e_1_2_2&
28965 +4*e_2_2_2 &
28966 -4*e_1_1_2)
28967 e_2_3_2 = zeta*( c1*e_1_2_2 &
28968 +c2*e_2_2_2&
28969 +6*e_3_2_2 &
28970 -4*e_2_1_2)
28971 e_3_3_2 = zeta*( c1*e_2_2_2 &
28972 +c2*e_3_2_2&
28973 +8*e_4_2_2 &
28974 -4*e_3_1_2)
28975 e_4_3_2 = zeta*( c1*e_3_2_2 &
28976 +c2*e_4_2_2&
28977
28978 )
28979 e_5_3_2 = zeta*( c1*e_4_2_2 &
28980
28981
28982 )
28983
28984 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
28985 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
28986 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
28987 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
28988 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
28989 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
28990 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
28991 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
28992 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
28993 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
28994 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
28995 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
28996 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
28997 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
28998 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
28999 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
29000 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
29001 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29002 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29003 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
29004 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
29005 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29006 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29007 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29008 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
29009 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
29010 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29011 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
29012 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
29013 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29014 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29015 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
29016 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
29017 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29018 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29019 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29020 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
29021 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
29022 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29023 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29024 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29025 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29026 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
29027 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
29028 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
29029 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
29030 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
29031 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29032 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
29033 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
29034 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29035 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29036 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
29037 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
29038 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
29039 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
29040 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29041 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
29042 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
29043 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29044 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29045 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
29046 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
29047 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29048 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29049 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29050 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
29051 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
29052 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29053 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
29054 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
29055 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29056 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29057 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
29058 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
29059 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29060 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29061 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29062 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
29063 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
29064 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29065 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29066 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29067 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29068 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
29069 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
29070 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
29071 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29072 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
29073 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
29074 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29075 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29076 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
29077 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
29078 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
29079 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
29080 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29081 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
29082 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
29083 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29084 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29085 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
29086 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
29087 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29088 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29089 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29090 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
29091 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
29092 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29093 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
29094 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
29095 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29096 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29097 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
29098 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
29099 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29100 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29101 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29102 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
29103 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
29104 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29105 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29106 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29107 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29108 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
29109 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
29110 r1 = r1 + dr
29111 END DO
29112
29113 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
29114 END SUBROUTINE
29115 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_3_exp_0 ( &
29116 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
29117 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
29118 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
29119 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
29120 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
29121 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
29122 r_pow_t, r_tmp, rr1_delta, rr2_delta
29123
29124 REAL(kind=dp) :: c1, c2, c3
29125 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
29126 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
29127 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
29128 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
29129 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
29130 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
29131 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
29132 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
29133 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
29134 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
29135 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
29136
29137
29138 dr = lgth
29139 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
29140
29141 s_r(:, :, :) = 0.0_dp
29142
29143 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
29144
29145 h_to_c_0_0 = sqrt(alpha/pi)
29146
29147 h_to_c_0_1 = 0.0_dp
29148 h_to_c_1_1 = +2*alpha*h_to_c_0_0
29149 h_to_c_0_2 = -1*h_to_c_1_1
29150 h_to_c_1_2 = +2*alpha*h_to_c_0_1
29151 h_to_c_2_2 = +2*alpha*h_to_c_1_1
29152 h_to_c_0_3 = -1*h_to_c_1_2
29153 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
29154 h_to_c_2_3 = +2*alpha*h_to_c_1_2
29155 h_to_c_3_3 = +2*alpha*h_to_c_2_2
29156 h_to_c_0_4 = -1*h_to_c_1_3
29157 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
29158 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
29159 h_to_c_3_4 = +2*alpha*h_to_c_2_3
29160 h_to_c_4_4 = +2*alpha*h_to_c_3_3
29161 h_to_c_0_5 = -1*h_to_c_1_4
29162 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
29163 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
29164 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
29165 h_to_c_4_5 = +2*alpha*h_to_c_3_4
29166 h_to_c_5_5 = +2*alpha*h_to_c_4_4
29167 h_to_c_0_6 = -1*h_to_c_1_5
29168 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
29169 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
29170 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
29171 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
29172 h_to_c_5_6 = +2*alpha*h_to_c_4_5
29173 h_to_c_6_6 = +2*alpha*h_to_c_5_5
29174 h_to_c_0_7 = -1*h_to_c_1_6
29175 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
29176 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
29177 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
29178 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
29179 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
29180 h_to_c_6_7 = +2*alpha*h_to_c_5_6
29181 h_to_c_7_7 = +2*alpha*h_to_c_6_6
29182 h_to_c_0_8 = -1*h_to_c_1_7
29183 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
29184 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
29185 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
29186 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
29187 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
29188 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
29189 h_to_c_7_8 = +2*alpha*h_to_c_6_7
29190 h_to_c_8_8 = +2*alpha*h_to_c_7_7
29191
29192
29193 rr1_delta = (ra - rb)/dr
29194
29195 rr1_l = ceiling(-r_c(1) + rr1_delta)
29196 rr1_r = floor(r_c(1) + rr1_delta)
29197
29198 r1 = rr1_l*dr
29199
29200 alpha_e = zeta*zetb/(zeta + zetb)
29201
29202 DO rr1 = rr1_l, rr1_r
29203 s_r_t_0 = 0.0_dp
29204 s_r_t2_0 = 0.0_dp
29205 s_r_t_1 = 0.0_dp
29206 s_r_t2_1 = 0.0_dp
29207 s_r_t_2 = 0.0_dp
29208 s_r_t2_2 = 0.0_dp
29209 s_r_t_3 = 0.0_dp
29210 s_r_t2_3 = 0.0_dp
29211 s_r_t_4 = 0.0_dp
29212 s_r_t2_4 = 0.0_dp
29213 s_r_t_5 = 0.0_dp
29214 s_r_t2_5 = 0.0_dp
29215 s_r_t_6 = 0.0_dp
29216 s_r_t2_6 = 0.0_dp
29217 s_r_t_7 = 0.0_dp
29218 s_r_t2_7 = 0.0_dp
29219 s_r_t_8 = 0.0_dp
29220 s_r_t2_8 = 0.0_dp
29221 r_tmp = r_offset + r1*zeta/(zeta + zetb)
29222 rr2_delta = -r_tmp/dr
29223
29224 rr2_l = ceiling(-r_c(2) + rr2_delta)
29225 rr2_r = floor(r_c(2) + rr2_delta)
29226
29227 r = r_tmp + (rr2_l)*dr
29228
29229
29230 DO rr2 = rr2_l, rr2_r
29231 r_pow_t = 1.0_dp
29232 exp2_rsq = exp(-alpha*r*r)
29233 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
29234 r_pow_t = r_pow_t*r
29235 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
29236 r_pow_t = r_pow_t*r
29237 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
29238 r_pow_t = r_pow_t*r
29239 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
29240 r_pow_t = r_pow_t*r
29241 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
29242 r_pow_t = r_pow_t*r
29243 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
29244 r_pow_t = r_pow_t*r
29245 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
29246 r_pow_t = r_pow_t*r
29247 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
29248 r_pow_t = r_pow_t*r
29249 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
29250
29251 r = r + dr
29252 END DO
29253
29254 ! C --> H
29255 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
29256 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
29257 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
29258 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
29259 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
29260 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
29261 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
29262 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
29263 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
29264 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
29265 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
29266 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
29267 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
29268 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
29269 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
29270 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
29271 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
29272 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
29273 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
29274 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
29275 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
29276 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
29277 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
29278 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
29279 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
29280 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
29281 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
29282 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
29283 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
29284 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
29285 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
29286 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
29287 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
29288 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
29289 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
29290 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
29291 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
29292 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
29293 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
29294 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
29295 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
29296 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
29297 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
29298 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
29299 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
29300
29301 ! H --> HH
29302 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
29303
29304 c1 = 1.0_dp/(zeta + zetb)
29305 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
29306 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
29307
29308 e_0_1_0 = zeta*( &
29309 +c2*e_0_0_0&
29310
29311 )
29312 e_0_0_1 = zetb*( &
29313 +c3*e_0_0_0&
29314
29315 )
29316 e_1_1_0 = zeta*( c1*e_0_0_0 &
29317
29318
29319 )
29320 e_1_0_1 = zetb*( c1*e_0_0_0 &
29321
29322
29323 )
29324 e_0_2_0 = zeta*( &
29325 +c2*e_0_1_0&
29326 +2*e_1_1_0 &
29327 -2*e_0_0_0)
29328 e_0_1_1 = zetb*( &
29329 +c3*e_0_1_0&
29330 +2*e_1_1_0 &
29331 )
29332 e_1_2_0 = zeta*( c1*e_0_1_0 &
29333 +c2*e_1_1_0&
29334
29335 )
29336 e_1_1_1 = zetb*( c1*e_0_1_0 &
29337 +c3*e_1_1_0&
29338
29339 )
29340 e_2_2_0 = zeta*( c1*e_1_1_0 &
29341
29342
29343 )
29344 e_2_1_1 = zetb*( c1*e_1_1_0 &
29345
29346
29347 )
29348 e_0_3_0 = zeta*( &
29349 +c2*e_0_2_0&
29350 +2*e_1_2_0 &
29351 -4*e_0_1_0)
29352 e_0_2_1 = zetb*( &
29353 +c3*e_0_2_0&
29354 +2*e_1_2_0 &
29355 )
29356 e_1_3_0 = zeta*( c1*e_0_2_0 &
29357 +c2*e_1_2_0&
29358 +4*e_2_2_0 &
29359 -4*e_1_1_0)
29360 e_1_2_1 = zetb*( c1*e_0_2_0 &
29361 +c3*e_1_2_0&
29362 +4*e_2_2_0 &
29363 )
29364 e_2_3_0 = zeta*( c1*e_1_2_0 &
29365 +c2*e_2_2_0&
29366
29367 )
29368 e_2_2_1 = zetb*( c1*e_1_2_0 &
29369 +c3*e_2_2_0&
29370
29371 )
29372 e_3_3_0 = zeta*( c1*e_2_2_0 &
29373
29374
29375 )
29376 e_3_2_1 = zetb*( c1*e_2_2_0 &
29377
29378
29379 )
29380 e_0_3_1 = zetb*( &
29381 +c3*e_0_3_0&
29382 +2*e_1_3_0 &
29383 )
29384 e_1_3_1 = zetb*( c1*e_0_3_0 &
29385 +c3*e_1_3_0&
29386 +4*e_2_3_0 &
29387 )
29388 e_2_3_1 = zetb*( c1*e_1_3_0 &
29389 +c3*e_2_3_0&
29390 +6*e_3_3_0 &
29391 )
29392 e_3_3_1 = zetb*( c1*e_2_3_0 &
29393 +c3*e_3_3_0&
29394
29395 )
29396 e_4_3_1 = zetb*( c1*e_3_3_0 &
29397
29398
29399 )
29400 e_0_1_1 = zeta*( &
29401 +c2*e_0_0_1&
29402 +2*e_1_0_1 &
29403 )
29404 e_0_0_2 = zetb*( &
29405 +c3*e_0_0_1&
29406 +2*e_1_0_1 &
29407 -2*e_0_0_0)
29408 e_1_1_1 = zeta*( c1*e_0_0_1 &
29409 +c2*e_1_0_1&
29410
29411 )
29412 e_1_0_2 = zetb*( c1*e_0_0_1 &
29413 +c3*e_1_0_1&
29414
29415 )
29416 e_2_1_1 = zeta*( c1*e_1_0_1 &
29417
29418
29419 )
29420 e_2_0_2 = zetb*( c1*e_1_0_1 &
29421
29422
29423 )
29424 e_0_2_1 = zeta*( &
29425 +c2*e_0_1_1&
29426 +2*e_1_1_1 &
29427 -2*e_0_0_1)
29428 e_0_1_2 = zetb*( &
29429 +c3*e_0_1_1&
29430 +2*e_1_1_1 &
29431 -2*e_0_1_0)
29432 e_1_2_1 = zeta*( c1*e_0_1_1 &
29433 +c2*e_1_1_1&
29434 +4*e_2_1_1 &
29435 -2*e_1_0_1)
29436 e_1_1_2 = zetb*( c1*e_0_1_1 &
29437 +c3*e_1_1_1&
29438 +4*e_2_1_1 &
29439 -2*e_1_1_0)
29440 e_2_2_1 = zeta*( c1*e_1_1_1 &
29441 +c2*e_2_1_1&
29442
29443 )
29444 e_2_1_2 = zetb*( c1*e_1_1_1 &
29445 +c3*e_2_1_1&
29446
29447 )
29448 e_3_2_1 = zeta*( c1*e_2_1_1 &
29449
29450
29451 )
29452 e_3_1_2 = zetb*( c1*e_2_1_1 &
29453
29454
29455 )
29456 e_0_3_1 = zeta*( &
29457 +c2*e_0_2_1&
29458 +2*e_1_2_1 &
29459 -4*e_0_1_1)
29460 e_0_2_2 = zetb*( &
29461 +c3*e_0_2_1&
29462 +2*e_1_2_1 &
29463 -2*e_0_2_0)
29464 e_1_3_1 = zeta*( c1*e_0_2_1 &
29465 +c2*e_1_2_1&
29466 +4*e_2_2_1 &
29467 -4*e_1_1_1)
29468 e_1_2_2 = zetb*( c1*e_0_2_1 &
29469 +c3*e_1_2_1&
29470 +4*e_2_2_1 &
29471 -2*e_1_2_0)
29472 e_2_3_1 = zeta*( c1*e_1_2_1 &
29473 +c2*e_2_2_1&
29474 +6*e_3_2_1 &
29475 -4*e_2_1_1)
29476 e_2_2_2 = zetb*( c1*e_1_2_1 &
29477 +c3*e_2_2_1&
29478 +6*e_3_2_1 &
29479 -2*e_2_2_0)
29480 e_3_3_1 = zeta*( c1*e_2_2_1 &
29481 +c2*e_3_2_1&
29482
29483 )
29484 e_3_2_2 = zetb*( c1*e_2_2_1 &
29485 +c3*e_3_2_1&
29486
29487 )
29488 e_4_3_1 = zeta*( c1*e_3_2_1 &
29489
29490
29491 )
29492 e_4_2_2 = zetb*( c1*e_3_2_1 &
29493
29494
29495 )
29496 e_0_3_2 = zetb*( &
29497 +c3*e_0_3_1&
29498 +2*e_1_3_1 &
29499 -2*e_0_3_0)
29500 e_1_3_2 = zetb*( c1*e_0_3_1 &
29501 +c3*e_1_3_1&
29502 +4*e_2_3_1 &
29503 -2*e_1_3_0)
29504 e_2_3_2 = zetb*( c1*e_1_3_1 &
29505 +c3*e_2_3_1&
29506 +6*e_3_3_1 &
29507 -2*e_2_3_0)
29508 e_3_3_2 = zetb*( c1*e_2_3_1 &
29509 +c3*e_3_3_1&
29510 +8*e_4_3_1 &
29511 -2*e_3_3_0)
29512 e_4_3_2 = zetb*( c1*e_3_3_1 &
29513 +c3*e_4_3_1&
29514
29515 )
29516 e_5_3_2 = zetb*( c1*e_4_3_1 &
29517
29518
29519 )
29520 e_0_1_2 = zeta*( &
29521 +c2*e_0_0_2&
29522 +2*e_1_0_2 &
29523 )
29524 e_1_1_2 = zeta*( c1*e_0_0_2 &
29525 +c2*e_1_0_2&
29526 +4*e_2_0_2 &
29527 )
29528 e_2_1_2 = zeta*( c1*e_1_0_2 &
29529 +c2*e_2_0_2&
29530
29531 )
29532 e_3_1_2 = zeta*( c1*e_2_0_2 &
29533
29534
29535 )
29536 e_0_2_2 = zeta*( &
29537 +c2*e_0_1_2&
29538 +2*e_1_1_2 &
29539 -2*e_0_0_2)
29540 e_1_2_2 = zeta*( c1*e_0_1_2 &
29541 +c2*e_1_1_2&
29542 +4*e_2_1_2 &
29543 -2*e_1_0_2)
29544 e_2_2_2 = zeta*( c1*e_1_1_2 &
29545 +c2*e_2_1_2&
29546 +6*e_3_1_2 &
29547 -2*e_2_0_2)
29548 e_3_2_2 = zeta*( c1*e_2_1_2 &
29549 +c2*e_3_1_2&
29550
29551 )
29552 e_4_2_2 = zeta*( c1*e_3_1_2 &
29553
29554
29555 )
29556 e_0_3_2 = zeta*( &
29557 +c2*e_0_2_2&
29558 +2*e_1_2_2 &
29559 -4*e_0_1_2)
29560 e_1_3_2 = zeta*( c1*e_0_2_2 &
29561 +c2*e_1_2_2&
29562 +4*e_2_2_2 &
29563 -4*e_1_1_2)
29564 e_2_3_2 = zeta*( c1*e_1_2_2 &
29565 +c2*e_2_2_2&
29566 +6*e_3_2_2 &
29567 -4*e_2_1_2)
29568 e_3_3_2 = zeta*( c1*e_2_2_2 &
29569 +c2*e_3_2_2&
29570 +8*e_4_2_2 &
29571 -4*e_3_1_2)
29572 e_4_3_2 = zeta*( c1*e_3_2_2 &
29573 +c2*e_4_2_2&
29574
29575 )
29576 e_5_3_2 = zeta*( c1*e_4_2_2 &
29577
29578
29579 )
29580
29581 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
29582 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
29583 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
29584 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
29585 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
29586 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29587 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
29588 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
29589 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29590 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29591 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
29592 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
29593 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
29594 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
29595 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29596 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
29597 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
29598 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29599 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29600 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
29601 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
29602 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29603 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29604 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29605 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
29606 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
29607 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29608 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
29609 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
29610 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29611 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29612 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
29613 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
29614 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29615 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29616 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29617 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
29618 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
29619 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29620 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29621 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29622 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29623 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
29624 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
29625 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
29626 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
29627 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
29628 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29629 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
29630 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
29631 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29632 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29633 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
29634 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
29635 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
29636 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
29637 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29638 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
29639 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
29640 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29641 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29642 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
29643 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
29644 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29645 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29646 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29647 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
29648 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
29649 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29650 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
29651 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
29652 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29653 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29654 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
29655 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
29656 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29657 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29658 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29659 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
29660 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
29661 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29662 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29663 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29664 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29665 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
29666 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
29667 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
29668 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29669 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
29670 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
29671 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29672 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29673 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
29674 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
29675 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
29676 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
29677 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29678 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
29679 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
29680 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29681 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29682 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
29683 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
29684 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29685 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29686 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29687 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
29688 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
29689 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29690 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
29691 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
29692 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29693 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29694 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
29695 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
29696 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29697 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29698 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29699 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
29700 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
29701 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29702 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29703 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29704 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29705 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
29706 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
29707 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
29708 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
29709 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
29710 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29711 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
29712 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
29713 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29714 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29715 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
29716 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
29717 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
29718 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
29719 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29720 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
29721 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
29722 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29723 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29724 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
29725 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
29726 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29727 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29728 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29729 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
29730 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
29731 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29732 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
29733 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
29734 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29735 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29736 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
29737 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
29738 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29739 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29740 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29741 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
29742 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
29743 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29744 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29745 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29746 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29747 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
29748 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
29749 r1 = r1 + dr
29750 END DO
29751
29752 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
29753 END SUBROUTINE
29754 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_4_exp_0 ( &
29755 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
29756 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
29757 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
29758 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
29759 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
29760 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
29761 r_pow_t, r_tmp, rr1_delta, rr2_delta
29762
29763 REAL(kind=dp) :: c1, c2, c3
29764 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
29765 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
29766 & s_r_t2_9
29767 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
29768 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
29769 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
29770 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
29771 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
29772 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
29773 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
29774 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
29775 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
29776 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
29777
29778
29779 dr = lgth
29780 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
29781
29782 s_r(:, :, :) = 0.0_dp
29783
29784 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
29785
29786 h_to_c_0_0 = sqrt(alpha/pi)
29787
29788 h_to_c_0_1 = 0.0_dp
29789 h_to_c_1_1 = +2*alpha*h_to_c_0_0
29790 h_to_c_0_2 = -1*h_to_c_1_1
29791 h_to_c_1_2 = +2*alpha*h_to_c_0_1
29792 h_to_c_2_2 = +2*alpha*h_to_c_1_1
29793 h_to_c_0_3 = -1*h_to_c_1_2
29794 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
29795 h_to_c_2_3 = +2*alpha*h_to_c_1_2
29796 h_to_c_3_3 = +2*alpha*h_to_c_2_2
29797 h_to_c_0_4 = -1*h_to_c_1_3
29798 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
29799 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
29800 h_to_c_3_4 = +2*alpha*h_to_c_2_3
29801 h_to_c_4_4 = +2*alpha*h_to_c_3_3
29802 h_to_c_0_5 = -1*h_to_c_1_4
29803 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
29804 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
29805 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
29806 h_to_c_4_5 = +2*alpha*h_to_c_3_4
29807 h_to_c_5_5 = +2*alpha*h_to_c_4_4
29808 h_to_c_0_6 = -1*h_to_c_1_5
29809 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
29810 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
29811 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
29812 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
29813 h_to_c_5_6 = +2*alpha*h_to_c_4_5
29814 h_to_c_6_6 = +2*alpha*h_to_c_5_5
29815 h_to_c_0_7 = -1*h_to_c_1_6
29816 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
29817 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
29818 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
29819 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
29820 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
29821 h_to_c_6_7 = +2*alpha*h_to_c_5_6
29822 h_to_c_7_7 = +2*alpha*h_to_c_6_6
29823 h_to_c_0_8 = -1*h_to_c_1_7
29824 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
29825 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
29826 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
29827 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
29828 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
29829 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
29830 h_to_c_7_8 = +2*alpha*h_to_c_6_7
29831 h_to_c_8_8 = +2*alpha*h_to_c_7_7
29832 h_to_c_0_9 = -1*h_to_c_1_8
29833 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
29834 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
29835 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
29836 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
29837 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
29838 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
29839 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
29840 h_to_c_8_9 = +2*alpha*h_to_c_7_8
29841 h_to_c_9_9 = +2*alpha*h_to_c_8_8
29842
29843
29844 rr1_delta = (ra - rb)/dr
29845
29846 rr1_l = ceiling(-r_c(1) + rr1_delta)
29847 rr1_r = floor(r_c(1) + rr1_delta)
29848
29849 r1 = rr1_l*dr
29850
29851 alpha_e = zeta*zetb/(zeta + zetb)
29852
29853 DO rr1 = rr1_l, rr1_r
29854 s_r_t_0 = 0.0_dp
29855 s_r_t2_0 = 0.0_dp
29856 s_r_t_1 = 0.0_dp
29857 s_r_t2_1 = 0.0_dp
29858 s_r_t_2 = 0.0_dp
29859 s_r_t2_2 = 0.0_dp
29860 s_r_t_3 = 0.0_dp
29861 s_r_t2_3 = 0.0_dp
29862 s_r_t_4 = 0.0_dp
29863 s_r_t2_4 = 0.0_dp
29864 s_r_t_5 = 0.0_dp
29865 s_r_t2_5 = 0.0_dp
29866 s_r_t_6 = 0.0_dp
29867 s_r_t2_6 = 0.0_dp
29868 s_r_t_7 = 0.0_dp
29869 s_r_t2_7 = 0.0_dp
29870 s_r_t_8 = 0.0_dp
29871 s_r_t2_8 = 0.0_dp
29872 s_r_t_9 = 0.0_dp
29873 s_r_t2_9 = 0.0_dp
29874 r_tmp = r_offset + r1*zeta/(zeta + zetb)
29875 rr2_delta = -r_tmp/dr
29876
29877 rr2_l = ceiling(-r_c(2) + rr2_delta)
29878 rr2_r = floor(r_c(2) + rr2_delta)
29879
29880 r = r_tmp + (rr2_l)*dr
29881
29882
29883 DO rr2 = rr2_l, rr2_r
29884 r_pow_t = 1.0_dp
29885 exp2_rsq = exp(-alpha*r*r)
29886 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
29887 r_pow_t = r_pow_t*r
29888 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
29889 r_pow_t = r_pow_t*r
29890 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
29891 r_pow_t = r_pow_t*r
29892 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
29893 r_pow_t = r_pow_t*r
29894 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
29895 r_pow_t = r_pow_t*r
29896 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
29897 r_pow_t = r_pow_t*r
29898 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
29899 r_pow_t = r_pow_t*r
29900 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
29901 r_pow_t = r_pow_t*r
29902 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
29903 r_pow_t = r_pow_t*r
29904 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
29905
29906 r = r + dr
29907 END DO
29908
29909 ! C --> H
29910 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
29911 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
29912 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
29913 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
29914 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
29915 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
29916 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
29917 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
29918 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
29919 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
29920 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
29921 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
29922 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
29923 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
29924 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
29925 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
29926 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
29927 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
29928 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
29929 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
29930 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
29931 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
29932 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
29933 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
29934 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
29935 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
29936 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
29937 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
29938 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
29939 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
29940 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
29941 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
29942 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
29943 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
29944 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
29945 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
29946 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
29947 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
29948 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
29949 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
29950 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
29951 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
29952 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
29953 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
29954 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
29955 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
29956 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
29957 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
29958 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
29959 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
29960 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
29961 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
29962 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
29963 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
29964 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
29965
29966 ! H --> HH
29967 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
29968
29969 c1 = 1.0_dp/(zeta + zetb)
29970 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
29971 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
29972
29973 e_0_1_0 = zeta*( &
29974 +c2*e_0_0_0&
29975
29976 )
29977 e_0_0_1 = zetb*( &
29978 +c3*e_0_0_0&
29979
29980 )
29981 e_1_1_0 = zeta*( c1*e_0_0_0 &
29982
29983
29984 )
29985 e_1_0_1 = zetb*( c1*e_0_0_0 &
29986
29987
29988 )
29989 e_0_2_0 = zeta*( &
29990 +c2*e_0_1_0&
29991 +2*e_1_1_0 &
29992 -2*e_0_0_0)
29993 e_0_1_1 = zetb*( &
29994 +c3*e_0_1_0&
29995 +2*e_1_1_0 &
29996 )
29997 e_1_2_0 = zeta*( c1*e_0_1_0 &
29998 +c2*e_1_1_0&
29999
30000 )
30001 e_1_1_1 = zetb*( c1*e_0_1_0 &
30002 +c3*e_1_1_0&
30003
30004 )
30005 e_2_2_0 = zeta*( c1*e_1_1_0 &
30006
30007
30008 )
30009 e_2_1_1 = zetb*( c1*e_1_1_0 &
30010
30011
30012 )
30013 e_0_3_0 = zeta*( &
30014 +c2*e_0_2_0&
30015 +2*e_1_2_0 &
30016 -4*e_0_1_0)
30017 e_0_2_1 = zetb*( &
30018 +c3*e_0_2_0&
30019 +2*e_1_2_0 &
30020 )
30021 e_1_3_0 = zeta*( c1*e_0_2_0 &
30022 +c2*e_1_2_0&
30023 +4*e_2_2_0 &
30024 -4*e_1_1_0)
30025 e_1_2_1 = zetb*( c1*e_0_2_0 &
30026 +c3*e_1_2_0&
30027 +4*e_2_2_0 &
30028 )
30029 e_2_3_0 = zeta*( c1*e_1_2_0 &
30030 +c2*e_2_2_0&
30031
30032 )
30033 e_2_2_1 = zetb*( c1*e_1_2_0 &
30034 +c3*e_2_2_0&
30035
30036 )
30037 e_3_3_0 = zeta*( c1*e_2_2_0 &
30038
30039
30040 )
30041 e_3_2_1 = zetb*( c1*e_2_2_0 &
30042
30043
30044 )
30045 e_0_3_1 = zetb*( &
30046 +c3*e_0_3_0&
30047 +2*e_1_3_0 &
30048 )
30049 e_1_3_1 = zetb*( c1*e_0_3_0 &
30050 +c3*e_1_3_0&
30051 +4*e_2_3_0 &
30052 )
30053 e_2_3_1 = zetb*( c1*e_1_3_0 &
30054 +c3*e_2_3_0&
30055 +6*e_3_3_0 &
30056 )
30057 e_3_3_1 = zetb*( c1*e_2_3_0 &
30058 +c3*e_3_3_0&
30059
30060 )
30061 e_4_3_1 = zetb*( c1*e_3_3_0 &
30062
30063
30064 )
30065 e_0_1_1 = zeta*( &
30066 +c2*e_0_0_1&
30067 +2*e_1_0_1 &
30068 )
30069 e_0_0_2 = zetb*( &
30070 +c3*e_0_0_1&
30071 +2*e_1_0_1 &
30072 -2*e_0_0_0)
30073 e_1_1_1 = zeta*( c1*e_0_0_1 &
30074 +c2*e_1_0_1&
30075
30076 )
30077 e_1_0_2 = zetb*( c1*e_0_0_1 &
30078 +c3*e_1_0_1&
30079
30080 )
30081 e_2_1_1 = zeta*( c1*e_1_0_1 &
30082
30083
30084 )
30085 e_2_0_2 = zetb*( c1*e_1_0_1 &
30086
30087
30088 )
30089 e_0_2_1 = zeta*( &
30090 +c2*e_0_1_1&
30091 +2*e_1_1_1 &
30092 -2*e_0_0_1)
30093 e_0_1_2 = zetb*( &
30094 +c3*e_0_1_1&
30095 +2*e_1_1_1 &
30096 -2*e_0_1_0)
30097 e_1_2_1 = zeta*( c1*e_0_1_1 &
30098 +c2*e_1_1_1&
30099 +4*e_2_1_1 &
30100 -2*e_1_0_1)
30101 e_1_1_2 = zetb*( c1*e_0_1_1 &
30102 +c3*e_1_1_1&
30103 +4*e_2_1_1 &
30104 -2*e_1_1_0)
30105 e_2_2_1 = zeta*( c1*e_1_1_1 &
30106 +c2*e_2_1_1&
30107
30108 )
30109 e_2_1_2 = zetb*( c1*e_1_1_1 &
30110 +c3*e_2_1_1&
30111
30112 )
30113 e_3_2_1 = zeta*( c1*e_2_1_1 &
30114
30115
30116 )
30117 e_3_1_2 = zetb*( c1*e_2_1_1 &
30118
30119
30120 )
30121 e_0_3_1 = zeta*( &
30122 +c2*e_0_2_1&
30123 +2*e_1_2_1 &
30124 -4*e_0_1_1)
30125 e_0_2_2 = zetb*( &
30126 +c3*e_0_2_1&
30127 +2*e_1_2_1 &
30128 -2*e_0_2_0)
30129 e_1_3_1 = zeta*( c1*e_0_2_1 &
30130 +c2*e_1_2_1&
30131 +4*e_2_2_1 &
30132 -4*e_1_1_1)
30133 e_1_2_2 = zetb*( c1*e_0_2_1 &
30134 +c3*e_1_2_1&
30135 +4*e_2_2_1 &
30136 -2*e_1_2_0)
30137 e_2_3_1 = zeta*( c1*e_1_2_1 &
30138 +c2*e_2_2_1&
30139 +6*e_3_2_1 &
30140 -4*e_2_1_1)
30141 e_2_2_2 = zetb*( c1*e_1_2_1 &
30142 +c3*e_2_2_1&
30143 +6*e_3_2_1 &
30144 -2*e_2_2_0)
30145 e_3_3_1 = zeta*( c1*e_2_2_1 &
30146 +c2*e_3_2_1&
30147
30148 )
30149 e_3_2_2 = zetb*( c1*e_2_2_1 &
30150 +c3*e_3_2_1&
30151
30152 )
30153 e_4_3_1 = zeta*( c1*e_3_2_1 &
30154
30155
30156 )
30157 e_4_2_2 = zetb*( c1*e_3_2_1 &
30158
30159
30160 )
30161 e_0_3_2 = zetb*( &
30162 +c3*e_0_3_1&
30163 +2*e_1_3_1 &
30164 -2*e_0_3_0)
30165 e_1_3_2 = zetb*( c1*e_0_3_1 &
30166 +c3*e_1_3_1&
30167 +4*e_2_3_1 &
30168 -2*e_1_3_0)
30169 e_2_3_2 = zetb*( c1*e_1_3_1 &
30170 +c3*e_2_3_1&
30171 +6*e_3_3_1 &
30172 -2*e_2_3_0)
30173 e_3_3_2 = zetb*( c1*e_2_3_1 &
30174 +c3*e_3_3_1&
30175 +8*e_4_3_1 &
30176 -2*e_3_3_0)
30177 e_4_3_2 = zetb*( c1*e_3_3_1 &
30178 +c3*e_4_3_1&
30179
30180 )
30181 e_5_3_2 = zetb*( c1*e_4_3_1 &
30182
30183
30184 )
30185 e_0_1_2 = zeta*( &
30186 +c2*e_0_0_2&
30187 +2*e_1_0_2 &
30188 )
30189 e_1_1_2 = zeta*( c1*e_0_0_2 &
30190 +c2*e_1_0_2&
30191 +4*e_2_0_2 &
30192 )
30193 e_2_1_2 = zeta*( c1*e_1_0_2 &
30194 +c2*e_2_0_2&
30195
30196 )
30197 e_3_1_2 = zeta*( c1*e_2_0_2 &
30198
30199
30200 )
30201 e_0_2_2 = zeta*( &
30202 +c2*e_0_1_2&
30203 +2*e_1_1_2 &
30204 -2*e_0_0_2)
30205 e_1_2_2 = zeta*( c1*e_0_1_2 &
30206 +c2*e_1_1_2&
30207 +4*e_2_1_2 &
30208 -2*e_1_0_2)
30209 e_2_2_2 = zeta*( c1*e_1_1_2 &
30210 +c2*e_2_1_2&
30211 +6*e_3_1_2 &
30212 -2*e_2_0_2)
30213 e_3_2_2 = zeta*( c1*e_2_1_2 &
30214 +c2*e_3_1_2&
30215
30216 )
30217 e_4_2_2 = zeta*( c1*e_3_1_2 &
30218
30219
30220 )
30221 e_0_3_2 = zeta*( &
30222 +c2*e_0_2_2&
30223 +2*e_1_2_2 &
30224 -4*e_0_1_2)
30225 e_1_3_2 = zeta*( c1*e_0_2_2 &
30226 +c2*e_1_2_2&
30227 +4*e_2_2_2 &
30228 -4*e_1_1_2)
30229 e_2_3_2 = zeta*( c1*e_1_2_2 &
30230 +c2*e_2_2_2&
30231 +6*e_3_2_2 &
30232 -4*e_2_1_2)
30233 e_3_3_2 = zeta*( c1*e_2_2_2 &
30234 +c2*e_3_2_2&
30235 +8*e_4_2_2 &
30236 -4*e_3_1_2)
30237 e_4_3_2 = zeta*( c1*e_3_2_2 &
30238 +c2*e_4_2_2&
30239
30240 )
30241 e_5_3_2 = zeta*( c1*e_4_2_2 &
30242
30243
30244 )
30245
30246 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
30247 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
30248 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
30249 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
30250 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
30251 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
30252 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
30253 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
30254 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
30255 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
30256 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
30257 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
30258 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
30259 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
30260 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
30261 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
30262 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
30263 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
30264 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
30265 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
30266 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
30267 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
30268 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
30269 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30270 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
30271 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
30272 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
30273 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
30274 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
30275 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
30276 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
30277 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
30278 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
30279 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
30280 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
30281 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30282 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
30283 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
30284 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
30285 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
30286 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30287 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30288 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
30289 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
30290 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
30291 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
30292 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
30293 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
30294 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
30295 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
30296 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
30297 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
30298 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
30299 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
30300 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
30301 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
30302 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
30303 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
30304 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
30305 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
30306 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
30307 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
30308 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
30309 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
30310 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
30311 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
30312 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
30313 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
30314 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
30315 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
30316 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
30317 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
30318 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
30319 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
30320 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
30321 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
30322 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
30323 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
30324 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
30325 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
30326 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
30327 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
30328 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
30329 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
30330 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
30331 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
30332 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
30333 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
30334 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
30335 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
30336 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
30337 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
30338 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
30339 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
30340 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
30341 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
30342 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
30343 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
30344 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
30345 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
30346 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
30347 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
30348 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
30349 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
30350 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
30351 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30352 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
30353 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
30354 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
30355 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
30356 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
30357 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
30358 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
30359 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
30360 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
30361 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
30362 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
30363 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30364 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
30365 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
30366 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
30367 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
30368 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30369 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30370 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
30371 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
30372 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
30373 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
30374 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
30375 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
30376 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
30377 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
30378 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
30379 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
30380 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
30381 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
30382 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
30383 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
30384 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
30385 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
30386 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
30387 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
30388 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
30389 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
30390 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
30391 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
30392 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
30393 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
30394 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
30395 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
30396 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
30397 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
30398 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
30399 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
30400 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
30401 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
30402 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
30403 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
30404 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
30405 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
30406 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
30407 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
30408 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
30409 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
30410 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
30411 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
30412 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
30413 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
30414 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
30415 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
30416 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
30417 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
30418 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
30419 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
30420 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
30421 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
30422 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
30423 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
30424 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
30425 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
30426 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
30427 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
30428 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
30429 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
30430 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
30431 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
30432 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
30433 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30434 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
30435 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
30436 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
30437 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
30438 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
30439 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
30440 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
30441 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
30442 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
30443 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
30444 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
30445 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30446 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
30447 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
30448 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
30449 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
30450 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30451 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30452 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
30453 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
30454 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
30455 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
30456 r1 = r1 + dr
30457 END DO
30458
30459 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
30460 END SUBROUTINE
30461 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_0_exp_0 ( &
30462 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
30463 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
30464 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
30465 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
30466 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
30467 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
30468 r_pow_t, r_tmp, rr1_delta, rr2_delta
30469
30470 REAL(kind=dp) :: c1, c2, c3
30471 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
30472 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
30473 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
30474 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
30475 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
30476 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
30477 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
30478 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
30479 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
30480 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
30481
30482
30483 dr = lgth
30484 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
30485
30486 s_r(:, :, :) = 0.0_dp
30487
30488 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
30489
30490 h_to_c_0_0 = sqrt(alpha/pi)
30491
30492 h_to_c_0_1 = 0.0_dp
30493 h_to_c_1_1 = +2*alpha*h_to_c_0_0
30494 h_to_c_0_2 = -1*h_to_c_1_1
30495 h_to_c_1_2 = +2*alpha*h_to_c_0_1
30496 h_to_c_2_2 = +2*alpha*h_to_c_1_1
30497 h_to_c_0_3 = -1*h_to_c_1_2
30498 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
30499 h_to_c_2_3 = +2*alpha*h_to_c_1_2
30500 h_to_c_3_3 = +2*alpha*h_to_c_2_2
30501 h_to_c_0_4 = -1*h_to_c_1_3
30502 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
30503 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
30504 h_to_c_3_4 = +2*alpha*h_to_c_2_3
30505 h_to_c_4_4 = +2*alpha*h_to_c_3_3
30506 h_to_c_0_5 = -1*h_to_c_1_4
30507 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
30508 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
30509 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
30510 h_to_c_4_5 = +2*alpha*h_to_c_3_4
30511 h_to_c_5_5 = +2*alpha*h_to_c_4_4
30512 h_to_c_0_6 = -1*h_to_c_1_5
30513 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
30514 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
30515 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
30516 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
30517 h_to_c_5_6 = +2*alpha*h_to_c_4_5
30518 h_to_c_6_6 = +2*alpha*h_to_c_5_5
30519
30520
30521 rr1_delta = (ra - rb)/dr
30522
30523 rr1_l = ceiling(-r_c(1) + rr1_delta)
30524 rr1_r = floor(r_c(1) + rr1_delta)
30525
30526 r1 = rr1_l*dr
30527
30528 alpha_e = zeta*zetb/(zeta + zetb)
30529
30530 DO rr1 = rr1_l, rr1_r
30531 s_r_t_0 = 0.0_dp
30532 s_r_t2_0 = 0.0_dp
30533 s_r_t_1 = 0.0_dp
30534 s_r_t2_1 = 0.0_dp
30535 s_r_t_2 = 0.0_dp
30536 s_r_t2_2 = 0.0_dp
30537 s_r_t_3 = 0.0_dp
30538 s_r_t2_3 = 0.0_dp
30539 s_r_t_4 = 0.0_dp
30540 s_r_t2_4 = 0.0_dp
30541 s_r_t_5 = 0.0_dp
30542 s_r_t2_5 = 0.0_dp
30543 s_r_t_6 = 0.0_dp
30544 s_r_t2_6 = 0.0_dp
30545 r_tmp = r_offset + r1*zeta/(zeta + zetb)
30546 rr2_delta = -r_tmp/dr
30547
30548 rr2_l = ceiling(-r_c(2) + rr2_delta)
30549 rr2_r = floor(r_c(2) + rr2_delta)
30550
30551 r = r_tmp + (rr2_l)*dr
30552
30553
30554 DO rr2 = rr2_l, rr2_r
30555 r_pow_t = 1.0_dp
30556 exp2_rsq = exp(-alpha*r*r)
30557 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
30558 r_pow_t = r_pow_t*r
30559 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
30560 r_pow_t = r_pow_t*r
30561 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
30562 r_pow_t = r_pow_t*r
30563 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
30564 r_pow_t = r_pow_t*r
30565 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
30566 r_pow_t = r_pow_t*r
30567 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
30568 r_pow_t = r_pow_t*r
30569 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
30570
30571 r = r + dr
30572 END DO
30573
30574 ! C --> H
30575 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
30576 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
30577 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
30578 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
30579 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
30580 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
30581 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
30582 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
30583 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
30584 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
30585 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
30586 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
30587 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
30588 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
30589 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
30590 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
30591 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
30592 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
30593 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
30594 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
30595 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
30596 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
30597 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
30598 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
30599 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
30600 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
30601 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
30602 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
30603
30604 ! H --> HH
30605 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
30606
30607 c1 = 1.0_dp/(zeta + zetb)
30608 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
30609 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
30610
30611 e_0_1_0 = zeta*( &
30612 +c2*e_0_0_0&
30613
30614 )
30615 e_0_0_1 = zetb*( &
30616 +c3*e_0_0_0&
30617
30618 )
30619 e_1_1_0 = zeta*( c1*e_0_0_0 &
30620
30621
30622 )
30623 e_1_0_1 = zetb*( c1*e_0_0_0 &
30624
30625
30626 )
30627 e_0_2_0 = zeta*( &
30628 +c2*e_0_1_0&
30629 +2*e_1_1_0 &
30630 -2*e_0_0_0)
30631 e_0_1_1 = zetb*( &
30632 +c3*e_0_1_0&
30633 +2*e_1_1_0 &
30634 )
30635 e_1_2_0 = zeta*( c1*e_0_1_0 &
30636 +c2*e_1_1_0&
30637
30638 )
30639 e_1_1_1 = zetb*( c1*e_0_1_0 &
30640 +c3*e_1_1_0&
30641
30642 )
30643 e_2_2_0 = zeta*( c1*e_1_1_0 &
30644
30645
30646 )
30647 e_2_1_1 = zetb*( c1*e_1_1_0 &
30648
30649
30650 )
30651 e_0_3_0 = zeta*( &
30652 +c2*e_0_2_0&
30653 +2*e_1_2_0 &
30654 -4*e_0_1_0)
30655 e_0_2_1 = zetb*( &
30656 +c3*e_0_2_0&
30657 +2*e_1_2_0 &
30658 )
30659 e_1_3_0 = zeta*( c1*e_0_2_0 &
30660 +c2*e_1_2_0&
30661 +4*e_2_2_0 &
30662 -4*e_1_1_0)
30663 e_1_2_1 = zetb*( c1*e_0_2_0 &
30664 +c3*e_1_2_0&
30665 +4*e_2_2_0 &
30666 )
30667 e_2_3_0 = zeta*( c1*e_1_2_0 &
30668 +c2*e_2_2_0&
30669
30670 )
30671 e_2_2_1 = zetb*( c1*e_1_2_0 &
30672 +c3*e_2_2_0&
30673
30674 )
30675 e_3_3_0 = zeta*( c1*e_2_2_0 &
30676
30677
30678 )
30679 e_3_2_1 = zetb*( c1*e_2_2_0 &
30680
30681
30682 )
30683 e_0_3_1 = zetb*( &
30684 +c3*e_0_3_0&
30685 +2*e_1_3_0 &
30686 )
30687 e_1_3_1 = zetb*( c1*e_0_3_0 &
30688 +c3*e_1_3_0&
30689 +4*e_2_3_0 &
30690 )
30691 e_2_3_1 = zetb*( c1*e_1_3_0 &
30692 +c3*e_2_3_0&
30693 +6*e_3_3_0 &
30694 )
30695 e_3_3_1 = zetb*( c1*e_2_3_0 &
30696 +c3*e_3_3_0&
30697
30698 )
30699 e_4_3_1 = zetb*( c1*e_3_3_0 &
30700
30701
30702 )
30703 e_0_1_1 = zeta*( &
30704 +c2*e_0_0_1&
30705 +2*e_1_0_1 &
30706 )
30707 e_0_0_2 = zetb*( &
30708 +c3*e_0_0_1&
30709 +2*e_1_0_1 &
30710 -2*e_0_0_0)
30711 e_1_1_1 = zeta*( c1*e_0_0_1 &
30712 +c2*e_1_0_1&
30713
30714 )
30715 e_1_0_2 = zetb*( c1*e_0_0_1 &
30716 +c3*e_1_0_1&
30717
30718 )
30719 e_2_1_1 = zeta*( c1*e_1_0_1 &
30720
30721
30722 )
30723 e_2_0_2 = zetb*( c1*e_1_0_1 &
30724
30725
30726 )
30727 e_0_2_1 = zeta*( &
30728 +c2*e_0_1_1&
30729 +2*e_1_1_1 &
30730 -2*e_0_0_1)
30731 e_0_1_2 = zetb*( &
30732 +c3*e_0_1_1&
30733 +2*e_1_1_1 &
30734 -2*e_0_1_0)
30735 e_1_2_1 = zeta*( c1*e_0_1_1 &
30736 +c2*e_1_1_1&
30737 +4*e_2_1_1 &
30738 -2*e_1_0_1)
30739 e_1_1_2 = zetb*( c1*e_0_1_1 &
30740 +c3*e_1_1_1&
30741 +4*e_2_1_1 &
30742 -2*e_1_1_0)
30743 e_2_2_1 = zeta*( c1*e_1_1_1 &
30744 +c2*e_2_1_1&
30745
30746 )
30747 e_2_1_2 = zetb*( c1*e_1_1_1 &
30748 +c3*e_2_1_1&
30749
30750 )
30751 e_3_2_1 = zeta*( c1*e_2_1_1 &
30752
30753
30754 )
30755 e_3_1_2 = zetb*( c1*e_2_1_1 &
30756
30757
30758 )
30759 e_0_3_1 = zeta*( &
30760 +c2*e_0_2_1&
30761 +2*e_1_2_1 &
30762 -4*e_0_1_1)
30763 e_0_2_2 = zetb*( &
30764 +c3*e_0_2_1&
30765 +2*e_1_2_1 &
30766 -2*e_0_2_0)
30767 e_1_3_1 = zeta*( c1*e_0_2_1 &
30768 +c2*e_1_2_1&
30769 +4*e_2_2_1 &
30770 -4*e_1_1_1)
30771 e_1_2_2 = zetb*( c1*e_0_2_1 &
30772 +c3*e_1_2_1&
30773 +4*e_2_2_1 &
30774 -2*e_1_2_0)
30775 e_2_3_1 = zeta*( c1*e_1_2_1 &
30776 +c2*e_2_2_1&
30777 +6*e_3_2_1 &
30778 -4*e_2_1_1)
30779 e_2_2_2 = zetb*( c1*e_1_2_1 &
30780 +c3*e_2_2_1&
30781 +6*e_3_2_1 &
30782 -2*e_2_2_0)
30783 e_3_3_1 = zeta*( c1*e_2_2_1 &
30784 +c2*e_3_2_1&
30785
30786 )
30787 e_3_2_2 = zetb*( c1*e_2_2_1 &
30788 +c3*e_3_2_1&
30789
30790 )
30791 e_4_3_1 = zeta*( c1*e_3_2_1 &
30792
30793
30794 )
30795 e_4_2_2 = zetb*( c1*e_3_2_1 &
30796
30797
30798 )
30799 e_0_3_2 = zetb*( &
30800 +c3*e_0_3_1&
30801 +2*e_1_3_1 &
30802 -2*e_0_3_0)
30803 e_1_3_2 = zetb*( c1*e_0_3_1 &
30804 +c3*e_1_3_1&
30805 +4*e_2_3_1 &
30806 -2*e_1_3_0)
30807 e_2_3_2 = zetb*( c1*e_1_3_1 &
30808 +c3*e_2_3_1&
30809 +6*e_3_3_1 &
30810 -2*e_2_3_0)
30811 e_3_3_2 = zetb*( c1*e_2_3_1 &
30812 +c3*e_3_3_1&
30813 +8*e_4_3_1 &
30814 -2*e_3_3_0)
30815 e_4_3_2 = zetb*( c1*e_3_3_1 &
30816 +c3*e_4_3_1&
30817
30818 )
30819 e_5_3_2 = zetb*( c1*e_4_3_1 &
30820
30821
30822 )
30823 e_0_1_2 = zeta*( &
30824 +c2*e_0_0_2&
30825 +2*e_1_0_2 &
30826 )
30827 e_0_0_3 = zetb*( &
30828 +c3*e_0_0_2&
30829 +2*e_1_0_2 &
30830 -4*e_0_0_1)
30831 e_1_1_2 = zeta*( c1*e_0_0_2 &
30832 +c2*e_1_0_2&
30833 +4*e_2_0_2 &
30834 )
30835 e_1_0_3 = zetb*( c1*e_0_0_2 &
30836 +c3*e_1_0_2&
30837 +4*e_2_0_2 &
30838 -4*e_1_0_1)
30839 e_2_1_2 = zeta*( c1*e_1_0_2 &
30840 +c2*e_2_0_2&
30841
30842 )
30843 e_2_0_3 = zetb*( c1*e_1_0_2 &
30844 +c3*e_2_0_2&
30845
30846 )
30847 e_3_1_2 = zeta*( c1*e_2_0_2 &
30848
30849
30850 )
30851 e_3_0_3 = zetb*( c1*e_2_0_2 &
30852
30853
30854 )
30855 e_0_2_2 = zeta*( &
30856 +c2*e_0_1_2&
30857 +2*e_1_1_2 &
30858 -2*e_0_0_2)
30859 e_0_1_3 = zetb*( &
30860 +c3*e_0_1_2&
30861 +2*e_1_1_2 &
30862 -4*e_0_1_1)
30863 e_1_2_2 = zeta*( c1*e_0_1_2 &
30864 +c2*e_1_1_2&
30865 +4*e_2_1_2 &
30866 -2*e_1_0_2)
30867 e_1_1_3 = zetb*( c1*e_0_1_2 &
30868 +c3*e_1_1_2&
30869 +4*e_2_1_2 &
30870 -4*e_1_1_1)
30871 e_2_2_2 = zeta*( c1*e_1_1_2 &
30872 +c2*e_2_1_2&
30873 +6*e_3_1_2 &
30874 -2*e_2_0_2)
30875 e_2_1_3 = zetb*( c1*e_1_1_2 &
30876 +c3*e_2_1_2&
30877 +6*e_3_1_2 &
30878 -4*e_2_1_1)
30879 e_3_2_2 = zeta*( c1*e_2_1_2 &
30880 +c2*e_3_1_2&
30881
30882 )
30883 e_3_1_3 = zetb*( c1*e_2_1_2 &
30884 +c3*e_3_1_2&
30885
30886 )
30887 e_4_2_2 = zeta*( c1*e_3_1_2 &
30888
30889
30890 )
30891 e_4_1_3 = zetb*( c1*e_3_1_2 &
30892
30893
30894 )
30895 e_0_3_2 = zeta*( &
30896 +c2*e_0_2_2&
30897 +2*e_1_2_2 &
30898 -4*e_0_1_2)
30899 e_0_2_3 = zetb*( &
30900 +c3*e_0_2_2&
30901 +2*e_1_2_2 &
30902 -4*e_0_2_1)
30903 e_1_3_2 = zeta*( c1*e_0_2_2 &
30904 +c2*e_1_2_2&
30905 +4*e_2_2_2 &
30906 -4*e_1_1_2)
30907 e_1_2_3 = zetb*( c1*e_0_2_2 &
30908 +c3*e_1_2_2&
30909 +4*e_2_2_2 &
30910 -4*e_1_2_1)
30911 e_2_3_2 = zeta*( c1*e_1_2_2 &
30912 +c2*e_2_2_2&
30913 +6*e_3_2_2 &
30914 -4*e_2_1_2)
30915 e_2_2_3 = zetb*( c1*e_1_2_2 &
30916 +c3*e_2_2_2&
30917 +6*e_3_2_2 &
30918 -4*e_2_2_1)
30919 e_3_3_2 = zeta*( c1*e_2_2_2 &
30920 +c2*e_3_2_2&
30921 +8*e_4_2_2 &
30922 -4*e_3_1_2)
30923 e_3_2_3 = zetb*( c1*e_2_2_2 &
30924 +c3*e_3_2_2&
30925 +8*e_4_2_2 &
30926 -4*e_3_2_1)
30927 e_4_3_2 = zeta*( c1*e_3_2_2 &
30928 +c2*e_4_2_2&
30929
30930 )
30931 e_4_2_3 = zetb*( c1*e_3_2_2 &
30932 +c3*e_4_2_2&
30933
30934 )
30935 e_5_3_2 = zeta*( c1*e_4_2_2 &
30936
30937
30938 )
30939 e_5_2_3 = zetb*( c1*e_4_2_2 &
30940
30941
30942 )
30943 e_0_3_3 = zetb*( &
30944 +c3*e_0_3_2&
30945 +2*e_1_3_2 &
30946 -4*e_0_3_1)
30947 e_1_3_3 = zetb*( c1*e_0_3_2 &
30948 +c3*e_1_3_2&
30949 +4*e_2_3_2 &
30950 -4*e_1_3_1)
30951 e_2_3_3 = zetb*( c1*e_1_3_2 &
30952 +c3*e_2_3_2&
30953 +6*e_3_3_2 &
30954 -4*e_2_3_1)
30955 e_3_3_3 = zetb*( c1*e_2_3_2 &
30956 +c3*e_3_3_2&
30957 +8*e_4_3_2 &
30958 -4*e_3_3_1)
30959 e_4_3_3 = zetb*( c1*e_3_3_2 &
30960 +c3*e_4_3_2&
30961 +10*e_5_3_2 &
30962 -4*e_4_3_1)
30963 e_5_3_3 = zetb*( c1*e_4_3_2 &
30964 +c3*e_5_3_2&
30965
30966 )
30967 e_6_3_3 = zetb*( c1*e_5_3_2 &
30968
30969
30970 )
30971 e_0_1_3 = zeta*( &
30972 +c2*e_0_0_3&
30973 +2*e_1_0_3 &
30974 )
30975 e_1_1_3 = zeta*( c1*e_0_0_3 &
30976 +c2*e_1_0_3&
30977 +4*e_2_0_3 &
30978 )
30979 e_2_1_3 = zeta*( c1*e_1_0_3 &
30980 +c2*e_2_0_3&
30981 +6*e_3_0_3 &
30982 )
30983 e_3_1_3 = zeta*( c1*e_2_0_3 &
30984 +c2*e_3_0_3&
30985
30986 )
30987 e_4_1_3 = zeta*( c1*e_3_0_3 &
30988
30989
30990 )
30991 e_0_2_3 = zeta*( &
30992 +c2*e_0_1_3&
30993 +2*e_1_1_3 &
30994 -2*e_0_0_3)
30995 e_1_2_3 = zeta*( c1*e_0_1_3 &
30996 +c2*e_1_1_3&
30997 +4*e_2_1_3 &
30998 -2*e_1_0_3)
30999 e_2_2_3 = zeta*( c1*e_1_1_3 &
31000 +c2*e_2_1_3&
31001 +6*e_3_1_3 &
31002 -2*e_2_0_3)
31003 e_3_2_3 = zeta*( c1*e_2_1_3 &
31004 +c2*e_3_1_3&
31005 +8*e_4_1_3 &
31006 -2*e_3_0_3)
31007 e_4_2_3 = zeta*( c1*e_3_1_3 &
31008 +c2*e_4_1_3&
31009
31010 )
31011 e_5_2_3 = zeta*( c1*e_4_1_3 &
31012
31013
31014 )
31015 e_0_3_3 = zeta*( &
31016 +c2*e_0_2_3&
31017 +2*e_1_2_3 &
31018 -4*e_0_1_3)
31019 e_1_3_3 = zeta*( c1*e_0_2_3 &
31020 +c2*e_1_2_3&
31021 +4*e_2_2_3 &
31022 -4*e_1_1_3)
31023 e_2_3_3 = zeta*( c1*e_1_2_3 &
31024 +c2*e_2_2_3&
31025 +6*e_3_2_3 &
31026 -4*e_2_1_3)
31027 e_3_3_3 = zeta*( c1*e_2_2_3 &
31028 +c2*e_3_2_3&
31029 +8*e_4_2_3 &
31030 -4*e_3_1_3)
31031 e_4_3_3 = zeta*( c1*e_3_2_3 &
31032 +c2*e_4_2_3&
31033 +10*e_5_2_3 &
31034 -4*e_4_1_3)
31035 e_5_3_3 = zeta*( c1*e_4_2_3 &
31036 +c2*e_5_2_3&
31037
31038 )
31039 e_6_3_3 = zeta*( c1*e_5_2_3 &
31040
31041
31042 )
31043
31044 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
31045 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
31046 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
31047 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
31048 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
31049 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
31050 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
31051 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
31052 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
31053 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
31054 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
31055 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
31056 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
31057 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
31058 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
31059 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
31060 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
31061 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
31062 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
31063 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
31064 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
31065 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
31066 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
31067 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
31068 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
31069 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
31070 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
31071 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
31072 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
31073 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
31074 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
31075 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
31076 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
31077 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
31078 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
31079 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
31080 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
31081 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
31082 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
31083 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
31084 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
31085 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
31086 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
31087 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
31088 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
31089 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
31090 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
31091 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
31092 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
31093 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
31094 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
31095 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
31096 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
31097 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
31098 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
31099 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
31100 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
31101 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
31102 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
31103 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
31104 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
31105 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
31106 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
31107 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
31108 r1 = r1 + dr
31109 END DO
31110
31111 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
31112 END SUBROUTINE
31113 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_1_exp_0 ( &
31114 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
31115 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
31116 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
31117 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
31118 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
31119 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
31120 r_pow_t, r_tmp, rr1_delta, rr2_delta
31121
31122 REAL(kind=dp) :: c1, c2, c3
31123 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
31124 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
31125 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
31126 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
31127 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
31128 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
31129 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
31130 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
31131 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
31132 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
31133 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
31134
31135
31136 dr = lgth
31137 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
31138
31139 s_r(:, :, :) = 0.0_dp
31140
31141 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
31142
31143 h_to_c_0_0 = sqrt(alpha/pi)
31144
31145 h_to_c_0_1 = 0.0_dp
31146 h_to_c_1_1 = +2*alpha*h_to_c_0_0
31147 h_to_c_0_2 = -1*h_to_c_1_1
31148 h_to_c_1_2 = +2*alpha*h_to_c_0_1
31149 h_to_c_2_2 = +2*alpha*h_to_c_1_1
31150 h_to_c_0_3 = -1*h_to_c_1_2
31151 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
31152 h_to_c_2_3 = +2*alpha*h_to_c_1_2
31153 h_to_c_3_3 = +2*alpha*h_to_c_2_2
31154 h_to_c_0_4 = -1*h_to_c_1_3
31155 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
31156 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
31157 h_to_c_3_4 = +2*alpha*h_to_c_2_3
31158 h_to_c_4_4 = +2*alpha*h_to_c_3_3
31159 h_to_c_0_5 = -1*h_to_c_1_4
31160 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
31161 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
31162 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
31163 h_to_c_4_5 = +2*alpha*h_to_c_3_4
31164 h_to_c_5_5 = +2*alpha*h_to_c_4_4
31165 h_to_c_0_6 = -1*h_to_c_1_5
31166 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
31167 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
31168 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
31169 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
31170 h_to_c_5_6 = +2*alpha*h_to_c_4_5
31171 h_to_c_6_6 = +2*alpha*h_to_c_5_5
31172 h_to_c_0_7 = -1*h_to_c_1_6
31173 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
31174 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
31175 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
31176 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
31177 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
31178 h_to_c_6_7 = +2*alpha*h_to_c_5_6
31179 h_to_c_7_7 = +2*alpha*h_to_c_6_6
31180
31181
31182 rr1_delta = (ra - rb)/dr
31183
31184 rr1_l = ceiling(-r_c(1) + rr1_delta)
31185 rr1_r = floor(r_c(1) + rr1_delta)
31186
31187 r1 = rr1_l*dr
31188
31189 alpha_e = zeta*zetb/(zeta + zetb)
31190
31191 DO rr1 = rr1_l, rr1_r
31192 s_r_t_0 = 0.0_dp
31193 s_r_t2_0 = 0.0_dp
31194 s_r_t_1 = 0.0_dp
31195 s_r_t2_1 = 0.0_dp
31196 s_r_t_2 = 0.0_dp
31197 s_r_t2_2 = 0.0_dp
31198 s_r_t_3 = 0.0_dp
31199 s_r_t2_3 = 0.0_dp
31200 s_r_t_4 = 0.0_dp
31201 s_r_t2_4 = 0.0_dp
31202 s_r_t_5 = 0.0_dp
31203 s_r_t2_5 = 0.0_dp
31204 s_r_t_6 = 0.0_dp
31205 s_r_t2_6 = 0.0_dp
31206 s_r_t_7 = 0.0_dp
31207 s_r_t2_7 = 0.0_dp
31208 r_tmp = r_offset + r1*zeta/(zeta + zetb)
31209 rr2_delta = -r_tmp/dr
31210
31211 rr2_l = ceiling(-r_c(2) + rr2_delta)
31212 rr2_r = floor(r_c(2) + rr2_delta)
31213
31214 r = r_tmp + (rr2_l)*dr
31215
31216
31217 DO rr2 = rr2_l, rr2_r
31218 r_pow_t = 1.0_dp
31219 exp2_rsq = exp(-alpha*r*r)
31220 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
31221 r_pow_t = r_pow_t*r
31222 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
31223 r_pow_t = r_pow_t*r
31224 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
31225 r_pow_t = r_pow_t*r
31226 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
31227 r_pow_t = r_pow_t*r
31228 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
31229 r_pow_t = r_pow_t*r
31230 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
31231 r_pow_t = r_pow_t*r
31232 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
31233 r_pow_t = r_pow_t*r
31234 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
31235
31236 r = r + dr
31237 END DO
31238
31239 ! C --> H
31240 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
31241 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
31242 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
31243 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
31244 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
31245 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
31246 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
31247 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
31248 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
31249 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
31250 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
31251 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
31252 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
31253 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
31254 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
31255 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
31256 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
31257 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
31258 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
31259 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
31260 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
31261 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
31262 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
31263 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
31264 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
31265 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
31266 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
31267 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
31268 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
31269 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
31270 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
31271 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
31272 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
31273 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
31274 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
31275 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
31276
31277 ! H --> HH
31278 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
31279
31280 c1 = 1.0_dp/(zeta + zetb)
31281 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
31282 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
31283
31284 e_0_1_0 = zeta*( &
31285 +c2*e_0_0_0&
31286
31287 )
31288 e_0_0_1 = zetb*( &
31289 +c3*e_0_0_0&
31290
31291 )
31292 e_1_1_0 = zeta*( c1*e_0_0_0 &
31293
31294
31295 )
31296 e_1_0_1 = zetb*( c1*e_0_0_0 &
31297
31298
31299 )
31300 e_0_2_0 = zeta*( &
31301 +c2*e_0_1_0&
31302 +2*e_1_1_0 &
31303 -2*e_0_0_0)
31304 e_0_1_1 = zetb*( &
31305 +c3*e_0_1_0&
31306 +2*e_1_1_0 &
31307 )
31308 e_1_2_0 = zeta*( c1*e_0_1_0 &
31309 +c2*e_1_1_0&
31310
31311 )
31312 e_1_1_1 = zetb*( c1*e_0_1_0 &
31313 +c3*e_1_1_0&
31314
31315 )
31316 e_2_2_0 = zeta*( c1*e_1_1_0 &
31317
31318
31319 )
31320 e_2_1_1 = zetb*( c1*e_1_1_0 &
31321
31322
31323 )
31324 e_0_3_0 = zeta*( &
31325 +c2*e_0_2_0&
31326 +2*e_1_2_0 &
31327 -4*e_0_1_0)
31328 e_0_2_1 = zetb*( &
31329 +c3*e_0_2_0&
31330 +2*e_1_2_0 &
31331 )
31332 e_1_3_0 = zeta*( c1*e_0_2_0 &
31333 +c2*e_1_2_0&
31334 +4*e_2_2_0 &
31335 -4*e_1_1_0)
31336 e_1_2_1 = zetb*( c1*e_0_2_0 &
31337 +c3*e_1_2_0&
31338 +4*e_2_2_0 &
31339 )
31340 e_2_3_0 = zeta*( c1*e_1_2_0 &
31341 +c2*e_2_2_0&
31342
31343 )
31344 e_2_2_1 = zetb*( c1*e_1_2_0 &
31345 +c3*e_2_2_0&
31346
31347 )
31348 e_3_3_0 = zeta*( c1*e_2_2_0 &
31349
31350
31351 )
31352 e_3_2_1 = zetb*( c1*e_2_2_0 &
31353
31354
31355 )
31356 e_0_3_1 = zetb*( &
31357 +c3*e_0_3_0&
31358 +2*e_1_3_0 &
31359 )
31360 e_1_3_1 = zetb*( c1*e_0_3_0 &
31361 +c3*e_1_3_0&
31362 +4*e_2_3_0 &
31363 )
31364 e_2_3_1 = zetb*( c1*e_1_3_0 &
31365 +c3*e_2_3_0&
31366 +6*e_3_3_0 &
31367 )
31368 e_3_3_1 = zetb*( c1*e_2_3_0 &
31369 +c3*e_3_3_0&
31370
31371 )
31372 e_4_3_1 = zetb*( c1*e_3_3_0 &
31373
31374
31375 )
31376 e_0_1_1 = zeta*( &
31377 +c2*e_0_0_1&
31378 +2*e_1_0_1 &
31379 )
31380 e_0_0_2 = zetb*( &
31381 +c3*e_0_0_1&
31382 +2*e_1_0_1 &
31383 -2*e_0_0_0)
31384 e_1_1_1 = zeta*( c1*e_0_0_1 &
31385 +c2*e_1_0_1&
31386
31387 )
31388 e_1_0_2 = zetb*( c1*e_0_0_1 &
31389 +c3*e_1_0_1&
31390
31391 )
31392 e_2_1_1 = zeta*( c1*e_1_0_1 &
31393
31394
31395 )
31396 e_2_0_2 = zetb*( c1*e_1_0_1 &
31397
31398
31399 )
31400 e_0_2_1 = zeta*( &
31401 +c2*e_0_1_1&
31402 +2*e_1_1_1 &
31403 -2*e_0_0_1)
31404 e_0_1_2 = zetb*( &
31405 +c3*e_0_1_1&
31406 +2*e_1_1_1 &
31407 -2*e_0_1_0)
31408 e_1_2_1 = zeta*( c1*e_0_1_1 &
31409 +c2*e_1_1_1&
31410 +4*e_2_1_1 &
31411 -2*e_1_0_1)
31412 e_1_1_2 = zetb*( c1*e_0_1_1 &
31413 +c3*e_1_1_1&
31414 +4*e_2_1_1 &
31415 -2*e_1_1_0)
31416 e_2_2_1 = zeta*( c1*e_1_1_1 &
31417 +c2*e_2_1_1&
31418
31419 )
31420 e_2_1_2 = zetb*( c1*e_1_1_1 &
31421 +c3*e_2_1_1&
31422
31423 )
31424 e_3_2_1 = zeta*( c1*e_2_1_1 &
31425
31426
31427 )
31428 e_3_1_2 = zetb*( c1*e_2_1_1 &
31429
31430
31431 )
31432 e_0_3_1 = zeta*( &
31433 +c2*e_0_2_1&
31434 +2*e_1_2_1 &
31435 -4*e_0_1_1)
31436 e_0_2_2 = zetb*( &
31437 +c3*e_0_2_1&
31438 +2*e_1_2_1 &
31439 -2*e_0_2_0)
31440 e_1_3_1 = zeta*( c1*e_0_2_1 &
31441 +c2*e_1_2_1&
31442 +4*e_2_2_1 &
31443 -4*e_1_1_1)
31444 e_1_2_2 = zetb*( c1*e_0_2_1 &
31445 +c3*e_1_2_1&
31446 +4*e_2_2_1 &
31447 -2*e_1_2_0)
31448 e_2_3_1 = zeta*( c1*e_1_2_1 &
31449 +c2*e_2_2_1&
31450 +6*e_3_2_1 &
31451 -4*e_2_1_1)
31452 e_2_2_2 = zetb*( c1*e_1_2_1 &
31453 +c3*e_2_2_1&
31454 +6*e_3_2_1 &
31455 -2*e_2_2_0)
31456 e_3_3_1 = zeta*( c1*e_2_2_1 &
31457 +c2*e_3_2_1&
31458
31459 )
31460 e_3_2_2 = zetb*( c1*e_2_2_1 &
31461 +c3*e_3_2_1&
31462
31463 )
31464 e_4_3_1 = zeta*( c1*e_3_2_1 &
31465
31466
31467 )
31468 e_4_2_2 = zetb*( c1*e_3_2_1 &
31469
31470
31471 )
31472 e_0_3_2 = zetb*( &
31473 +c3*e_0_3_1&
31474 +2*e_1_3_1 &
31475 -2*e_0_3_0)
31476 e_1_3_2 = zetb*( c1*e_0_3_1 &
31477 +c3*e_1_3_1&
31478 +4*e_2_3_1 &
31479 -2*e_1_3_0)
31480 e_2_3_2 = zetb*( c1*e_1_3_1 &
31481 +c3*e_2_3_1&
31482 +6*e_3_3_1 &
31483 -2*e_2_3_0)
31484 e_3_3_2 = zetb*( c1*e_2_3_1 &
31485 +c3*e_3_3_1&
31486 +8*e_4_3_1 &
31487 -2*e_3_3_0)
31488 e_4_3_2 = zetb*( c1*e_3_3_1 &
31489 +c3*e_4_3_1&
31490
31491 )
31492 e_5_3_2 = zetb*( c1*e_4_3_1 &
31493
31494
31495 )
31496 e_0_1_2 = zeta*( &
31497 +c2*e_0_0_2&
31498 +2*e_1_0_2 &
31499 )
31500 e_0_0_3 = zetb*( &
31501 +c3*e_0_0_2&
31502 +2*e_1_0_2 &
31503 -4*e_0_0_1)
31504 e_1_1_2 = zeta*( c1*e_0_0_2 &
31505 +c2*e_1_0_2&
31506 +4*e_2_0_2 &
31507 )
31508 e_1_0_3 = zetb*( c1*e_0_0_2 &
31509 +c3*e_1_0_2&
31510 +4*e_2_0_2 &
31511 -4*e_1_0_1)
31512 e_2_1_2 = zeta*( c1*e_1_0_2 &
31513 +c2*e_2_0_2&
31514
31515 )
31516 e_2_0_3 = zetb*( c1*e_1_0_2 &
31517 +c3*e_2_0_2&
31518
31519 )
31520 e_3_1_2 = zeta*( c1*e_2_0_2 &
31521
31522
31523 )
31524 e_3_0_3 = zetb*( c1*e_2_0_2 &
31525
31526
31527 )
31528 e_0_2_2 = zeta*( &
31529 +c2*e_0_1_2&
31530 +2*e_1_1_2 &
31531 -2*e_0_0_2)
31532 e_0_1_3 = zetb*( &
31533 +c3*e_0_1_2&
31534 +2*e_1_1_2 &
31535 -4*e_0_1_1)
31536 e_1_2_2 = zeta*( c1*e_0_1_2 &
31537 +c2*e_1_1_2&
31538 +4*e_2_1_2 &
31539 -2*e_1_0_2)
31540 e_1_1_3 = zetb*( c1*e_0_1_2 &
31541 +c3*e_1_1_2&
31542 +4*e_2_1_2 &
31543 -4*e_1_1_1)
31544 e_2_2_2 = zeta*( c1*e_1_1_2 &
31545 +c2*e_2_1_2&
31546 +6*e_3_1_2 &
31547 -2*e_2_0_2)
31548 e_2_1_3 = zetb*( c1*e_1_1_2 &
31549 +c3*e_2_1_2&
31550 +6*e_3_1_2 &
31551 -4*e_2_1_1)
31552 e_3_2_2 = zeta*( c1*e_2_1_2 &
31553 +c2*e_3_1_2&
31554
31555 )
31556 e_3_1_3 = zetb*( c1*e_2_1_2 &
31557 +c3*e_3_1_2&
31558
31559 )
31560 e_4_2_2 = zeta*( c1*e_3_1_2 &
31561
31562
31563 )
31564 e_4_1_3 = zetb*( c1*e_3_1_2 &
31565
31566
31567 )
31568 e_0_3_2 = zeta*( &
31569 +c2*e_0_2_2&
31570 +2*e_1_2_2 &
31571 -4*e_0_1_2)
31572 e_0_2_3 = zetb*( &
31573 +c3*e_0_2_2&
31574 +2*e_1_2_2 &
31575 -4*e_0_2_1)
31576 e_1_3_2 = zeta*( c1*e_0_2_2 &
31577 +c2*e_1_2_2&
31578 +4*e_2_2_2 &
31579 -4*e_1_1_2)
31580 e_1_2_3 = zetb*( c1*e_0_2_2 &
31581 +c3*e_1_2_2&
31582 +4*e_2_2_2 &
31583 -4*e_1_2_1)
31584 e_2_3_2 = zeta*( c1*e_1_2_2 &
31585 +c2*e_2_2_2&
31586 +6*e_3_2_2 &
31587 -4*e_2_1_2)
31588 e_2_2_3 = zetb*( c1*e_1_2_2 &
31589 +c3*e_2_2_2&
31590 +6*e_3_2_2 &
31591 -4*e_2_2_1)
31592 e_3_3_2 = zeta*( c1*e_2_2_2 &
31593 +c2*e_3_2_2&
31594 +8*e_4_2_2 &
31595 -4*e_3_1_2)
31596 e_3_2_3 = zetb*( c1*e_2_2_2 &
31597 +c3*e_3_2_2&
31598 +8*e_4_2_2 &
31599 -4*e_3_2_1)
31600 e_4_3_2 = zeta*( c1*e_3_2_2 &
31601 +c2*e_4_2_2&
31602
31603 )
31604 e_4_2_3 = zetb*( c1*e_3_2_2 &
31605 +c3*e_4_2_2&
31606
31607 )
31608 e_5_3_2 = zeta*( c1*e_4_2_2 &
31609
31610
31611 )
31612 e_5_2_3 = zetb*( c1*e_4_2_2 &
31613
31614
31615 )
31616 e_0_3_3 = zetb*( &
31617 +c3*e_0_3_2&
31618 +2*e_1_3_2 &
31619 -4*e_0_3_1)
31620 e_1_3_3 = zetb*( c1*e_0_3_2 &
31621 +c3*e_1_3_2&
31622 +4*e_2_3_2 &
31623 -4*e_1_3_1)
31624 e_2_3_3 = zetb*( c1*e_1_3_2 &
31625 +c3*e_2_3_2&
31626 +6*e_3_3_2 &
31627 -4*e_2_3_1)
31628 e_3_3_3 = zetb*( c1*e_2_3_2 &
31629 +c3*e_3_3_2&
31630 +8*e_4_3_2 &
31631 -4*e_3_3_1)
31632 e_4_3_3 = zetb*( c1*e_3_3_2 &
31633 +c3*e_4_3_2&
31634 +10*e_5_3_2 &
31635 -4*e_4_3_1)
31636 e_5_3_3 = zetb*( c1*e_4_3_2 &
31637 +c3*e_5_3_2&
31638
31639 )
31640 e_6_3_3 = zetb*( c1*e_5_3_2 &
31641
31642
31643 )
31644 e_0_1_3 = zeta*( &
31645 +c2*e_0_0_3&
31646 +2*e_1_0_3 &
31647 )
31648 e_1_1_3 = zeta*( c1*e_0_0_3 &
31649 +c2*e_1_0_3&
31650 +4*e_2_0_3 &
31651 )
31652 e_2_1_3 = zeta*( c1*e_1_0_3 &
31653 +c2*e_2_0_3&
31654 +6*e_3_0_3 &
31655 )
31656 e_3_1_3 = zeta*( c1*e_2_0_3 &
31657 +c2*e_3_0_3&
31658
31659 )
31660 e_4_1_3 = zeta*( c1*e_3_0_3 &
31661
31662
31663 )
31664 e_0_2_3 = zeta*( &
31665 +c2*e_0_1_3&
31666 +2*e_1_1_3 &
31667 -2*e_0_0_3)
31668 e_1_2_3 = zeta*( c1*e_0_1_3 &
31669 +c2*e_1_1_3&
31670 +4*e_2_1_3 &
31671 -2*e_1_0_3)
31672 e_2_2_3 = zeta*( c1*e_1_1_3 &
31673 +c2*e_2_1_3&
31674 +6*e_3_1_3 &
31675 -2*e_2_0_3)
31676 e_3_2_3 = zeta*( c1*e_2_1_3 &
31677 +c2*e_3_1_3&
31678 +8*e_4_1_3 &
31679 -2*e_3_0_3)
31680 e_4_2_3 = zeta*( c1*e_3_1_3 &
31681 +c2*e_4_1_3&
31682
31683 )
31684 e_5_2_3 = zeta*( c1*e_4_1_3 &
31685
31686
31687 )
31688 e_0_3_3 = zeta*( &
31689 +c2*e_0_2_3&
31690 +2*e_1_2_3 &
31691 -4*e_0_1_3)
31692 e_1_3_3 = zeta*( c1*e_0_2_3 &
31693 +c2*e_1_2_3&
31694 +4*e_2_2_3 &
31695 -4*e_1_1_3)
31696 e_2_3_3 = zeta*( c1*e_1_2_3 &
31697 +c2*e_2_2_3&
31698 +6*e_3_2_3 &
31699 -4*e_2_1_3)
31700 e_3_3_3 = zeta*( c1*e_2_2_3 &
31701 +c2*e_3_2_3&
31702 +8*e_4_2_3 &
31703 -4*e_3_1_3)
31704 e_4_3_3 = zeta*( c1*e_3_2_3 &
31705 +c2*e_4_2_3&
31706 +10*e_5_2_3 &
31707 -4*e_4_1_3)
31708 e_5_3_3 = zeta*( c1*e_4_2_3 &
31709 +c2*e_5_2_3&
31710
31711 )
31712 e_6_3_3 = zeta*( c1*e_5_2_3 &
31713
31714
31715 )
31716
31717 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
31718 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
31719 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
31720 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
31721 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
31722 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
31723 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
31724 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
31725 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
31726 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
31727 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
31728 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
31729 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
31730 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
31731 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
31732 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
31733 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
31734 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
31735 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
31736 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
31737 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
31738 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
31739 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
31740 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
31741 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
31742 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
31743 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
31744 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
31745 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
31746 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
31747 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
31748 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
31749 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
31750 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
31751 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
31752 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
31753 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
31754 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
31755 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
31756 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
31757 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
31758 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
31759 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
31760 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
31761 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
31762 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
31763 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
31764 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
31765 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
31766 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
31767 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
31768 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
31769 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
31770 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
31771 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
31772 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
31773 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
31774 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
31775 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
31776 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
31777 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
31778 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
31779 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
31780 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
31781 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
31782 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
31783 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
31784 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
31785 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
31786 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
31787 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
31788 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
31789 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
31790 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
31791 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
31792 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
31793 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
31794 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
31795 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
31796 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
31797 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
31798 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
31799 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
31800 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
31801 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
31802 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
31803 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
31804 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
31805 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
31806 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
31807 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
31808 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
31809 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
31810 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
31811 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
31812 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
31813 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
31814 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
31815 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
31816 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
31817 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
31818 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
31819 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
31820 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
31821 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
31822 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
31823 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
31824 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
31825 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
31826 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
31827 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
31828 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
31829 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
31830 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
31831 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
31832 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
31833 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
31834 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
31835 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
31836 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
31837 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
31838 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
31839 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
31840 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
31841 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
31842 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
31843 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
31844 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
31845 r1 = r1 + dr
31846 END DO
31847
31848 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
31849 END SUBROUTINE
31850 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_2_exp_0 ( &
31851 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
31852 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
31853 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
31854 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
31855 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
31856 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
31857 r_pow_t, r_tmp, rr1_delta, rr2_delta
31858
31859 REAL(kind=dp) :: c1, c2, c3
31860 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
31861 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
31862 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
31863 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
31864 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
31865 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
31866 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
31867 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
31868 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
31869 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
31870 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
31871 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
31872
31873
31874 dr = lgth
31875 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
31876
31877 s_r(:, :, :) = 0.0_dp
31878
31879 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
31880
31881 h_to_c_0_0 = sqrt(alpha/pi)
31882
31883 h_to_c_0_1 = 0.0_dp
31884 h_to_c_1_1 = +2*alpha*h_to_c_0_0
31885 h_to_c_0_2 = -1*h_to_c_1_1
31886 h_to_c_1_2 = +2*alpha*h_to_c_0_1
31887 h_to_c_2_2 = +2*alpha*h_to_c_1_1
31888 h_to_c_0_3 = -1*h_to_c_1_2
31889 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
31890 h_to_c_2_3 = +2*alpha*h_to_c_1_2
31891 h_to_c_3_3 = +2*alpha*h_to_c_2_2
31892 h_to_c_0_4 = -1*h_to_c_1_3
31893 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
31894 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
31895 h_to_c_3_4 = +2*alpha*h_to_c_2_3
31896 h_to_c_4_4 = +2*alpha*h_to_c_3_3
31897 h_to_c_0_5 = -1*h_to_c_1_4
31898 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
31899 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
31900 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
31901 h_to_c_4_5 = +2*alpha*h_to_c_3_4
31902 h_to_c_5_5 = +2*alpha*h_to_c_4_4
31903 h_to_c_0_6 = -1*h_to_c_1_5
31904 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
31905 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
31906 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
31907 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
31908 h_to_c_5_6 = +2*alpha*h_to_c_4_5
31909 h_to_c_6_6 = +2*alpha*h_to_c_5_5
31910 h_to_c_0_7 = -1*h_to_c_1_6
31911 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
31912 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
31913 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
31914 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
31915 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
31916 h_to_c_6_7 = +2*alpha*h_to_c_5_6
31917 h_to_c_7_7 = +2*alpha*h_to_c_6_6
31918 h_to_c_0_8 = -1*h_to_c_1_7
31919 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
31920 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
31921 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
31922 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
31923 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
31924 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
31925 h_to_c_7_8 = +2*alpha*h_to_c_6_7
31926 h_to_c_8_8 = +2*alpha*h_to_c_7_7
31927
31928
31929 rr1_delta = (ra - rb)/dr
31930
31931 rr1_l = ceiling(-r_c(1) + rr1_delta)
31932 rr1_r = floor(r_c(1) + rr1_delta)
31933
31934 r1 = rr1_l*dr
31935
31936 alpha_e = zeta*zetb/(zeta + zetb)
31937
31938 DO rr1 = rr1_l, rr1_r
31939 s_r_t_0 = 0.0_dp
31940 s_r_t2_0 = 0.0_dp
31941 s_r_t_1 = 0.0_dp
31942 s_r_t2_1 = 0.0_dp
31943 s_r_t_2 = 0.0_dp
31944 s_r_t2_2 = 0.0_dp
31945 s_r_t_3 = 0.0_dp
31946 s_r_t2_3 = 0.0_dp
31947 s_r_t_4 = 0.0_dp
31948 s_r_t2_4 = 0.0_dp
31949 s_r_t_5 = 0.0_dp
31950 s_r_t2_5 = 0.0_dp
31951 s_r_t_6 = 0.0_dp
31952 s_r_t2_6 = 0.0_dp
31953 s_r_t_7 = 0.0_dp
31954 s_r_t2_7 = 0.0_dp
31955 s_r_t_8 = 0.0_dp
31956 s_r_t2_8 = 0.0_dp
31957 r_tmp = r_offset + r1*zeta/(zeta + zetb)
31958 rr2_delta = -r_tmp/dr
31959
31960 rr2_l = ceiling(-r_c(2) + rr2_delta)
31961 rr2_r = floor(r_c(2) + rr2_delta)
31962
31963 r = r_tmp + (rr2_l)*dr
31964
31965
31966 DO rr2 = rr2_l, rr2_r
31967 r_pow_t = 1.0_dp
31968 exp2_rsq = exp(-alpha*r*r)
31969 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
31970 r_pow_t = r_pow_t*r
31971 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
31972 r_pow_t = r_pow_t*r
31973 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
31974 r_pow_t = r_pow_t*r
31975 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
31976 r_pow_t = r_pow_t*r
31977 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
31978 r_pow_t = r_pow_t*r
31979 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
31980 r_pow_t = r_pow_t*r
31981 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
31982 r_pow_t = r_pow_t*r
31983 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
31984 r_pow_t = r_pow_t*r
31985 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
31986
31987 r = r + dr
31988 END DO
31989
31990 ! C --> H
31991 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
31992 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
31993 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
31994 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
31995 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
31996 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
31997 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
31998 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
31999 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
32000 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
32001 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
32002 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
32003 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
32004 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
32005 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
32006 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
32007 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
32008 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
32009 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
32010 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
32011 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
32012 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
32013 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
32014 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
32015 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
32016 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
32017 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
32018 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
32019 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
32020 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
32021 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
32022 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
32023 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
32024 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
32025 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
32026 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
32027 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
32028 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
32029 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
32030 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
32031 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
32032 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
32033 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
32034 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
32035 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
32036
32037 ! H --> HH
32038 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
32039
32040 c1 = 1.0_dp/(zeta + zetb)
32041 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
32042 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
32043
32044 e_0_1_0 = zeta*( &
32045 +c2*e_0_0_0&
32046
32047 )
32048 e_0_0_1 = zetb*( &
32049 +c3*e_0_0_0&
32050
32051 )
32052 e_1_1_0 = zeta*( c1*e_0_0_0 &
32053
32054
32055 )
32056 e_1_0_1 = zetb*( c1*e_0_0_0 &
32057
32058
32059 )
32060 e_0_2_0 = zeta*( &
32061 +c2*e_0_1_0&
32062 +2*e_1_1_0 &
32063 -2*e_0_0_0)
32064 e_0_1_1 = zetb*( &
32065 +c3*e_0_1_0&
32066 +2*e_1_1_0 &
32067 )
32068 e_1_2_0 = zeta*( c1*e_0_1_0 &
32069 +c2*e_1_1_0&
32070
32071 )
32072 e_1_1_1 = zetb*( c1*e_0_1_0 &
32073 +c3*e_1_1_0&
32074
32075 )
32076 e_2_2_0 = zeta*( c1*e_1_1_0 &
32077
32078
32079 )
32080 e_2_1_1 = zetb*( c1*e_1_1_0 &
32081
32082
32083 )
32084 e_0_3_0 = zeta*( &
32085 +c2*e_0_2_0&
32086 +2*e_1_2_0 &
32087 -4*e_0_1_0)
32088 e_0_2_1 = zetb*( &
32089 +c3*e_0_2_0&
32090 +2*e_1_2_0 &
32091 )
32092 e_1_3_0 = zeta*( c1*e_0_2_0 &
32093 +c2*e_1_2_0&
32094 +4*e_2_2_0 &
32095 -4*e_1_1_0)
32096 e_1_2_1 = zetb*( c1*e_0_2_0 &
32097 +c3*e_1_2_0&
32098 +4*e_2_2_0 &
32099 )
32100 e_2_3_0 = zeta*( c1*e_1_2_0 &
32101 +c2*e_2_2_0&
32102
32103 )
32104 e_2_2_1 = zetb*( c1*e_1_2_0 &
32105 +c3*e_2_2_0&
32106
32107 )
32108 e_3_3_0 = zeta*( c1*e_2_2_0 &
32109
32110
32111 )
32112 e_3_2_1 = zetb*( c1*e_2_2_0 &
32113
32114
32115 )
32116 e_0_3_1 = zetb*( &
32117 +c3*e_0_3_0&
32118 +2*e_1_3_0 &
32119 )
32120 e_1_3_1 = zetb*( c1*e_0_3_0 &
32121 +c3*e_1_3_0&
32122 +4*e_2_3_0 &
32123 )
32124 e_2_3_1 = zetb*( c1*e_1_3_0 &
32125 +c3*e_2_3_0&
32126 +6*e_3_3_0 &
32127 )
32128 e_3_3_1 = zetb*( c1*e_2_3_0 &
32129 +c3*e_3_3_0&
32130
32131 )
32132 e_4_3_1 = zetb*( c1*e_3_3_0 &
32133
32134
32135 )
32136 e_0_1_1 = zeta*( &
32137 +c2*e_0_0_1&
32138 +2*e_1_0_1 &
32139 )
32140 e_0_0_2 = zetb*( &
32141 +c3*e_0_0_1&
32142 +2*e_1_0_1 &
32143 -2*e_0_0_0)
32144 e_1_1_1 = zeta*( c1*e_0_0_1 &
32145 +c2*e_1_0_1&
32146
32147 )
32148 e_1_0_2 = zetb*( c1*e_0_0_1 &
32149 +c3*e_1_0_1&
32150
32151 )
32152 e_2_1_1 = zeta*( c1*e_1_0_1 &
32153
32154
32155 )
32156 e_2_0_2 = zetb*( c1*e_1_0_1 &
32157
32158
32159 )
32160 e_0_2_1 = zeta*( &
32161 +c2*e_0_1_1&
32162 +2*e_1_1_1 &
32163 -2*e_0_0_1)
32164 e_0_1_2 = zetb*( &
32165 +c3*e_0_1_1&
32166 +2*e_1_1_1 &
32167 -2*e_0_1_0)
32168 e_1_2_1 = zeta*( c1*e_0_1_1 &
32169 +c2*e_1_1_1&
32170 +4*e_2_1_1 &
32171 -2*e_1_0_1)
32172 e_1_1_2 = zetb*( c1*e_0_1_1 &
32173 +c3*e_1_1_1&
32174 +4*e_2_1_1 &
32175 -2*e_1_1_0)
32176 e_2_2_1 = zeta*( c1*e_1_1_1 &
32177 +c2*e_2_1_1&
32178
32179 )
32180 e_2_1_2 = zetb*( c1*e_1_1_1 &
32181 +c3*e_2_1_1&
32182
32183 )
32184 e_3_2_1 = zeta*( c1*e_2_1_1 &
32185
32186
32187 )
32188 e_3_1_2 = zetb*( c1*e_2_1_1 &
32189
32190
32191 )
32192 e_0_3_1 = zeta*( &
32193 +c2*e_0_2_1&
32194 +2*e_1_2_1 &
32195 -4*e_0_1_1)
32196 e_0_2_2 = zetb*( &
32197 +c3*e_0_2_1&
32198 +2*e_1_2_1 &
32199 -2*e_0_2_0)
32200 e_1_3_1 = zeta*( c1*e_0_2_1 &
32201 +c2*e_1_2_1&
32202 +4*e_2_2_1 &
32203 -4*e_1_1_1)
32204 e_1_2_2 = zetb*( c1*e_0_2_1 &
32205 +c3*e_1_2_1&
32206 +4*e_2_2_1 &
32207 -2*e_1_2_0)
32208 e_2_3_1 = zeta*( c1*e_1_2_1 &
32209 +c2*e_2_2_1&
32210 +6*e_3_2_1 &
32211 -4*e_2_1_1)
32212 e_2_2_2 = zetb*( c1*e_1_2_1 &
32213 +c3*e_2_2_1&
32214 +6*e_3_2_1 &
32215 -2*e_2_2_0)
32216 e_3_3_1 = zeta*( c1*e_2_2_1 &
32217 +c2*e_3_2_1&
32218
32219 )
32220 e_3_2_2 = zetb*( c1*e_2_2_1 &
32221 +c3*e_3_2_1&
32222
32223 )
32224 e_4_3_1 = zeta*( c1*e_3_2_1 &
32225
32226
32227 )
32228 e_4_2_2 = zetb*( c1*e_3_2_1 &
32229
32230
32231 )
32232 e_0_3_2 = zetb*( &
32233 +c3*e_0_3_1&
32234 +2*e_1_3_1 &
32235 -2*e_0_3_0)
32236 e_1_3_2 = zetb*( c1*e_0_3_1 &
32237 +c3*e_1_3_1&
32238 +4*e_2_3_1 &
32239 -2*e_1_3_0)
32240 e_2_3_2 = zetb*( c1*e_1_3_1 &
32241 +c3*e_2_3_1&
32242 +6*e_3_3_1 &
32243 -2*e_2_3_0)
32244 e_3_3_2 = zetb*( c1*e_2_3_1 &
32245 +c3*e_3_3_1&
32246 +8*e_4_3_1 &
32247 -2*e_3_3_0)
32248 e_4_3_2 = zetb*( c1*e_3_3_1 &
32249 +c3*e_4_3_1&
32250
32251 )
32252 e_5_3_2 = zetb*( c1*e_4_3_1 &
32253
32254
32255 )
32256 e_0_1_2 = zeta*( &
32257 +c2*e_0_0_2&
32258 +2*e_1_0_2 &
32259 )
32260 e_0_0_3 = zetb*( &
32261 +c3*e_0_0_2&
32262 +2*e_1_0_2 &
32263 -4*e_0_0_1)
32264 e_1_1_2 = zeta*( c1*e_0_0_2 &
32265 +c2*e_1_0_2&
32266 +4*e_2_0_2 &
32267 )
32268 e_1_0_3 = zetb*( c1*e_0_0_2 &
32269 +c3*e_1_0_2&
32270 +4*e_2_0_2 &
32271 -4*e_1_0_1)
32272 e_2_1_2 = zeta*( c1*e_1_0_2 &
32273 +c2*e_2_0_2&
32274
32275 )
32276 e_2_0_3 = zetb*( c1*e_1_0_2 &
32277 +c3*e_2_0_2&
32278
32279 )
32280 e_3_1_2 = zeta*( c1*e_2_0_2 &
32281
32282
32283 )
32284 e_3_0_3 = zetb*( c1*e_2_0_2 &
32285
32286
32287 )
32288 e_0_2_2 = zeta*( &
32289 +c2*e_0_1_2&
32290 +2*e_1_1_2 &
32291 -2*e_0_0_2)
32292 e_0_1_3 = zetb*( &
32293 +c3*e_0_1_2&
32294 +2*e_1_1_2 &
32295 -4*e_0_1_1)
32296 e_1_2_2 = zeta*( c1*e_0_1_2 &
32297 +c2*e_1_1_2&
32298 +4*e_2_1_2 &
32299 -2*e_1_0_2)
32300 e_1_1_3 = zetb*( c1*e_0_1_2 &
32301 +c3*e_1_1_2&
32302 +4*e_2_1_2 &
32303 -4*e_1_1_1)
32304 e_2_2_2 = zeta*( c1*e_1_1_2 &
32305 +c2*e_2_1_2&
32306 +6*e_3_1_2 &
32307 -2*e_2_0_2)
32308 e_2_1_3 = zetb*( c1*e_1_1_2 &
32309 +c3*e_2_1_2&
32310 +6*e_3_1_2 &
32311 -4*e_2_1_1)
32312 e_3_2_2 = zeta*( c1*e_2_1_2 &
32313 +c2*e_3_1_2&
32314
32315 )
32316 e_3_1_3 = zetb*( c1*e_2_1_2 &
32317 +c3*e_3_1_2&
32318
32319 )
32320 e_4_2_2 = zeta*( c1*e_3_1_2 &
32321
32322
32323 )
32324 e_4_1_3 = zetb*( c1*e_3_1_2 &
32325
32326
32327 )
32328 e_0_3_2 = zeta*( &
32329 +c2*e_0_2_2&
32330 +2*e_1_2_2 &
32331 -4*e_0_1_2)
32332 e_0_2_3 = zetb*( &
32333 +c3*e_0_2_2&
32334 +2*e_1_2_2 &
32335 -4*e_0_2_1)
32336 e_1_3_2 = zeta*( c1*e_0_2_2 &
32337 +c2*e_1_2_2&
32338 +4*e_2_2_2 &
32339 -4*e_1_1_2)
32340 e_1_2_3 = zetb*( c1*e_0_2_2 &
32341 +c3*e_1_2_2&
32342 +4*e_2_2_2 &
32343 -4*e_1_2_1)
32344 e_2_3_2 = zeta*( c1*e_1_2_2 &
32345 +c2*e_2_2_2&
32346 +6*e_3_2_2 &
32347 -4*e_2_1_2)
32348 e_2_2_3 = zetb*( c1*e_1_2_2 &
32349 +c3*e_2_2_2&
32350 +6*e_3_2_2 &
32351 -4*e_2_2_1)
32352 e_3_3_2 = zeta*( c1*e_2_2_2 &
32353 +c2*e_3_2_2&
32354 +8*e_4_2_2 &
32355 -4*e_3_1_2)
32356 e_3_2_3 = zetb*( c1*e_2_2_2 &
32357 +c3*e_3_2_2&
32358 +8*e_4_2_2 &
32359 -4*e_3_2_1)
32360 e_4_3_2 = zeta*( c1*e_3_2_2 &
32361 +c2*e_4_2_2&
32362
32363 )
32364 e_4_2_3 = zetb*( c1*e_3_2_2 &
32365 +c3*e_4_2_2&
32366
32367 )
32368 e_5_3_2 = zeta*( c1*e_4_2_2 &
32369
32370
32371 )
32372 e_5_2_3 = zetb*( c1*e_4_2_2 &
32373
32374
32375 )
32376 e_0_3_3 = zetb*( &
32377 +c3*e_0_3_2&
32378 +2*e_1_3_2 &
32379 -4*e_0_3_1)
32380 e_1_3_3 = zetb*( c1*e_0_3_2 &
32381 +c3*e_1_3_2&
32382 +4*e_2_3_2 &
32383 -4*e_1_3_1)
32384 e_2_3_3 = zetb*( c1*e_1_3_2 &
32385 +c3*e_2_3_2&
32386 +6*e_3_3_2 &
32387 -4*e_2_3_1)
32388 e_3_3_3 = zetb*( c1*e_2_3_2 &
32389 +c3*e_3_3_2&
32390 +8*e_4_3_2 &
32391 -4*e_3_3_1)
32392 e_4_3_3 = zetb*( c1*e_3_3_2 &
32393 +c3*e_4_3_2&
32394 +10*e_5_3_2 &
32395 -4*e_4_3_1)
32396 e_5_3_3 = zetb*( c1*e_4_3_2 &
32397 +c3*e_5_3_2&
32398
32399 )
32400 e_6_3_3 = zetb*( c1*e_5_3_2 &
32401
32402
32403 )
32404 e_0_1_3 = zeta*( &
32405 +c2*e_0_0_3&
32406 +2*e_1_0_3 &
32407 )
32408 e_1_1_3 = zeta*( c1*e_0_0_3 &
32409 +c2*e_1_0_3&
32410 +4*e_2_0_3 &
32411 )
32412 e_2_1_3 = zeta*( c1*e_1_0_3 &
32413 +c2*e_2_0_3&
32414 +6*e_3_0_3 &
32415 )
32416 e_3_1_3 = zeta*( c1*e_2_0_3 &
32417 +c2*e_3_0_3&
32418
32419 )
32420 e_4_1_3 = zeta*( c1*e_3_0_3 &
32421
32422
32423 )
32424 e_0_2_3 = zeta*( &
32425 +c2*e_0_1_3&
32426 +2*e_1_1_3 &
32427 -2*e_0_0_3)
32428 e_1_2_3 = zeta*( c1*e_0_1_3 &
32429 +c2*e_1_1_3&
32430 +4*e_2_1_3 &
32431 -2*e_1_0_3)
32432 e_2_2_3 = zeta*( c1*e_1_1_3 &
32433 +c2*e_2_1_3&
32434 +6*e_3_1_3 &
32435 -2*e_2_0_3)
32436 e_3_2_3 = zeta*( c1*e_2_1_3 &
32437 +c2*e_3_1_3&
32438 +8*e_4_1_3 &
32439 -2*e_3_0_3)
32440 e_4_2_3 = zeta*( c1*e_3_1_3 &
32441 +c2*e_4_1_3&
32442
32443 )
32444 e_5_2_3 = zeta*( c1*e_4_1_3 &
32445
32446
32447 )
32448 e_0_3_3 = zeta*( &
32449 +c2*e_0_2_3&
32450 +2*e_1_2_3 &
32451 -4*e_0_1_3)
32452 e_1_3_3 = zeta*( c1*e_0_2_3 &
32453 +c2*e_1_2_3&
32454 +4*e_2_2_3 &
32455 -4*e_1_1_3)
32456 e_2_3_3 = zeta*( c1*e_1_2_3 &
32457 +c2*e_2_2_3&
32458 +6*e_3_2_3 &
32459 -4*e_2_1_3)
32460 e_3_3_3 = zeta*( c1*e_2_2_3 &
32461 +c2*e_3_2_3&
32462 +8*e_4_2_3 &
32463 -4*e_3_1_3)
32464 e_4_3_3 = zeta*( c1*e_3_2_3 &
32465 +c2*e_4_2_3&
32466 +10*e_5_2_3 &
32467 -4*e_4_1_3)
32468 e_5_3_3 = zeta*( c1*e_4_2_3 &
32469 +c2*e_5_2_3&
32470
32471 )
32472 e_6_3_3 = zeta*( c1*e_5_2_3 &
32473
32474
32475 )
32476
32477 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
32478 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
32479 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
32480 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
32481 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
32482 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
32483 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
32484 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
32485 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
32486 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
32487 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
32488 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
32489 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
32490 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
32491 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
32492 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
32493 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
32494 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
32495 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
32496 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
32497 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
32498 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
32499 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
32500 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
32501 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
32502 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
32503 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
32504 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
32505 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
32506 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
32507 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
32508 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
32509 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
32510 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
32511 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
32512 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
32513 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
32514 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
32515 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
32516 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
32517 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
32518 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
32519 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
32520 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
32521 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
32522 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
32523 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
32524 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
32525 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
32526 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
32527 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
32528 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
32529 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
32530 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
32531 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
32532 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
32533 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
32534 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
32535 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
32536 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
32537 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
32538 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
32539 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
32540 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
32541 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
32542 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
32543 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
32544 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
32545 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
32546 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
32547 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
32548 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
32549 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
32550 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
32551 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
32552 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
32553 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
32554 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
32555 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
32556 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
32557 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
32558 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
32559 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
32560 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
32561 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
32562 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
32563 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
32564 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
32565 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
32566 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
32567 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
32568 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
32569 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
32570 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
32571 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
32572 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
32573 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
32574 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
32575 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
32576 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
32577 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
32578 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
32579 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
32580 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
32581 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
32582 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
32583 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
32584 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
32585 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
32586 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
32587 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
32588 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
32589 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
32590 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
32591 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
32592 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
32593 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
32594 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
32595 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
32596 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
32597 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
32598 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
32599 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
32600 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
32601 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
32602 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
32603 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
32604 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
32605 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
32606 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
32607 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
32608 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
32609 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
32610 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
32611 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
32612 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
32613 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
32614 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
32615 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
32616 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
32617 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
32618 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
32619 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
32620 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
32621 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
32622 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
32623 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
32624 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
32625 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
32626 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
32627 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
32628 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
32629 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
32630 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
32631 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
32632 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
32633 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
32634 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
32635 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
32636 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
32637 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
32638 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
32639 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
32640 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
32641 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
32642 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
32643 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
32644 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
32645 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
32646 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
32647 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
32648 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
32649 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
32650 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
32651 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
32652 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
32653 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
32654 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
32655 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
32656 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
32657 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
32658 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
32659 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
32660 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
32661 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
32662 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
32663 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
32664 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
32665 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
32666 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
32667 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
32668 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
32669 r1 = r1 + dr
32670 END DO
32671
32672 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
32673 END SUBROUTINE
32674 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_3_exp_0 ( &
32675 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
32676 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
32677 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
32678 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
32679 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
32680 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
32681 r_pow_t, r_tmp, rr1_delta, rr2_delta
32682
32683 REAL(kind=dp) :: c1, c2, c3
32684 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
32685 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
32686 & s_r_t2_9
32687 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
32688 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
32689 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
32690 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
32691 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
32692 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
32693 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
32694 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
32695 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
32696 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
32697 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
32698
32699
32700 dr = lgth
32701 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
32702
32703 s_r(:, :, :) = 0.0_dp
32704
32705 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
32706
32707 h_to_c_0_0 = sqrt(alpha/pi)
32708
32709 h_to_c_0_1 = 0.0_dp
32710 h_to_c_1_1 = +2*alpha*h_to_c_0_0
32711 h_to_c_0_2 = -1*h_to_c_1_1
32712 h_to_c_1_2 = +2*alpha*h_to_c_0_1
32713 h_to_c_2_2 = +2*alpha*h_to_c_1_1
32714 h_to_c_0_3 = -1*h_to_c_1_2
32715 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
32716 h_to_c_2_3 = +2*alpha*h_to_c_1_2
32717 h_to_c_3_3 = +2*alpha*h_to_c_2_2
32718 h_to_c_0_4 = -1*h_to_c_1_3
32719 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
32720 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
32721 h_to_c_3_4 = +2*alpha*h_to_c_2_3
32722 h_to_c_4_4 = +2*alpha*h_to_c_3_3
32723 h_to_c_0_5 = -1*h_to_c_1_4
32724 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
32725 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
32726 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
32727 h_to_c_4_5 = +2*alpha*h_to_c_3_4
32728 h_to_c_5_5 = +2*alpha*h_to_c_4_4
32729 h_to_c_0_6 = -1*h_to_c_1_5
32730 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
32731 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
32732 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
32733 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
32734 h_to_c_5_6 = +2*alpha*h_to_c_4_5
32735 h_to_c_6_6 = +2*alpha*h_to_c_5_5
32736 h_to_c_0_7 = -1*h_to_c_1_6
32737 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
32738 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
32739 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
32740 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
32741 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
32742 h_to_c_6_7 = +2*alpha*h_to_c_5_6
32743 h_to_c_7_7 = +2*alpha*h_to_c_6_6
32744 h_to_c_0_8 = -1*h_to_c_1_7
32745 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
32746 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
32747 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
32748 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
32749 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
32750 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
32751 h_to_c_7_8 = +2*alpha*h_to_c_6_7
32752 h_to_c_8_8 = +2*alpha*h_to_c_7_7
32753 h_to_c_0_9 = -1*h_to_c_1_8
32754 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
32755 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
32756 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
32757 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
32758 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
32759 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
32760 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
32761 h_to_c_8_9 = +2*alpha*h_to_c_7_8
32762 h_to_c_9_9 = +2*alpha*h_to_c_8_8
32763
32764
32765 rr1_delta = (ra - rb)/dr
32766
32767 rr1_l = ceiling(-r_c(1) + rr1_delta)
32768 rr1_r = floor(r_c(1) + rr1_delta)
32769
32770 r1 = rr1_l*dr
32771
32772 alpha_e = zeta*zetb/(zeta + zetb)
32773
32774 DO rr1 = rr1_l, rr1_r
32775 s_r_t_0 = 0.0_dp
32776 s_r_t2_0 = 0.0_dp
32777 s_r_t_1 = 0.0_dp
32778 s_r_t2_1 = 0.0_dp
32779 s_r_t_2 = 0.0_dp
32780 s_r_t2_2 = 0.0_dp
32781 s_r_t_3 = 0.0_dp
32782 s_r_t2_3 = 0.0_dp
32783 s_r_t_4 = 0.0_dp
32784 s_r_t2_4 = 0.0_dp
32785 s_r_t_5 = 0.0_dp
32786 s_r_t2_5 = 0.0_dp
32787 s_r_t_6 = 0.0_dp
32788 s_r_t2_6 = 0.0_dp
32789 s_r_t_7 = 0.0_dp
32790 s_r_t2_7 = 0.0_dp
32791 s_r_t_8 = 0.0_dp
32792 s_r_t2_8 = 0.0_dp
32793 s_r_t_9 = 0.0_dp
32794 s_r_t2_9 = 0.0_dp
32795 r_tmp = r_offset + r1*zeta/(zeta + zetb)
32796 rr2_delta = -r_tmp/dr
32797
32798 rr2_l = ceiling(-r_c(2) + rr2_delta)
32799 rr2_r = floor(r_c(2) + rr2_delta)
32800
32801 r = r_tmp + (rr2_l)*dr
32802
32803
32804 DO rr2 = rr2_l, rr2_r
32805 r_pow_t = 1.0_dp
32806 exp2_rsq = exp(-alpha*r*r)
32807 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
32808 r_pow_t = r_pow_t*r
32809 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
32810 r_pow_t = r_pow_t*r
32811 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
32812 r_pow_t = r_pow_t*r
32813 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
32814 r_pow_t = r_pow_t*r
32815 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
32816 r_pow_t = r_pow_t*r
32817 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
32818 r_pow_t = r_pow_t*r
32819 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
32820 r_pow_t = r_pow_t*r
32821 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
32822 r_pow_t = r_pow_t*r
32823 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
32824 r_pow_t = r_pow_t*r
32825 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
32826
32827 r = r + dr
32828 END DO
32829
32830 ! C --> H
32831 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
32832 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
32833 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
32834 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
32835 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
32836 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
32837 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
32838 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
32839 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
32840 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
32841 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
32842 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
32843 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
32844 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
32845 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
32846 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
32847 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
32848 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
32849 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
32850 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
32851 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
32852 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
32853 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
32854 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
32855 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
32856 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
32857 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
32858 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
32859 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
32860 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
32861 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
32862 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
32863 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
32864 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
32865 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
32866 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
32867 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
32868 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
32869 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
32870 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
32871 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
32872 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
32873 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
32874 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
32875 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
32876 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
32877 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
32878 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
32879 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
32880 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
32881 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
32882 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
32883 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
32884 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
32885 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
32886
32887 ! H --> HH
32888 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
32889
32890 c1 = 1.0_dp/(zeta + zetb)
32891 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
32892 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
32893
32894 e_0_1_0 = zeta*( &
32895 +c2*e_0_0_0&
32896
32897 )
32898 e_0_0_1 = zetb*( &
32899 +c3*e_0_0_0&
32900
32901 )
32902 e_1_1_0 = zeta*( c1*e_0_0_0 &
32903
32904
32905 )
32906 e_1_0_1 = zetb*( c1*e_0_0_0 &
32907
32908
32909 )
32910 e_0_2_0 = zeta*( &
32911 +c2*e_0_1_0&
32912 +2*e_1_1_0 &
32913 -2*e_0_0_0)
32914 e_0_1_1 = zetb*( &
32915 +c3*e_0_1_0&
32916 +2*e_1_1_0 &
32917 )
32918 e_1_2_0 = zeta*( c1*e_0_1_0 &
32919 +c2*e_1_1_0&
32920
32921 )
32922 e_1_1_1 = zetb*( c1*e_0_1_0 &
32923 +c3*e_1_1_0&
32924
32925 )
32926 e_2_2_0 = zeta*( c1*e_1_1_0 &
32927
32928
32929 )
32930 e_2_1_1 = zetb*( c1*e_1_1_0 &
32931
32932
32933 )
32934 e_0_3_0 = zeta*( &
32935 +c2*e_0_2_0&
32936 +2*e_1_2_0 &
32937 -4*e_0_1_0)
32938 e_0_2_1 = zetb*( &
32939 +c3*e_0_2_0&
32940 +2*e_1_2_0 &
32941 )
32942 e_1_3_0 = zeta*( c1*e_0_2_0 &
32943 +c2*e_1_2_0&
32944 +4*e_2_2_0 &
32945 -4*e_1_1_0)
32946 e_1_2_1 = zetb*( c1*e_0_2_0 &
32947 +c3*e_1_2_0&
32948 +4*e_2_2_0 &
32949 )
32950 e_2_3_0 = zeta*( c1*e_1_2_0 &
32951 +c2*e_2_2_0&
32952
32953 )
32954 e_2_2_1 = zetb*( c1*e_1_2_0 &
32955 +c3*e_2_2_0&
32956
32957 )
32958 e_3_3_0 = zeta*( c1*e_2_2_0 &
32959
32960
32961 )
32962 e_3_2_1 = zetb*( c1*e_2_2_0 &
32963
32964
32965 )
32966 e_0_3_1 = zetb*( &
32967 +c3*e_0_3_0&
32968 +2*e_1_3_0 &
32969 )
32970 e_1_3_1 = zetb*( c1*e_0_3_0 &
32971 +c3*e_1_3_0&
32972 +4*e_2_3_0 &
32973 )
32974 e_2_3_1 = zetb*( c1*e_1_3_0 &
32975 +c3*e_2_3_0&
32976 +6*e_3_3_0 &
32977 )
32978 e_3_3_1 = zetb*( c1*e_2_3_0 &
32979 +c3*e_3_3_0&
32980
32981 )
32982 e_4_3_1 = zetb*( c1*e_3_3_0 &
32983
32984
32985 )
32986 e_0_1_1 = zeta*( &
32987 +c2*e_0_0_1&
32988 +2*e_1_0_1 &
32989 )
32990 e_0_0_2 = zetb*( &
32991 +c3*e_0_0_1&
32992 +2*e_1_0_1 &
32993 -2*e_0_0_0)
32994 e_1_1_1 = zeta*( c1*e_0_0_1 &
32995 +c2*e_1_0_1&
32996
32997 )
32998 e_1_0_2 = zetb*( c1*e_0_0_1 &
32999 +c3*e_1_0_1&
33000
33001 )
33002 e_2_1_1 = zeta*( c1*e_1_0_1 &
33003
33004
33005 )
33006 e_2_0_2 = zetb*( c1*e_1_0_1 &
33007
33008
33009 )
33010 e_0_2_1 = zeta*( &
33011 +c2*e_0_1_1&
33012 +2*e_1_1_1 &
33013 -2*e_0_0_1)
33014 e_0_1_2 = zetb*( &
33015 +c3*e_0_1_1&
33016 +2*e_1_1_1 &
33017 -2*e_0_1_0)
33018 e_1_2_1 = zeta*( c1*e_0_1_1 &
33019 +c2*e_1_1_1&
33020 +4*e_2_1_1 &
33021 -2*e_1_0_1)
33022 e_1_1_2 = zetb*( c1*e_0_1_1 &
33023 +c3*e_1_1_1&
33024 +4*e_2_1_1 &
33025 -2*e_1_1_0)
33026 e_2_2_1 = zeta*( c1*e_1_1_1 &
33027 +c2*e_2_1_1&
33028
33029 )
33030 e_2_1_2 = zetb*( c1*e_1_1_1 &
33031 +c3*e_2_1_1&
33032
33033 )
33034 e_3_2_1 = zeta*( c1*e_2_1_1 &
33035
33036
33037 )
33038 e_3_1_2 = zetb*( c1*e_2_1_1 &
33039
33040
33041 )
33042 e_0_3_1 = zeta*( &
33043 +c2*e_0_2_1&
33044 +2*e_1_2_1 &
33045 -4*e_0_1_1)
33046 e_0_2_2 = zetb*( &
33047 +c3*e_0_2_1&
33048 +2*e_1_2_1 &
33049 -2*e_0_2_0)
33050 e_1_3_1 = zeta*( c1*e_0_2_1 &
33051 +c2*e_1_2_1&
33052 +4*e_2_2_1 &
33053 -4*e_1_1_1)
33054 e_1_2_2 = zetb*( c1*e_0_2_1 &
33055 +c3*e_1_2_1&
33056 +4*e_2_2_1 &
33057 -2*e_1_2_0)
33058 e_2_3_1 = zeta*( c1*e_1_2_1 &
33059 +c2*e_2_2_1&
33060 +6*e_3_2_1 &
33061 -4*e_2_1_1)
33062 e_2_2_2 = zetb*( c1*e_1_2_1 &
33063 +c3*e_2_2_1&
33064 +6*e_3_2_1 &
33065 -2*e_2_2_0)
33066 e_3_3_1 = zeta*( c1*e_2_2_1 &
33067 +c2*e_3_2_1&
33068
33069 )
33070 e_3_2_2 = zetb*( c1*e_2_2_1 &
33071 +c3*e_3_2_1&
33072
33073 )
33074 e_4_3_1 = zeta*( c1*e_3_2_1 &
33075
33076
33077 )
33078 e_4_2_2 = zetb*( c1*e_3_2_1 &
33079
33080
33081 )
33082 e_0_3_2 = zetb*( &
33083 +c3*e_0_3_1&
33084 +2*e_1_3_1 &
33085 -2*e_0_3_0)
33086 e_1_3_2 = zetb*( c1*e_0_3_1 &
33087 +c3*e_1_3_1&
33088 +4*e_2_3_1 &
33089 -2*e_1_3_0)
33090 e_2_3_2 = zetb*( c1*e_1_3_1 &
33091 +c3*e_2_3_1&
33092 +6*e_3_3_1 &
33093 -2*e_2_3_0)
33094 e_3_3_2 = zetb*( c1*e_2_3_1 &
33095 +c3*e_3_3_1&
33096 +8*e_4_3_1 &
33097 -2*e_3_3_0)
33098 e_4_3_2 = zetb*( c1*e_3_3_1 &
33099 +c3*e_4_3_1&
33100
33101 )
33102 e_5_3_2 = zetb*( c1*e_4_3_1 &
33103
33104
33105 )
33106 e_0_1_2 = zeta*( &
33107 +c2*e_0_0_2&
33108 +2*e_1_0_2 &
33109 )
33110 e_0_0_3 = zetb*( &
33111 +c3*e_0_0_2&
33112 +2*e_1_0_2 &
33113 -4*e_0_0_1)
33114 e_1_1_2 = zeta*( c1*e_0_0_2 &
33115 +c2*e_1_0_2&
33116 +4*e_2_0_2 &
33117 )
33118 e_1_0_3 = zetb*( c1*e_0_0_2 &
33119 +c3*e_1_0_2&
33120 +4*e_2_0_2 &
33121 -4*e_1_0_1)
33122 e_2_1_2 = zeta*( c1*e_1_0_2 &
33123 +c2*e_2_0_2&
33124
33125 )
33126 e_2_0_3 = zetb*( c1*e_1_0_2 &
33127 +c3*e_2_0_2&
33128
33129 )
33130 e_3_1_2 = zeta*( c1*e_2_0_2 &
33131
33132
33133 )
33134 e_3_0_3 = zetb*( c1*e_2_0_2 &
33135
33136
33137 )
33138 e_0_2_2 = zeta*( &
33139 +c2*e_0_1_2&
33140 +2*e_1_1_2 &
33141 -2*e_0_0_2)
33142 e_0_1_3 = zetb*( &
33143 +c3*e_0_1_2&
33144 +2*e_1_1_2 &
33145 -4*e_0_1_1)
33146 e_1_2_2 = zeta*( c1*e_0_1_2 &
33147 +c2*e_1_1_2&
33148 +4*e_2_1_2 &
33149 -2*e_1_0_2)
33150 e_1_1_3 = zetb*( c1*e_0_1_2 &
33151 +c3*e_1_1_2&
33152 +4*e_2_1_2 &
33153 -4*e_1_1_1)
33154 e_2_2_2 = zeta*( c1*e_1_1_2 &
33155 +c2*e_2_1_2&
33156 +6*e_3_1_2 &
33157 -2*e_2_0_2)
33158 e_2_1_3 = zetb*( c1*e_1_1_2 &
33159 +c3*e_2_1_2&
33160 +6*e_3_1_2 &
33161 -4*e_2_1_1)
33162 e_3_2_2 = zeta*( c1*e_2_1_2 &
33163 +c2*e_3_1_2&
33164
33165 )
33166 e_3_1_3 = zetb*( c1*e_2_1_2 &
33167 +c3*e_3_1_2&
33168
33169 )
33170 e_4_2_2 = zeta*( c1*e_3_1_2 &
33171
33172
33173 )
33174 e_4_1_3 = zetb*( c1*e_3_1_2 &
33175
33176
33177 )
33178 e_0_3_2 = zeta*( &
33179 +c2*e_0_2_2&
33180 +2*e_1_2_2 &
33181 -4*e_0_1_2)
33182 e_0_2_3 = zetb*( &
33183 +c3*e_0_2_2&
33184 +2*e_1_2_2 &
33185 -4*e_0_2_1)
33186 e_1_3_2 = zeta*( c1*e_0_2_2 &
33187 +c2*e_1_2_2&
33188 +4*e_2_2_2 &
33189 -4*e_1_1_2)
33190 e_1_2_3 = zetb*( c1*e_0_2_2 &
33191 +c3*e_1_2_2&
33192 +4*e_2_2_2 &
33193 -4*e_1_2_1)
33194 e_2_3_2 = zeta*( c1*e_1_2_2 &
33195 +c2*e_2_2_2&
33196 +6*e_3_2_2 &
33197 -4*e_2_1_2)
33198 e_2_2_3 = zetb*( c1*e_1_2_2 &
33199 +c3*e_2_2_2&
33200 +6*e_3_2_2 &
33201 -4*e_2_2_1)
33202 e_3_3_2 = zeta*( c1*e_2_2_2 &
33203 +c2*e_3_2_2&
33204 +8*e_4_2_2 &
33205 -4*e_3_1_2)
33206 e_3_2_3 = zetb*( c1*e_2_2_2 &
33207 +c3*e_3_2_2&
33208 +8*e_4_2_2 &
33209 -4*e_3_2_1)
33210 e_4_3_2 = zeta*( c1*e_3_2_2 &
33211 +c2*e_4_2_2&
33212
33213 )
33214 e_4_2_3 = zetb*( c1*e_3_2_2 &
33215 +c3*e_4_2_2&
33216
33217 )
33218 e_5_3_2 = zeta*( c1*e_4_2_2 &
33219
33220
33221 )
33222 e_5_2_3 = zetb*( c1*e_4_2_2 &
33223
33224
33225 )
33226 e_0_3_3 = zetb*( &
33227 +c3*e_0_3_2&
33228 +2*e_1_3_2 &
33229 -4*e_0_3_1)
33230 e_1_3_3 = zetb*( c1*e_0_3_2 &
33231 +c3*e_1_3_2&
33232 +4*e_2_3_2 &
33233 -4*e_1_3_1)
33234 e_2_3_3 = zetb*( c1*e_1_3_2 &
33235 +c3*e_2_3_2&
33236 +6*e_3_3_2 &
33237 -4*e_2_3_1)
33238 e_3_3_3 = zetb*( c1*e_2_3_2 &
33239 +c3*e_3_3_2&
33240 +8*e_4_3_2 &
33241 -4*e_3_3_1)
33242 e_4_3_3 = zetb*( c1*e_3_3_2 &
33243 +c3*e_4_3_2&
33244 +10*e_5_3_2 &
33245 -4*e_4_3_1)
33246 e_5_3_3 = zetb*( c1*e_4_3_2 &
33247 +c3*e_5_3_2&
33248
33249 )
33250 e_6_3_3 = zetb*( c1*e_5_3_2 &
33251
33252
33253 )
33254 e_0_1_3 = zeta*( &
33255 +c2*e_0_0_3&
33256 +2*e_1_0_3 &
33257 )
33258 e_1_1_3 = zeta*( c1*e_0_0_3 &
33259 +c2*e_1_0_3&
33260 +4*e_2_0_3 &
33261 )
33262 e_2_1_3 = zeta*( c1*e_1_0_3 &
33263 +c2*e_2_0_3&
33264 +6*e_3_0_3 &
33265 )
33266 e_3_1_3 = zeta*( c1*e_2_0_3 &
33267 +c2*e_3_0_3&
33268
33269 )
33270 e_4_1_3 = zeta*( c1*e_3_0_3 &
33271
33272
33273 )
33274 e_0_2_3 = zeta*( &
33275 +c2*e_0_1_3&
33276 +2*e_1_1_3 &
33277 -2*e_0_0_3)
33278 e_1_2_3 = zeta*( c1*e_0_1_3 &
33279 +c2*e_1_1_3&
33280 +4*e_2_1_3 &
33281 -2*e_1_0_3)
33282 e_2_2_3 = zeta*( c1*e_1_1_3 &
33283 +c2*e_2_1_3&
33284 +6*e_3_1_3 &
33285 -2*e_2_0_3)
33286 e_3_2_3 = zeta*( c1*e_2_1_3 &
33287 +c2*e_3_1_3&
33288 +8*e_4_1_3 &
33289 -2*e_3_0_3)
33290 e_4_2_3 = zeta*( c1*e_3_1_3 &
33291 +c2*e_4_1_3&
33292
33293 )
33294 e_5_2_3 = zeta*( c1*e_4_1_3 &
33295
33296
33297 )
33298 e_0_3_3 = zeta*( &
33299 +c2*e_0_2_3&
33300 +2*e_1_2_3 &
33301 -4*e_0_1_3)
33302 e_1_3_3 = zeta*( c1*e_0_2_3 &
33303 +c2*e_1_2_3&
33304 +4*e_2_2_3 &
33305 -4*e_1_1_3)
33306 e_2_3_3 = zeta*( c1*e_1_2_3 &
33307 +c2*e_2_2_3&
33308 +6*e_3_2_3 &
33309 -4*e_2_1_3)
33310 e_3_3_3 = zeta*( c1*e_2_2_3 &
33311 +c2*e_3_2_3&
33312 +8*e_4_2_3 &
33313 -4*e_3_1_3)
33314 e_4_3_3 = zeta*( c1*e_3_2_3 &
33315 +c2*e_4_2_3&
33316 +10*e_5_2_3 &
33317 -4*e_4_1_3)
33318 e_5_3_3 = zeta*( c1*e_4_2_3 &
33319 +c2*e_5_2_3&
33320
33321 )
33322 e_6_3_3 = zeta*( c1*e_5_2_3 &
33323
33324
33325 )
33326
33327 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
33328 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
33329 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
33330 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
33331 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
33332 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
33333 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
33334 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
33335 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
33336 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
33337 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
33338 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
33339 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
33340 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
33341 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
33342 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
33343 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
33344 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
33345 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
33346 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
33347 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
33348 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
33349 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
33350 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
33351 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
33352 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
33353 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
33354 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
33355 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
33356 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
33357 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
33358 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
33359 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
33360 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
33361 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
33362 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
33363 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
33364 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
33365 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
33366 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
33367 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
33368 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
33369 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
33370 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
33371 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
33372 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
33373 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
33374 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
33375 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
33376 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
33377 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
33378 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
33379 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
33380 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
33381 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
33382 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
33383 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
33384 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
33385 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
33386 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
33387 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
33388 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
33389 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
33390 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
33391 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
33392 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
33393 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
33394 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
33395 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
33396 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
33397 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
33398 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
33399 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
33400 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
33401 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
33402 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
33403 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
33404 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
33405 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
33406 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
33407 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
33408 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
33409 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
33410 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
33411 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
33412 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
33413 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
33414 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
33415 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
33416 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
33417 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
33418 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
33419 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
33420 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
33421 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
33422 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
33423 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
33424 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
33425 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
33426 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
33427 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
33428 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
33429 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
33430 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
33431 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
33432 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
33433 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
33434 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
33435 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
33436 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
33437 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
33438 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
33439 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
33440 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
33441 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
33442 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
33443 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
33444 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
33445 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
33446 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
33447 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
33448 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
33449 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
33450 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
33451 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
33452 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
33453 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
33454 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
33455 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
33456 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
33457 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
33458 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
33459 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
33460 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
33461 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
33462 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
33463 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
33464 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
33465 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
33466 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
33467 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
33468 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
33469 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
33470 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
33471 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
33472 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
33473 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
33474 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
33475 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
33476 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
33477 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
33478 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
33479 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
33480 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
33481 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
33482 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
33483 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
33484 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
33485 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
33486 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
33487 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
33488 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
33489 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
33490 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
33491 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
33492 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
33493 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
33494 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
33495 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
33496 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
33497 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
33498 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
33499 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
33500 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
33501 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
33502 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
33503 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
33504 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
33505 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
33506 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
33507 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
33508 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
33509 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
33510 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
33511 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
33512 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
33513 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
33514 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
33515 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
33516 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
33517 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
33518 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
33519 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
33520 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
33521 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
33522 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
33523 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
33524 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
33525 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
33526 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
33527 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
33528 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
33529 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
33530 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
33531 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
33532 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
33533 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
33534 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
33535 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
33536 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
33537 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
33538 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
33539 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
33540 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
33541 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
33542 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
33543 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
33544 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
33545 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
33546 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
33547 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
33548 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
33549 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
33550 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
33551 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
33552 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
33553 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
33554 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
33555 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
33556 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
33557 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
33558 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
33559 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
33560 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
33561 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
33562 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
33563 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
33564 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
33565 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
33566 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
33567 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
33568 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
33569 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
33570 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
33571 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
33572 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
33573 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
33574 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
33575 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
33576 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
33577 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
33578 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
33579 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
33580 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
33581 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
33582 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
33583 r1 = r1 + dr
33584 END DO
33585
33586 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
33587 END SUBROUTINE
33588 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_4_exp_0 ( &
33589 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
33590 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
33591 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
33592 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
33593 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
33594 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
33595 r_pow_t, r_tmp, rr1_delta, rr2_delta
33596
33597 REAL(kind=dp) :: c1, c2, c3
33598 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
33599 & s_r_t_10
33600 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
33601 & s_r_t2_9, s_r_t2_10
33602 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
33603 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
33604 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
33605 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
33606 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
33607 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
33608 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
33609 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
33610 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
33611 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
33612 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
33613 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
33614
33615
33616 dr = lgth
33617 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
33618
33619 s_r(:, :, :) = 0.0_dp
33620
33621 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
33622
33623 h_to_c_0_0 = sqrt(alpha/pi)
33624
33625 h_to_c_0_1 = 0.0_dp
33626 h_to_c_1_1 = +2*alpha*h_to_c_0_0
33627 h_to_c_0_2 = -1*h_to_c_1_1
33628 h_to_c_1_2 = +2*alpha*h_to_c_0_1
33629 h_to_c_2_2 = +2*alpha*h_to_c_1_1
33630 h_to_c_0_3 = -1*h_to_c_1_2
33631 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
33632 h_to_c_2_3 = +2*alpha*h_to_c_1_2
33633 h_to_c_3_3 = +2*alpha*h_to_c_2_2
33634 h_to_c_0_4 = -1*h_to_c_1_3
33635 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
33636 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
33637 h_to_c_3_4 = +2*alpha*h_to_c_2_3
33638 h_to_c_4_4 = +2*alpha*h_to_c_3_3
33639 h_to_c_0_5 = -1*h_to_c_1_4
33640 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
33641 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
33642 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
33643 h_to_c_4_5 = +2*alpha*h_to_c_3_4
33644 h_to_c_5_5 = +2*alpha*h_to_c_4_4
33645 h_to_c_0_6 = -1*h_to_c_1_5
33646 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
33647 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
33648 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
33649 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
33650 h_to_c_5_6 = +2*alpha*h_to_c_4_5
33651 h_to_c_6_6 = +2*alpha*h_to_c_5_5
33652 h_to_c_0_7 = -1*h_to_c_1_6
33653 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
33654 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
33655 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
33656 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
33657 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
33658 h_to_c_6_7 = +2*alpha*h_to_c_5_6
33659 h_to_c_7_7 = +2*alpha*h_to_c_6_6
33660 h_to_c_0_8 = -1*h_to_c_1_7
33661 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
33662 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
33663 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
33664 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
33665 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
33666 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
33667 h_to_c_7_8 = +2*alpha*h_to_c_6_7
33668 h_to_c_8_8 = +2*alpha*h_to_c_7_7
33669 h_to_c_0_9 = -1*h_to_c_1_8
33670 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
33671 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
33672 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
33673 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
33674 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
33675 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
33676 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
33677 h_to_c_8_9 = +2*alpha*h_to_c_7_8
33678 h_to_c_9_9 = +2*alpha*h_to_c_8_8
33679 h_to_c_0_10 = -1*h_to_c_1_9
33680 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
33681 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
33682 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
33683 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
33684 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
33685 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
33686 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
33687 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
33688 h_to_c_9_10 = +2*alpha*h_to_c_8_9
33689 h_to_c_10_10 = +2*alpha*h_to_c_9_9
33690
33691
33692 rr1_delta = (ra - rb)/dr
33693
33694 rr1_l = ceiling(-r_c(1) + rr1_delta)
33695 rr1_r = floor(r_c(1) + rr1_delta)
33696
33697 r1 = rr1_l*dr
33698
33699 alpha_e = zeta*zetb/(zeta + zetb)
33700
33701 DO rr1 = rr1_l, rr1_r
33702 s_r_t_0 = 0.0_dp
33703 s_r_t2_0 = 0.0_dp
33704 s_r_t_1 = 0.0_dp
33705 s_r_t2_1 = 0.0_dp
33706 s_r_t_2 = 0.0_dp
33707 s_r_t2_2 = 0.0_dp
33708 s_r_t_3 = 0.0_dp
33709 s_r_t2_3 = 0.0_dp
33710 s_r_t_4 = 0.0_dp
33711 s_r_t2_4 = 0.0_dp
33712 s_r_t_5 = 0.0_dp
33713 s_r_t2_5 = 0.0_dp
33714 s_r_t_6 = 0.0_dp
33715 s_r_t2_6 = 0.0_dp
33716 s_r_t_7 = 0.0_dp
33717 s_r_t2_7 = 0.0_dp
33718 s_r_t_8 = 0.0_dp
33719 s_r_t2_8 = 0.0_dp
33720 s_r_t_9 = 0.0_dp
33721 s_r_t2_9 = 0.0_dp
33722 s_r_t_10 = 0.0_dp
33723 s_r_t2_10 = 0.0_dp
33724 r_tmp = r_offset + r1*zeta/(zeta + zetb)
33725 rr2_delta = -r_tmp/dr
33726
33727 rr2_l = ceiling(-r_c(2) + rr2_delta)
33728 rr2_r = floor(r_c(2) + rr2_delta)
33729
33730 r = r_tmp + (rr2_l)*dr
33731
33732
33733 DO rr2 = rr2_l, rr2_r
33734 r_pow_t = 1.0_dp
33735 exp2_rsq = exp(-alpha*r*r)
33736 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
33737 r_pow_t = r_pow_t*r
33738 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
33739 r_pow_t = r_pow_t*r
33740 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
33741 r_pow_t = r_pow_t*r
33742 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
33743 r_pow_t = r_pow_t*r
33744 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
33745 r_pow_t = r_pow_t*r
33746 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
33747 r_pow_t = r_pow_t*r
33748 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
33749 r_pow_t = r_pow_t*r
33750 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
33751 r_pow_t = r_pow_t*r
33752 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
33753 r_pow_t = r_pow_t*r
33754 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
33755 r_pow_t = r_pow_t*r
33756 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
33757
33758 r = r + dr
33759 END DO
33760
33761 ! C --> H
33762 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
33763 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
33764 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
33765 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
33766 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
33767 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
33768 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
33769 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
33770 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
33771 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
33772 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
33773 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
33774 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
33775 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
33776 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
33777 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
33778 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
33779 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
33780 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
33781 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
33782 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
33783 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
33784 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
33785 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
33786 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
33787 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
33788 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
33789 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
33790 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
33791 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
33792 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
33793 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
33794 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
33795 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
33796 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
33797 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
33798 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
33799 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
33800 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
33801 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
33802 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
33803 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
33804 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
33805 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
33806 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
33807 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
33808 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
33809 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
33810 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
33811 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
33812 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
33813 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
33814 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
33815 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
33816 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
33817 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
33818 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
33819 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
33820 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
33821 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
33822 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
33823 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
33824 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
33825 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
33826 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
33827 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
33828
33829 ! H --> HH
33830 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
33831
33832 c1 = 1.0_dp/(zeta + zetb)
33833 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
33834 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
33835
33836 e_0_1_0 = zeta*( &
33837 +c2*e_0_0_0&
33838
33839 )
33840 e_0_0_1 = zetb*( &
33841 +c3*e_0_0_0&
33842
33843 )
33844 e_1_1_0 = zeta*( c1*e_0_0_0 &
33845
33846
33847 )
33848 e_1_0_1 = zetb*( c1*e_0_0_0 &
33849
33850
33851 )
33852 e_0_2_0 = zeta*( &
33853 +c2*e_0_1_0&
33854 +2*e_1_1_0 &
33855 -2*e_0_0_0)
33856 e_0_1_1 = zetb*( &
33857 +c3*e_0_1_0&
33858 +2*e_1_1_0 &
33859 )
33860 e_1_2_0 = zeta*( c1*e_0_1_0 &
33861 +c2*e_1_1_0&
33862
33863 )
33864 e_1_1_1 = zetb*( c1*e_0_1_0 &
33865 +c3*e_1_1_0&
33866
33867 )
33868 e_2_2_0 = zeta*( c1*e_1_1_0 &
33869
33870
33871 )
33872 e_2_1_1 = zetb*( c1*e_1_1_0 &
33873
33874
33875 )
33876 e_0_3_0 = zeta*( &
33877 +c2*e_0_2_0&
33878 +2*e_1_2_0 &
33879 -4*e_0_1_0)
33880 e_0_2_1 = zetb*( &
33881 +c3*e_0_2_0&
33882 +2*e_1_2_0 &
33883 )
33884 e_1_3_0 = zeta*( c1*e_0_2_0 &
33885 +c2*e_1_2_0&
33886 +4*e_2_2_0 &
33887 -4*e_1_1_0)
33888 e_1_2_1 = zetb*( c1*e_0_2_0 &
33889 +c3*e_1_2_0&
33890 +4*e_2_2_0 &
33891 )
33892 e_2_3_0 = zeta*( c1*e_1_2_0 &
33893 +c2*e_2_2_0&
33894
33895 )
33896 e_2_2_1 = zetb*( c1*e_1_2_0 &
33897 +c3*e_2_2_0&
33898
33899 )
33900 e_3_3_0 = zeta*( c1*e_2_2_0 &
33901
33902
33903 )
33904 e_3_2_1 = zetb*( c1*e_2_2_0 &
33905
33906
33907 )
33908 e_0_3_1 = zetb*( &
33909 +c3*e_0_3_0&
33910 +2*e_1_3_0 &
33911 )
33912 e_1_3_1 = zetb*( c1*e_0_3_0 &
33913 +c3*e_1_3_0&
33914 +4*e_2_3_0 &
33915 )
33916 e_2_3_1 = zetb*( c1*e_1_3_0 &
33917 +c3*e_2_3_0&
33918 +6*e_3_3_0 &
33919 )
33920 e_3_3_1 = zetb*( c1*e_2_3_0 &
33921 +c3*e_3_3_0&
33922
33923 )
33924 e_4_3_1 = zetb*( c1*e_3_3_0 &
33925
33926
33927 )
33928 e_0_1_1 = zeta*( &
33929 +c2*e_0_0_1&
33930 +2*e_1_0_1 &
33931 )
33932 e_0_0_2 = zetb*( &
33933 +c3*e_0_0_1&
33934 +2*e_1_0_1 &
33935 -2*e_0_0_0)
33936 e_1_1_1 = zeta*( c1*e_0_0_1 &
33937 +c2*e_1_0_1&
33938
33939 )
33940 e_1_0_2 = zetb*( c1*e_0_0_1 &
33941 +c3*e_1_0_1&
33942
33943 )
33944 e_2_1_1 = zeta*( c1*e_1_0_1 &
33945
33946
33947 )
33948 e_2_0_2 = zetb*( c1*e_1_0_1 &
33949
33950
33951 )
33952 e_0_2_1 = zeta*( &
33953 +c2*e_0_1_1&
33954 +2*e_1_1_1 &
33955 -2*e_0_0_1)
33956 e_0_1_2 = zetb*( &
33957 +c3*e_0_1_1&
33958 +2*e_1_1_1 &
33959 -2*e_0_1_0)
33960 e_1_2_1 = zeta*( c1*e_0_1_1 &
33961 +c2*e_1_1_1&
33962 +4*e_2_1_1 &
33963 -2*e_1_0_1)
33964 e_1_1_2 = zetb*( c1*e_0_1_1 &
33965 +c3*e_1_1_1&
33966 +4*e_2_1_1 &
33967 -2*e_1_1_0)
33968 e_2_2_1 = zeta*( c1*e_1_1_1 &
33969 +c2*e_2_1_1&
33970
33971 )
33972 e_2_1_2 = zetb*( c1*e_1_1_1 &
33973 +c3*e_2_1_1&
33974
33975 )
33976 e_3_2_1 = zeta*( c1*e_2_1_1 &
33977
33978
33979 )
33980 e_3_1_2 = zetb*( c1*e_2_1_1 &
33981
33982
33983 )
33984 e_0_3_1 = zeta*( &
33985 +c2*e_0_2_1&
33986 +2*e_1_2_1 &
33987 -4*e_0_1_1)
33988 e_0_2_2 = zetb*( &
33989 +c3*e_0_2_1&
33990 +2*e_1_2_1 &
33991 -2*e_0_2_0)
33992 e_1_3_1 = zeta*( c1*e_0_2_1 &
33993 +c2*e_1_2_1&
33994 +4*e_2_2_1 &
33995 -4*e_1_1_1)
33996 e_1_2_2 = zetb*( c1*e_0_2_1 &
33997 +c3*e_1_2_1&
33998 +4*e_2_2_1 &
33999 -2*e_1_2_0)
34000 e_2_3_1 = zeta*( c1*e_1_2_1 &
34001 +c2*e_2_2_1&
34002 +6*e_3_2_1 &
34003 -4*e_2_1_1)
34004 e_2_2_2 = zetb*( c1*e_1_2_1 &
34005 +c3*e_2_2_1&
34006 +6*e_3_2_1 &
34007 -2*e_2_2_0)
34008 e_3_3_1 = zeta*( c1*e_2_2_1 &
34009 +c2*e_3_2_1&
34010
34011 )
34012 e_3_2_2 = zetb*( c1*e_2_2_1 &
34013 +c3*e_3_2_1&
34014
34015 )
34016 e_4_3_1 = zeta*( c1*e_3_2_1 &
34017
34018
34019 )
34020 e_4_2_2 = zetb*( c1*e_3_2_1 &
34021
34022
34023 )
34024 e_0_3_2 = zetb*( &
34025 +c3*e_0_3_1&
34026 +2*e_1_3_1 &
34027 -2*e_0_3_0)
34028 e_1_3_2 = zetb*( c1*e_0_3_1 &
34029 +c3*e_1_3_1&
34030 +4*e_2_3_1 &
34031 -2*e_1_3_0)
34032 e_2_3_2 = zetb*( c1*e_1_3_1 &
34033 +c3*e_2_3_1&
34034 +6*e_3_3_1 &
34035 -2*e_2_3_0)
34036 e_3_3_2 = zetb*( c1*e_2_3_1 &
34037 +c3*e_3_3_1&
34038 +8*e_4_3_1 &
34039 -2*e_3_3_0)
34040 e_4_3_2 = zetb*( c1*e_3_3_1 &
34041 +c3*e_4_3_1&
34042
34043 )
34044 e_5_3_2 = zetb*( c1*e_4_3_1 &
34045
34046
34047 )
34048 e_0_1_2 = zeta*( &
34049 +c2*e_0_0_2&
34050 +2*e_1_0_2 &
34051 )
34052 e_0_0_3 = zetb*( &
34053 +c3*e_0_0_2&
34054 +2*e_1_0_2 &
34055 -4*e_0_0_1)
34056 e_1_1_2 = zeta*( c1*e_0_0_2 &
34057 +c2*e_1_0_2&
34058 +4*e_2_0_2 &
34059 )
34060 e_1_0_3 = zetb*( c1*e_0_0_2 &
34061 +c3*e_1_0_2&
34062 +4*e_2_0_2 &
34063 -4*e_1_0_1)
34064 e_2_1_2 = zeta*( c1*e_1_0_2 &
34065 +c2*e_2_0_2&
34066
34067 )
34068 e_2_0_3 = zetb*( c1*e_1_0_2 &
34069 +c3*e_2_0_2&
34070
34071 )
34072 e_3_1_2 = zeta*( c1*e_2_0_2 &
34073
34074
34075 )
34076 e_3_0_3 = zetb*( c1*e_2_0_2 &
34077
34078
34079 )
34080 e_0_2_2 = zeta*( &
34081 +c2*e_0_1_2&
34082 +2*e_1_1_2 &
34083 -2*e_0_0_2)
34084 e_0_1_3 = zetb*( &
34085 +c3*e_0_1_2&
34086 +2*e_1_1_2 &
34087 -4*e_0_1_1)
34088 e_1_2_2 = zeta*( c1*e_0_1_2 &
34089 +c2*e_1_1_2&
34090 +4*e_2_1_2 &
34091 -2*e_1_0_2)
34092 e_1_1_3 = zetb*( c1*e_0_1_2 &
34093 +c3*e_1_1_2&
34094 +4*e_2_1_2 &
34095 -4*e_1_1_1)
34096 e_2_2_2 = zeta*( c1*e_1_1_2 &
34097 +c2*e_2_1_2&
34098 +6*e_3_1_2 &
34099 -2*e_2_0_2)
34100 e_2_1_3 = zetb*( c1*e_1_1_2 &
34101 +c3*e_2_1_2&
34102 +6*e_3_1_2 &
34103 -4*e_2_1_1)
34104 e_3_2_2 = zeta*( c1*e_2_1_2 &
34105 +c2*e_3_1_2&
34106
34107 )
34108 e_3_1_3 = zetb*( c1*e_2_1_2 &
34109 +c3*e_3_1_2&
34110
34111 )
34112 e_4_2_2 = zeta*( c1*e_3_1_2 &
34113
34114
34115 )
34116 e_4_1_3 = zetb*( c1*e_3_1_2 &
34117
34118
34119 )
34120 e_0_3_2 = zeta*( &
34121 +c2*e_0_2_2&
34122 +2*e_1_2_2 &
34123 -4*e_0_1_2)
34124 e_0_2_3 = zetb*( &
34125 +c3*e_0_2_2&
34126 +2*e_1_2_2 &
34127 -4*e_0_2_1)
34128 e_1_3_2 = zeta*( c1*e_0_2_2 &
34129 +c2*e_1_2_2&
34130 +4*e_2_2_2 &
34131 -4*e_1_1_2)
34132 e_1_2_3 = zetb*( c1*e_0_2_2 &
34133 +c3*e_1_2_2&
34134 +4*e_2_2_2 &
34135 -4*e_1_2_1)
34136 e_2_3_2 = zeta*( c1*e_1_2_2 &
34137 +c2*e_2_2_2&
34138 +6*e_3_2_2 &
34139 -4*e_2_1_2)
34140 e_2_2_3 = zetb*( c1*e_1_2_2 &
34141 +c3*e_2_2_2&
34142 +6*e_3_2_2 &
34143 -4*e_2_2_1)
34144 e_3_3_2 = zeta*( c1*e_2_2_2 &
34145 +c2*e_3_2_2&
34146 +8*e_4_2_2 &
34147 -4*e_3_1_2)
34148 e_3_2_3 = zetb*( c1*e_2_2_2 &
34149 +c3*e_3_2_2&
34150 +8*e_4_2_2 &
34151 -4*e_3_2_1)
34152 e_4_3_2 = zeta*( c1*e_3_2_2 &
34153 +c2*e_4_2_2&
34154
34155 )
34156 e_4_2_3 = zetb*( c1*e_3_2_2 &
34157 +c3*e_4_2_2&
34158
34159 )
34160 e_5_3_2 = zeta*( c1*e_4_2_2 &
34161
34162
34163 )
34164 e_5_2_3 = zetb*( c1*e_4_2_2 &
34165
34166
34167 )
34168 e_0_3_3 = zetb*( &
34169 +c3*e_0_3_2&
34170 +2*e_1_3_2 &
34171 -4*e_0_3_1)
34172 e_1_3_3 = zetb*( c1*e_0_3_2 &
34173 +c3*e_1_3_2&
34174 +4*e_2_3_2 &
34175 -4*e_1_3_1)
34176 e_2_3_3 = zetb*( c1*e_1_3_2 &
34177 +c3*e_2_3_2&
34178 +6*e_3_3_2 &
34179 -4*e_2_3_1)
34180 e_3_3_3 = zetb*( c1*e_2_3_2 &
34181 +c3*e_3_3_2&
34182 +8*e_4_3_2 &
34183 -4*e_3_3_1)
34184 e_4_3_3 = zetb*( c1*e_3_3_2 &
34185 +c3*e_4_3_2&
34186 +10*e_5_3_2 &
34187 -4*e_4_3_1)
34188 e_5_3_3 = zetb*( c1*e_4_3_2 &
34189 +c3*e_5_3_2&
34190
34191 )
34192 e_6_3_3 = zetb*( c1*e_5_3_2 &
34193
34194
34195 )
34196 e_0_1_3 = zeta*( &
34197 +c2*e_0_0_3&
34198 +2*e_1_0_3 &
34199 )
34200 e_1_1_3 = zeta*( c1*e_0_0_3 &
34201 +c2*e_1_0_3&
34202 +4*e_2_0_3 &
34203 )
34204 e_2_1_3 = zeta*( c1*e_1_0_3 &
34205 +c2*e_2_0_3&
34206 +6*e_3_0_3 &
34207 )
34208 e_3_1_3 = zeta*( c1*e_2_0_3 &
34209 +c2*e_3_0_3&
34210
34211 )
34212 e_4_1_3 = zeta*( c1*e_3_0_3 &
34213
34214
34215 )
34216 e_0_2_3 = zeta*( &
34217 +c2*e_0_1_3&
34218 +2*e_1_1_3 &
34219 -2*e_0_0_3)
34220 e_1_2_3 = zeta*( c1*e_0_1_3 &
34221 +c2*e_1_1_3&
34222 +4*e_2_1_3 &
34223 -2*e_1_0_3)
34224 e_2_2_3 = zeta*( c1*e_1_1_3 &
34225 +c2*e_2_1_3&
34226 +6*e_3_1_3 &
34227 -2*e_2_0_3)
34228 e_3_2_3 = zeta*( c1*e_2_1_3 &
34229 +c2*e_3_1_3&
34230 +8*e_4_1_3 &
34231 -2*e_3_0_3)
34232 e_4_2_3 = zeta*( c1*e_3_1_3 &
34233 +c2*e_4_1_3&
34234
34235 )
34236 e_5_2_3 = zeta*( c1*e_4_1_3 &
34237
34238
34239 )
34240 e_0_3_3 = zeta*( &
34241 +c2*e_0_2_3&
34242 +2*e_1_2_3 &
34243 -4*e_0_1_3)
34244 e_1_3_3 = zeta*( c1*e_0_2_3 &
34245 +c2*e_1_2_3&
34246 +4*e_2_2_3 &
34247 -4*e_1_1_3)
34248 e_2_3_3 = zeta*( c1*e_1_2_3 &
34249 +c2*e_2_2_3&
34250 +6*e_3_2_3 &
34251 -4*e_2_1_3)
34252 e_3_3_3 = zeta*( c1*e_2_2_3 &
34253 +c2*e_3_2_3&
34254 +8*e_4_2_3 &
34255 -4*e_3_1_3)
34256 e_4_3_3 = zeta*( c1*e_3_2_3 &
34257 +c2*e_4_2_3&
34258 +10*e_5_2_3 &
34259 -4*e_4_1_3)
34260 e_5_3_3 = zeta*( c1*e_4_2_3 &
34261 +c2*e_5_2_3&
34262
34263 )
34264 e_6_3_3 = zeta*( c1*e_5_2_3 &
34265
34266
34267 )
34268
34269 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
34270 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
34271 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
34272 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
34273 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
34274 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
34275 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
34276 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
34277 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
34278 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
34279 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
34280 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
34281 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
34282 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
34283 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
34284 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
34285 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
34286 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
34287 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
34288 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
34289 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
34290 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
34291 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
34292 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34293 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
34294 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
34295 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
34296 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
34297 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
34298 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
34299 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
34300 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
34301 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
34302 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
34303 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
34304 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34305 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
34306 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
34307 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
34308 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
34309 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34310 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34311 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
34312 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
34313 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
34314 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
34315 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
34316 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
34317 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
34318 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
34319 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34320 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
34321 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
34322 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
34323 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
34324 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34325 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34326 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
34327 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
34328 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
34329 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
34330 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34331 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34332 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34333 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
34334 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
34335 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
34336 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
34337 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
34338 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
34339 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
34340 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
34341 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
34342 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
34343 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
34344 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
34345 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
34346 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
34347 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
34348 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
34349 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
34350 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
34351 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
34352 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
34353 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
34354 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
34355 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
34356 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
34357 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
34358 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
34359 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
34360 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
34361 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
34362 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
34363 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
34364 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
34365 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
34366 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
34367 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
34368 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
34369 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
34370 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
34371 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
34372 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
34373 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
34374 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
34375 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
34376 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
34377 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
34378 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
34379 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
34380 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
34381 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
34382 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
34383 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
34384 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
34385 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
34386 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
34387 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
34388 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
34389 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
34390 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
34391 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
34392 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
34393 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
34394 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
34395 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
34396 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
34397 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
34398 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
34399 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
34400 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
34401 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
34402 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
34403 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
34404 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
34405 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
34406 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
34407 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
34408 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
34409 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
34410 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
34411 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
34412 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
34413 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
34414 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
34415 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
34416 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
34417 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
34418 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34419 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
34420 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
34421 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
34422 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
34423 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
34424 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
34425 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
34426 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
34427 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
34428 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
34429 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
34430 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34431 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
34432 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
34433 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
34434 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
34435 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34436 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34437 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
34438 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
34439 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
34440 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
34441 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
34442 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
34443 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
34444 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
34445 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34446 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
34447 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
34448 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
34449 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
34450 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34451 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34452 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
34453 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
34454 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
34455 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
34456 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34457 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34458 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34459 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
34460 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
34461 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
34462 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
34463 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
34464 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
34465 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
34466 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
34467 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
34468 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
34469 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
34470 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
34471 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
34472 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
34473 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
34474 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
34475 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
34476 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
34477 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
34478 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
34479 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
34480 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
34481 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
34482 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
34483 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
34484 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
34485 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
34486 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
34487 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
34488 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
34489 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
34490 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
34491 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
34492 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
34493 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
34494 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
34495 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
34496 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
34497 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
34498 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
34499 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
34500 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
34501 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
34502 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
34503 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
34504 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
34505 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
34506 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
34507 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
34508 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
34509 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
34510 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
34511 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
34512 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
34513 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
34514 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
34515 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
34516 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
34517 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
34518 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
34519 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
34520 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
34521 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
34522 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
34523 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
34524 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
34525 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
34526 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
34527 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
34528 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
34529 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
34530 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
34531 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
34532 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
34533 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
34534 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
34535 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
34536 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
34537 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
34538 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
34539 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
34540 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
34541 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
34542 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
34543 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
34544 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34545 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
34546 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
34547 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
34548 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
34549 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
34550 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
34551 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
34552 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
34553 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
34554 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
34555 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
34556 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34557 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
34558 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
34559 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
34560 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
34561 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34562 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34563 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
34564 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
34565 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
34566 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
34567 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
34568 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
34569 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
34570 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
34571 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34572 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
34573 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
34574 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
34575 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
34576 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34577 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34578 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
34579 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
34580 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
34581 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
34582 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34583 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34584 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34585 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
34586 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
34587 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
34588 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
34589 r1 = r1 + dr
34590 END DO
34591
34592 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
34593 END SUBROUTINE
34594 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_0_exp_0 ( &
34595 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
34596 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
34597 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
34598 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
34599 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
34600 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
34601 r_pow_t, r_tmp, rr1_delta, rr2_delta
34602
34603 REAL(kind=dp) :: c1, c2, c3
34604 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
34605 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
34606 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
34607 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
34608 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
34609 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
34610 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
34611 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
34612 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
34613 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
34614 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
34615 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
34616 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
34617
34618
34619 dr = lgth
34620 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
34621
34622 s_r(:, :, :) = 0.0_dp
34623
34624 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
34625
34626 h_to_c_0_0 = sqrt(alpha/pi)
34627
34628 h_to_c_0_1 = 0.0_dp
34629 h_to_c_1_1 = +2*alpha*h_to_c_0_0
34630 h_to_c_0_2 = -1*h_to_c_1_1
34631 h_to_c_1_2 = +2*alpha*h_to_c_0_1
34632 h_to_c_2_2 = +2*alpha*h_to_c_1_1
34633 h_to_c_0_3 = -1*h_to_c_1_2
34634 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
34635 h_to_c_2_3 = +2*alpha*h_to_c_1_2
34636 h_to_c_3_3 = +2*alpha*h_to_c_2_2
34637 h_to_c_0_4 = -1*h_to_c_1_3
34638 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
34639 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
34640 h_to_c_3_4 = +2*alpha*h_to_c_2_3
34641 h_to_c_4_4 = +2*alpha*h_to_c_3_3
34642 h_to_c_0_5 = -1*h_to_c_1_4
34643 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
34644 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
34645 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
34646 h_to_c_4_5 = +2*alpha*h_to_c_3_4
34647 h_to_c_5_5 = +2*alpha*h_to_c_4_4
34648 h_to_c_0_6 = -1*h_to_c_1_5
34649 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
34650 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
34651 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
34652 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
34653 h_to_c_5_6 = +2*alpha*h_to_c_4_5
34654 h_to_c_6_6 = +2*alpha*h_to_c_5_5
34655 h_to_c_0_7 = -1*h_to_c_1_6
34656 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
34657 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
34658 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
34659 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
34660 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
34661 h_to_c_6_7 = +2*alpha*h_to_c_5_6
34662 h_to_c_7_7 = +2*alpha*h_to_c_6_6
34663
34664
34665 rr1_delta = (ra - rb)/dr
34666
34667 rr1_l = ceiling(-r_c(1) + rr1_delta)
34668 rr1_r = floor(r_c(1) + rr1_delta)
34669
34670 r1 = rr1_l*dr
34671
34672 alpha_e = zeta*zetb/(zeta + zetb)
34673
34674 DO rr1 = rr1_l, rr1_r
34675 s_r_t_0 = 0.0_dp
34676 s_r_t2_0 = 0.0_dp
34677 s_r_t_1 = 0.0_dp
34678 s_r_t2_1 = 0.0_dp
34679 s_r_t_2 = 0.0_dp
34680 s_r_t2_2 = 0.0_dp
34681 s_r_t_3 = 0.0_dp
34682 s_r_t2_3 = 0.0_dp
34683 s_r_t_4 = 0.0_dp
34684 s_r_t2_4 = 0.0_dp
34685 s_r_t_5 = 0.0_dp
34686 s_r_t2_5 = 0.0_dp
34687 s_r_t_6 = 0.0_dp
34688 s_r_t2_6 = 0.0_dp
34689 s_r_t_7 = 0.0_dp
34690 s_r_t2_7 = 0.0_dp
34691 r_tmp = r_offset + r1*zeta/(zeta + zetb)
34692 rr2_delta = -r_tmp/dr
34693
34694 rr2_l = ceiling(-r_c(2) + rr2_delta)
34695 rr2_r = floor(r_c(2) + rr2_delta)
34696
34697 r = r_tmp + (rr2_l)*dr
34698
34699
34700 DO rr2 = rr2_l, rr2_r
34701 r_pow_t = 1.0_dp
34702 exp2_rsq = exp(-alpha*r*r)
34703 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
34704 r_pow_t = r_pow_t*r
34705 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
34706 r_pow_t = r_pow_t*r
34707 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
34708 r_pow_t = r_pow_t*r
34709 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
34710 r_pow_t = r_pow_t*r
34711 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
34712 r_pow_t = r_pow_t*r
34713 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
34714 r_pow_t = r_pow_t*r
34715 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
34716 r_pow_t = r_pow_t*r
34717 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
34718
34719 r = r + dr
34720 END DO
34721
34722 ! C --> H
34723 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
34724 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
34725 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
34726 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
34727 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
34728 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
34729 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
34730 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
34731 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
34732 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
34733 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
34734 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
34735 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
34736 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
34737 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
34738 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
34739 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
34740 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
34741 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
34742 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
34743 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
34744 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
34745 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
34746 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
34747 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
34748 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
34749 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
34750 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
34751 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
34752 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
34753 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
34754 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
34755 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
34756 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
34757 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
34758 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
34759
34760 ! H --> HH
34761 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
34762
34763 c1 = 1.0_dp/(zeta + zetb)
34764 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
34765 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
34766
34767 e_0_1_0 = zeta*( &
34768 +c2*e_0_0_0&
34769
34770 )
34771 e_0_0_1 = zetb*( &
34772 +c3*e_0_0_0&
34773
34774 )
34775 e_1_1_0 = zeta*( c1*e_0_0_0 &
34776
34777
34778 )
34779 e_1_0_1 = zetb*( c1*e_0_0_0 &
34780
34781
34782 )
34783 e_0_2_0 = zeta*( &
34784 +c2*e_0_1_0&
34785 +2*e_1_1_0 &
34786 -2*e_0_0_0)
34787 e_0_1_1 = zetb*( &
34788 +c3*e_0_1_0&
34789 +2*e_1_1_0 &
34790 )
34791 e_1_2_0 = zeta*( c1*e_0_1_0 &
34792 +c2*e_1_1_0&
34793
34794 )
34795 e_1_1_1 = zetb*( c1*e_0_1_0 &
34796 +c3*e_1_1_0&
34797
34798 )
34799 e_2_2_0 = zeta*( c1*e_1_1_0 &
34800
34801
34802 )
34803 e_2_1_1 = zetb*( c1*e_1_1_0 &
34804
34805
34806 )
34807 e_0_3_0 = zeta*( &
34808 +c2*e_0_2_0&
34809 +2*e_1_2_0 &
34810 -4*e_0_1_0)
34811 e_0_2_1 = zetb*( &
34812 +c3*e_0_2_0&
34813 +2*e_1_2_0 &
34814 )
34815 e_1_3_0 = zeta*( c1*e_0_2_0 &
34816 +c2*e_1_2_0&
34817 +4*e_2_2_0 &
34818 -4*e_1_1_0)
34819 e_1_2_1 = zetb*( c1*e_0_2_0 &
34820 +c3*e_1_2_0&
34821 +4*e_2_2_0 &
34822 )
34823 e_2_3_0 = zeta*( c1*e_1_2_0 &
34824 +c2*e_2_2_0&
34825
34826 )
34827 e_2_2_1 = zetb*( c1*e_1_2_0 &
34828 +c3*e_2_2_0&
34829
34830 )
34831 e_3_3_0 = zeta*( c1*e_2_2_0 &
34832
34833
34834 )
34835 e_3_2_1 = zetb*( c1*e_2_2_0 &
34836
34837
34838 )
34839 e_0_3_1 = zetb*( &
34840 +c3*e_0_3_0&
34841 +2*e_1_3_0 &
34842 )
34843 e_1_3_1 = zetb*( c1*e_0_3_0 &
34844 +c3*e_1_3_0&
34845 +4*e_2_3_0 &
34846 )
34847 e_2_3_1 = zetb*( c1*e_1_3_0 &
34848 +c3*e_2_3_0&
34849 +6*e_3_3_0 &
34850 )
34851 e_3_3_1 = zetb*( c1*e_2_3_0 &
34852 +c3*e_3_3_0&
34853
34854 )
34855 e_4_3_1 = zetb*( c1*e_3_3_0 &
34856
34857
34858 )
34859 e_0_1_1 = zeta*( &
34860 +c2*e_0_0_1&
34861 +2*e_1_0_1 &
34862 )
34863 e_0_0_2 = zetb*( &
34864 +c3*e_0_0_1&
34865 +2*e_1_0_1 &
34866 -2*e_0_0_0)
34867 e_1_1_1 = zeta*( c1*e_0_0_1 &
34868 +c2*e_1_0_1&
34869
34870 )
34871 e_1_0_2 = zetb*( c1*e_0_0_1 &
34872 +c3*e_1_0_1&
34873
34874 )
34875 e_2_1_1 = zeta*( c1*e_1_0_1 &
34876
34877
34878 )
34879 e_2_0_2 = zetb*( c1*e_1_0_1 &
34880
34881
34882 )
34883 e_0_2_1 = zeta*( &
34884 +c2*e_0_1_1&
34885 +2*e_1_1_1 &
34886 -2*e_0_0_1)
34887 e_0_1_2 = zetb*( &
34888 +c3*e_0_1_1&
34889 +2*e_1_1_1 &
34890 -2*e_0_1_0)
34891 e_1_2_1 = zeta*( c1*e_0_1_1 &
34892 +c2*e_1_1_1&
34893 +4*e_2_1_1 &
34894 -2*e_1_0_1)
34895 e_1_1_2 = zetb*( c1*e_0_1_1 &
34896 +c3*e_1_1_1&
34897 +4*e_2_1_1 &
34898 -2*e_1_1_0)
34899 e_2_2_1 = zeta*( c1*e_1_1_1 &
34900 +c2*e_2_1_1&
34901
34902 )
34903 e_2_1_2 = zetb*( c1*e_1_1_1 &
34904 +c3*e_2_1_1&
34905
34906 )
34907 e_3_2_1 = zeta*( c1*e_2_1_1 &
34908
34909
34910 )
34911 e_3_1_2 = zetb*( c1*e_2_1_1 &
34912
34913
34914 )
34915 e_0_3_1 = zeta*( &
34916 +c2*e_0_2_1&
34917 +2*e_1_2_1 &
34918 -4*e_0_1_1)
34919 e_0_2_2 = zetb*( &
34920 +c3*e_0_2_1&
34921 +2*e_1_2_1 &
34922 -2*e_0_2_0)
34923 e_1_3_1 = zeta*( c1*e_0_2_1 &
34924 +c2*e_1_2_1&
34925 +4*e_2_2_1 &
34926 -4*e_1_1_1)
34927 e_1_2_2 = zetb*( c1*e_0_2_1 &
34928 +c3*e_1_2_1&
34929 +4*e_2_2_1 &
34930 -2*e_1_2_0)
34931 e_2_3_1 = zeta*( c1*e_1_2_1 &
34932 +c2*e_2_2_1&
34933 +6*e_3_2_1 &
34934 -4*e_2_1_1)
34935 e_2_2_2 = zetb*( c1*e_1_2_1 &
34936 +c3*e_2_2_1&
34937 +6*e_3_2_1 &
34938 -2*e_2_2_0)
34939 e_3_3_1 = zeta*( c1*e_2_2_1 &
34940 +c2*e_3_2_1&
34941
34942 )
34943 e_3_2_2 = zetb*( c1*e_2_2_1 &
34944 +c3*e_3_2_1&
34945
34946 )
34947 e_4_3_1 = zeta*( c1*e_3_2_1 &
34948
34949
34950 )
34951 e_4_2_2 = zetb*( c1*e_3_2_1 &
34952
34953
34954 )
34955 e_0_3_2 = zetb*( &
34956 +c3*e_0_3_1&
34957 +2*e_1_3_1 &
34958 -2*e_0_3_0)
34959 e_1_3_2 = zetb*( c1*e_0_3_1 &
34960 +c3*e_1_3_1&
34961 +4*e_2_3_1 &
34962 -2*e_1_3_0)
34963 e_2_3_2 = zetb*( c1*e_1_3_1 &
34964 +c3*e_2_3_1&
34965 +6*e_3_3_1 &
34966 -2*e_2_3_0)
34967 e_3_3_2 = zetb*( c1*e_2_3_1 &
34968 +c3*e_3_3_1&
34969 +8*e_4_3_1 &
34970 -2*e_3_3_0)
34971 e_4_3_2 = zetb*( c1*e_3_3_1 &
34972 +c3*e_4_3_1&
34973
34974 )
34975 e_5_3_2 = zetb*( c1*e_4_3_1 &
34976
34977
34978 )
34979 e_0_1_2 = zeta*( &
34980 +c2*e_0_0_2&
34981 +2*e_1_0_2 &
34982 )
34983 e_0_0_3 = zetb*( &
34984 +c3*e_0_0_2&
34985 +2*e_1_0_2 &
34986 -4*e_0_0_1)
34987 e_1_1_2 = zeta*( c1*e_0_0_2 &
34988 +c2*e_1_0_2&
34989 +4*e_2_0_2 &
34990 )
34991 e_1_0_3 = zetb*( c1*e_0_0_2 &
34992 +c3*e_1_0_2&
34993 +4*e_2_0_2 &
34994 -4*e_1_0_1)
34995 e_2_1_2 = zeta*( c1*e_1_0_2 &
34996 +c2*e_2_0_2&
34997
34998 )
34999 e_2_0_3 = zetb*( c1*e_1_0_2 &
35000 +c3*e_2_0_2&
35001
35002 )
35003 e_3_1_2 = zeta*( c1*e_2_0_2 &
35004
35005
35006 )
35007 e_3_0_3 = zetb*( c1*e_2_0_2 &
35008
35009
35010 )
35011 e_0_2_2 = zeta*( &
35012 +c2*e_0_1_2&
35013 +2*e_1_1_2 &
35014 -2*e_0_0_2)
35015 e_0_1_3 = zetb*( &
35016 +c3*e_0_1_2&
35017 +2*e_1_1_2 &
35018 -4*e_0_1_1)
35019 e_1_2_2 = zeta*( c1*e_0_1_2 &
35020 +c2*e_1_1_2&
35021 +4*e_2_1_2 &
35022 -2*e_1_0_2)
35023 e_1_1_3 = zetb*( c1*e_0_1_2 &
35024 +c3*e_1_1_2&
35025 +4*e_2_1_2 &
35026 -4*e_1_1_1)
35027 e_2_2_2 = zeta*( c1*e_1_1_2 &
35028 +c2*e_2_1_2&
35029 +6*e_3_1_2 &
35030 -2*e_2_0_2)
35031 e_2_1_3 = zetb*( c1*e_1_1_2 &
35032 +c3*e_2_1_2&
35033 +6*e_3_1_2 &
35034 -4*e_2_1_1)
35035 e_3_2_2 = zeta*( c1*e_2_1_2 &
35036 +c2*e_3_1_2&
35037
35038 )
35039 e_3_1_3 = zetb*( c1*e_2_1_2 &
35040 +c3*e_3_1_2&
35041
35042 )
35043 e_4_2_2 = zeta*( c1*e_3_1_2 &
35044
35045
35046 )
35047 e_4_1_3 = zetb*( c1*e_3_1_2 &
35048
35049
35050 )
35051 e_0_3_2 = zeta*( &
35052 +c2*e_0_2_2&
35053 +2*e_1_2_2 &
35054 -4*e_0_1_2)
35055 e_0_2_3 = zetb*( &
35056 +c3*e_0_2_2&
35057 +2*e_1_2_2 &
35058 -4*e_0_2_1)
35059 e_1_3_2 = zeta*( c1*e_0_2_2 &
35060 +c2*e_1_2_2&
35061 +4*e_2_2_2 &
35062 -4*e_1_1_2)
35063 e_1_2_3 = zetb*( c1*e_0_2_2 &
35064 +c3*e_1_2_2&
35065 +4*e_2_2_2 &
35066 -4*e_1_2_1)
35067 e_2_3_2 = zeta*( c1*e_1_2_2 &
35068 +c2*e_2_2_2&
35069 +6*e_3_2_2 &
35070 -4*e_2_1_2)
35071 e_2_2_3 = zetb*( c1*e_1_2_2 &
35072 +c3*e_2_2_2&
35073 +6*e_3_2_2 &
35074 -4*e_2_2_1)
35075 e_3_3_2 = zeta*( c1*e_2_2_2 &
35076 +c2*e_3_2_2&
35077 +8*e_4_2_2 &
35078 -4*e_3_1_2)
35079 e_3_2_3 = zetb*( c1*e_2_2_2 &
35080 +c3*e_3_2_2&
35081 +8*e_4_2_2 &
35082 -4*e_3_2_1)
35083 e_4_3_2 = zeta*( c1*e_3_2_2 &
35084 +c2*e_4_2_2&
35085
35086 )
35087 e_4_2_3 = zetb*( c1*e_3_2_2 &
35088 +c3*e_4_2_2&
35089
35090 )
35091 e_5_3_2 = zeta*( c1*e_4_2_2 &
35092
35093
35094 )
35095 e_5_2_3 = zetb*( c1*e_4_2_2 &
35096
35097
35098 )
35099 e_0_3_3 = zetb*( &
35100 +c3*e_0_3_2&
35101 +2*e_1_3_2 &
35102 -4*e_0_3_1)
35103 e_1_3_3 = zetb*( c1*e_0_3_2 &
35104 +c3*e_1_3_2&
35105 +4*e_2_3_2 &
35106 -4*e_1_3_1)
35107 e_2_3_3 = zetb*( c1*e_1_3_2 &
35108 +c3*e_2_3_2&
35109 +6*e_3_3_2 &
35110 -4*e_2_3_1)
35111 e_3_3_3 = zetb*( c1*e_2_3_2 &
35112 +c3*e_3_3_2&
35113 +8*e_4_3_2 &
35114 -4*e_3_3_1)
35115 e_4_3_3 = zetb*( c1*e_3_3_2 &
35116 +c3*e_4_3_2&
35117 +10*e_5_3_2 &
35118 -4*e_4_3_1)
35119 e_5_3_3 = zetb*( c1*e_4_3_2 &
35120 +c3*e_5_3_2&
35121
35122 )
35123 e_6_3_3 = zetb*( c1*e_5_3_2 &
35124
35125
35126 )
35127 e_0_1_3 = zeta*( &
35128 +c2*e_0_0_3&
35129 +2*e_1_0_3 &
35130 )
35131 e_0_0_4 = zetb*( &
35132 +c3*e_0_0_3&
35133 +2*e_1_0_3 &
35134 -6*e_0_0_2)
35135 e_1_1_3 = zeta*( c1*e_0_0_3 &
35136 +c2*e_1_0_3&
35137 +4*e_2_0_3 &
35138 )
35139 e_1_0_4 = zetb*( c1*e_0_0_3 &
35140 +c3*e_1_0_3&
35141 +4*e_2_0_3 &
35142 -6*e_1_0_2)
35143 e_2_1_3 = zeta*( c1*e_1_0_3 &
35144 +c2*e_2_0_3&
35145 +6*e_3_0_3 &
35146 )
35147 e_2_0_4 = zetb*( c1*e_1_0_3 &
35148 +c3*e_2_0_3&
35149 +6*e_3_0_3 &
35150 -6*e_2_0_2)
35151 e_3_1_3 = zeta*( c1*e_2_0_3 &
35152 +c2*e_3_0_3&
35153
35154 )
35155 e_3_0_4 = zetb*( c1*e_2_0_3 &
35156 +c3*e_3_0_3&
35157
35158 )
35159 e_4_1_3 = zeta*( c1*e_3_0_3 &
35160
35161
35162 )
35163 e_4_0_4 = zetb*( c1*e_3_0_3 &
35164
35165
35166 )
35167 e_0_2_3 = zeta*( &
35168 +c2*e_0_1_3&
35169 +2*e_1_1_3 &
35170 -2*e_0_0_3)
35171 e_0_1_4 = zetb*( &
35172 +c3*e_0_1_3&
35173 +2*e_1_1_3 &
35174 -6*e_0_1_2)
35175 e_1_2_3 = zeta*( c1*e_0_1_3 &
35176 +c2*e_1_1_3&
35177 +4*e_2_1_3 &
35178 -2*e_1_0_3)
35179 e_1_1_4 = zetb*( c1*e_0_1_3 &
35180 +c3*e_1_1_3&
35181 +4*e_2_1_3 &
35182 -6*e_1_1_2)
35183 e_2_2_3 = zeta*( c1*e_1_1_3 &
35184 +c2*e_2_1_3&
35185 +6*e_3_1_3 &
35186 -2*e_2_0_3)
35187 e_2_1_4 = zetb*( c1*e_1_1_3 &
35188 +c3*e_2_1_3&
35189 +6*e_3_1_3 &
35190 -6*e_2_1_2)
35191 e_3_2_3 = zeta*( c1*e_2_1_3 &
35192 +c2*e_3_1_3&
35193 +8*e_4_1_3 &
35194 -2*e_3_0_3)
35195 e_3_1_4 = zetb*( c1*e_2_1_3 &
35196 +c3*e_3_1_3&
35197 +8*e_4_1_3 &
35198 -6*e_3_1_2)
35199 e_4_2_3 = zeta*( c1*e_3_1_3 &
35200 +c2*e_4_1_3&
35201
35202 )
35203 e_4_1_4 = zetb*( c1*e_3_1_3 &
35204 +c3*e_4_1_3&
35205
35206 )
35207 e_5_2_3 = zeta*( c1*e_4_1_3 &
35208
35209
35210 )
35211 e_5_1_4 = zetb*( c1*e_4_1_3 &
35212
35213
35214 )
35215 e_0_3_3 = zeta*( &
35216 +c2*e_0_2_3&
35217 +2*e_1_2_3 &
35218 -4*e_0_1_3)
35219 e_0_2_4 = zetb*( &
35220 +c3*e_0_2_3&
35221 +2*e_1_2_3 &
35222 -6*e_0_2_2)
35223 e_1_3_3 = zeta*( c1*e_0_2_3 &
35224 +c2*e_1_2_3&
35225 +4*e_2_2_3 &
35226 -4*e_1_1_3)
35227 e_1_2_4 = zetb*( c1*e_0_2_3 &
35228 +c3*e_1_2_3&
35229 +4*e_2_2_3 &
35230 -6*e_1_2_2)
35231 e_2_3_3 = zeta*( c1*e_1_2_3 &
35232 +c2*e_2_2_3&
35233 +6*e_3_2_3 &
35234 -4*e_2_1_3)
35235 e_2_2_4 = zetb*( c1*e_1_2_3 &
35236 +c3*e_2_2_3&
35237 +6*e_3_2_3 &
35238 -6*e_2_2_2)
35239 e_3_3_3 = zeta*( c1*e_2_2_3 &
35240 +c2*e_3_2_3&
35241 +8*e_4_2_3 &
35242 -4*e_3_1_3)
35243 e_3_2_4 = zetb*( c1*e_2_2_3 &
35244 +c3*e_3_2_3&
35245 +8*e_4_2_3 &
35246 -6*e_3_2_2)
35247 e_4_3_3 = zeta*( c1*e_3_2_3 &
35248 +c2*e_4_2_3&
35249 +10*e_5_2_3 &
35250 -4*e_4_1_3)
35251 e_4_2_4 = zetb*( c1*e_3_2_3 &
35252 +c3*e_4_2_3&
35253 +10*e_5_2_3 &
35254 -6*e_4_2_2)
35255 e_5_3_3 = zeta*( c1*e_4_2_3 &
35256 +c2*e_5_2_3&
35257
35258 )
35259 e_5_2_4 = zetb*( c1*e_4_2_3 &
35260 +c3*e_5_2_3&
35261
35262 )
35263 e_6_3_3 = zeta*( c1*e_5_2_3 &
35264
35265
35266 )
35267 e_6_2_4 = zetb*( c1*e_5_2_3 &
35268
35269
35270 )
35271 e_0_3_4 = zetb*( &
35272 +c3*e_0_3_3&
35273 +2*e_1_3_3 &
35274 -6*e_0_3_2)
35275 e_1_3_4 = zetb*( c1*e_0_3_3 &
35276 +c3*e_1_3_3&
35277 +4*e_2_3_3 &
35278 -6*e_1_3_2)
35279 e_2_3_4 = zetb*( c1*e_1_3_3 &
35280 +c3*e_2_3_3&
35281 +6*e_3_3_3 &
35282 -6*e_2_3_2)
35283 e_3_3_4 = zetb*( c1*e_2_3_3 &
35284 +c3*e_3_3_3&
35285 +8*e_4_3_3 &
35286 -6*e_3_3_2)
35287 e_4_3_4 = zetb*( c1*e_3_3_3 &
35288 +c3*e_4_3_3&
35289 +10*e_5_3_3 &
35290 -6*e_4_3_2)
35291 e_5_3_4 = zetb*( c1*e_4_3_3 &
35292 +c3*e_5_3_3&
35293 +12*e_6_3_3 &
35294 -6*e_5_3_2)
35295 e_6_3_4 = zetb*( c1*e_5_3_3 &
35296 +c3*e_6_3_3&
35297
35298 )
35299 e_7_3_4 = zetb*( c1*e_6_3_3 &
35300
35301
35302 )
35303 e_0_1_4 = zeta*( &
35304 +c2*e_0_0_4&
35305 +2*e_1_0_4 &
35306 )
35307 e_1_1_4 = zeta*( c1*e_0_0_4 &
35308 +c2*e_1_0_4&
35309 +4*e_2_0_4 &
35310 )
35311 e_2_1_4 = zeta*( c1*e_1_0_4 &
35312 +c2*e_2_0_4&
35313 +6*e_3_0_4 &
35314 )
35315 e_3_1_4 = zeta*( c1*e_2_0_4 &
35316 +c2*e_3_0_4&
35317 +8*e_4_0_4 &
35318 )
35319 e_4_1_4 = zeta*( c1*e_3_0_4 &
35320 +c2*e_4_0_4&
35321
35322 )
35323 e_5_1_4 = zeta*( c1*e_4_0_4 &
35324
35325
35326 )
35327 e_0_2_4 = zeta*( &
35328 +c2*e_0_1_4&
35329 +2*e_1_1_4 &
35330 -2*e_0_0_4)
35331 e_1_2_4 = zeta*( c1*e_0_1_4 &
35332 +c2*e_1_1_4&
35333 +4*e_2_1_4 &
35334 -2*e_1_0_4)
35335 e_2_2_4 = zeta*( c1*e_1_1_4 &
35336 +c2*e_2_1_4&
35337 +6*e_3_1_4 &
35338 -2*e_2_0_4)
35339 e_3_2_4 = zeta*( c1*e_2_1_4 &
35340 +c2*e_3_1_4&
35341 +8*e_4_1_4 &
35342 -2*e_3_0_4)
35343 e_4_2_4 = zeta*( c1*e_3_1_4 &
35344 +c2*e_4_1_4&
35345 +10*e_5_1_4 &
35346 -2*e_4_0_4)
35347 e_5_2_4 = zeta*( c1*e_4_1_4 &
35348 +c2*e_5_1_4&
35349
35350 )
35351 e_6_2_4 = zeta*( c1*e_5_1_4 &
35352
35353
35354 )
35355 e_0_3_4 = zeta*( &
35356 +c2*e_0_2_4&
35357 +2*e_1_2_4 &
35358 -4*e_0_1_4)
35359 e_1_3_4 = zeta*( c1*e_0_2_4 &
35360 +c2*e_1_2_4&
35361 +4*e_2_2_4 &
35362 -4*e_1_1_4)
35363 e_2_3_4 = zeta*( c1*e_1_2_4 &
35364 +c2*e_2_2_4&
35365 +6*e_3_2_4 &
35366 -4*e_2_1_4)
35367 e_3_3_4 = zeta*( c1*e_2_2_4 &
35368 +c2*e_3_2_4&
35369 +8*e_4_2_4 &
35370 -4*e_3_1_4)
35371 e_4_3_4 = zeta*( c1*e_3_2_4 &
35372 +c2*e_4_2_4&
35373 +10*e_5_2_4 &
35374 -4*e_4_1_4)
35375 e_5_3_4 = zeta*( c1*e_4_2_4 &
35376 +c2*e_5_2_4&
35377 +12*e_6_2_4 &
35378 -4*e_5_1_4)
35379 e_6_3_4 = zeta*( c1*e_5_2_4 &
35380 +c2*e_6_2_4&
35381
35382 )
35383 e_7_3_4 = zeta*( c1*e_6_2_4 &
35384
35385
35386 )
35387
35388 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
35389 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
35390 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
35391 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
35392 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
35393 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
35394 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
35395 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
35396 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
35397 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
35398 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
35399 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
35400 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
35401 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
35402 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
35403 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
35404 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
35405 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
35406 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
35407 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
35408 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
35409 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
35410 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
35411 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
35412 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
35413 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
35414 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
35415 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
35416 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
35417 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
35418 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
35419 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
35420 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
35421 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
35422 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
35423 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
35424 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
35425 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
35426 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
35427 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
35428 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
35429 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
35430 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
35431 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
35432 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
35433 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
35434 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
35435 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
35436 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
35437 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
35438 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
35439 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
35440 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
35441 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
35442 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
35443 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
35444 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
35445 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
35446 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
35447 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
35448 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
35449 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
35450 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
35451 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
35452 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
35453 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
35454 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
35455 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
35456 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
35457 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
35458 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
35459 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
35460 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
35461 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
35462 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
35463 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
35464 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
35465 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
35466 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
35467 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
35468 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
35469 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
35470 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
35471 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
35472 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
35473 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
35474 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
35475 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
35476 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
35477 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
35478 r1 = r1 + dr
35479 END DO
35480
35481 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
35482 END SUBROUTINE
35483 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_1_exp_0 ( &
35484 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
35485 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
35486 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
35487 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
35488 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
35489 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
35490 r_pow_t, r_tmp, rr1_delta, rr2_delta
35491
35492 REAL(kind=dp) :: c1, c2, c3
35493 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
35494 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
35495 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
35496 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
35497 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
35498 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
35499 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
35500 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
35501 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
35502 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
35503 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
35504 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
35505 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
35506 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
35507
35508
35509 dr = lgth
35510 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
35511
35512 s_r(:, :, :) = 0.0_dp
35513
35514 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
35515
35516 h_to_c_0_0 = sqrt(alpha/pi)
35517
35518 h_to_c_0_1 = 0.0_dp
35519 h_to_c_1_1 = +2*alpha*h_to_c_0_0
35520 h_to_c_0_2 = -1*h_to_c_1_1
35521 h_to_c_1_2 = +2*alpha*h_to_c_0_1
35522 h_to_c_2_2 = +2*alpha*h_to_c_1_1
35523 h_to_c_0_3 = -1*h_to_c_1_2
35524 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
35525 h_to_c_2_3 = +2*alpha*h_to_c_1_2
35526 h_to_c_3_3 = +2*alpha*h_to_c_2_2
35527 h_to_c_0_4 = -1*h_to_c_1_3
35528 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
35529 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
35530 h_to_c_3_4 = +2*alpha*h_to_c_2_3
35531 h_to_c_4_4 = +2*alpha*h_to_c_3_3
35532 h_to_c_0_5 = -1*h_to_c_1_4
35533 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
35534 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
35535 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
35536 h_to_c_4_5 = +2*alpha*h_to_c_3_4
35537 h_to_c_5_5 = +2*alpha*h_to_c_4_4
35538 h_to_c_0_6 = -1*h_to_c_1_5
35539 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
35540 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
35541 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
35542 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
35543 h_to_c_5_6 = +2*alpha*h_to_c_4_5
35544 h_to_c_6_6 = +2*alpha*h_to_c_5_5
35545 h_to_c_0_7 = -1*h_to_c_1_6
35546 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
35547 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
35548 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
35549 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
35550 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
35551 h_to_c_6_7 = +2*alpha*h_to_c_5_6
35552 h_to_c_7_7 = +2*alpha*h_to_c_6_6
35553 h_to_c_0_8 = -1*h_to_c_1_7
35554 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
35555 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
35556 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
35557 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
35558 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
35559 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
35560 h_to_c_7_8 = +2*alpha*h_to_c_6_7
35561 h_to_c_8_8 = +2*alpha*h_to_c_7_7
35562
35563
35564 rr1_delta = (ra - rb)/dr
35565
35566 rr1_l = ceiling(-r_c(1) + rr1_delta)
35567 rr1_r = floor(r_c(1) + rr1_delta)
35568
35569 r1 = rr1_l*dr
35570
35571 alpha_e = zeta*zetb/(zeta + zetb)
35572
35573 DO rr1 = rr1_l, rr1_r
35574 s_r_t_0 = 0.0_dp
35575 s_r_t2_0 = 0.0_dp
35576 s_r_t_1 = 0.0_dp
35577 s_r_t2_1 = 0.0_dp
35578 s_r_t_2 = 0.0_dp
35579 s_r_t2_2 = 0.0_dp
35580 s_r_t_3 = 0.0_dp
35581 s_r_t2_3 = 0.0_dp
35582 s_r_t_4 = 0.0_dp
35583 s_r_t2_4 = 0.0_dp
35584 s_r_t_5 = 0.0_dp
35585 s_r_t2_5 = 0.0_dp
35586 s_r_t_6 = 0.0_dp
35587 s_r_t2_6 = 0.0_dp
35588 s_r_t_7 = 0.0_dp
35589 s_r_t2_7 = 0.0_dp
35590 s_r_t_8 = 0.0_dp
35591 s_r_t2_8 = 0.0_dp
35592 r_tmp = r_offset + r1*zeta/(zeta + zetb)
35593 rr2_delta = -r_tmp/dr
35594
35595 rr2_l = ceiling(-r_c(2) + rr2_delta)
35596 rr2_r = floor(r_c(2) + rr2_delta)
35597
35598 r = r_tmp + (rr2_l)*dr
35599
35600
35601 DO rr2 = rr2_l, rr2_r
35602 r_pow_t = 1.0_dp
35603 exp2_rsq = exp(-alpha*r*r)
35604 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
35605 r_pow_t = r_pow_t*r
35606 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
35607 r_pow_t = r_pow_t*r
35608 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
35609 r_pow_t = r_pow_t*r
35610 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
35611 r_pow_t = r_pow_t*r
35612 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
35613 r_pow_t = r_pow_t*r
35614 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
35615 r_pow_t = r_pow_t*r
35616 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
35617 r_pow_t = r_pow_t*r
35618 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
35619 r_pow_t = r_pow_t*r
35620 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
35621
35622 r = r + dr
35623 END DO
35624
35625 ! C --> H
35626 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
35627 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
35628 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
35629 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
35630 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
35631 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
35632 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
35633 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
35634 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
35635 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
35636 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
35637 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
35638 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
35639 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
35640 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
35641 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
35642 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
35643 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
35644 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
35645 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
35646 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
35647 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
35648 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
35649 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
35650 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
35651 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
35652 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
35653 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
35654 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
35655 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
35656 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
35657 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
35658 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
35659 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
35660 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
35661 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
35662 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
35663 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
35664 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
35665 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
35666 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
35667 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
35668 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
35669 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
35670 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
35671
35672 ! H --> HH
35673 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
35674
35675 c1 = 1.0_dp/(zeta + zetb)
35676 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
35677 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
35678
35679 e_0_1_0 = zeta*( &
35680 +c2*e_0_0_0&
35681
35682 )
35683 e_0_0_1 = zetb*( &
35684 +c3*e_0_0_0&
35685
35686 )
35687 e_1_1_0 = zeta*( c1*e_0_0_0 &
35688
35689
35690 )
35691 e_1_0_1 = zetb*( c1*e_0_0_0 &
35692
35693
35694 )
35695 e_0_2_0 = zeta*( &
35696 +c2*e_0_1_0&
35697 +2*e_1_1_0 &
35698 -2*e_0_0_0)
35699 e_0_1_1 = zetb*( &
35700 +c3*e_0_1_0&
35701 +2*e_1_1_0 &
35702 )
35703 e_1_2_0 = zeta*( c1*e_0_1_0 &
35704 +c2*e_1_1_0&
35705
35706 )
35707 e_1_1_1 = zetb*( c1*e_0_1_0 &
35708 +c3*e_1_1_0&
35709
35710 )
35711 e_2_2_0 = zeta*( c1*e_1_1_0 &
35712
35713
35714 )
35715 e_2_1_1 = zetb*( c1*e_1_1_0 &
35716
35717
35718 )
35719 e_0_3_0 = zeta*( &
35720 +c2*e_0_2_0&
35721 +2*e_1_2_0 &
35722 -4*e_0_1_0)
35723 e_0_2_1 = zetb*( &
35724 +c3*e_0_2_0&
35725 +2*e_1_2_0 &
35726 )
35727 e_1_3_0 = zeta*( c1*e_0_2_0 &
35728 +c2*e_1_2_0&
35729 +4*e_2_2_0 &
35730 -4*e_1_1_0)
35731 e_1_2_1 = zetb*( c1*e_0_2_0 &
35732 +c3*e_1_2_0&
35733 +4*e_2_2_0 &
35734 )
35735 e_2_3_0 = zeta*( c1*e_1_2_0 &
35736 +c2*e_2_2_0&
35737
35738 )
35739 e_2_2_1 = zetb*( c1*e_1_2_0 &
35740 +c3*e_2_2_0&
35741
35742 )
35743 e_3_3_0 = zeta*( c1*e_2_2_0 &
35744
35745
35746 )
35747 e_3_2_1 = zetb*( c1*e_2_2_0 &
35748
35749
35750 )
35751 e_0_3_1 = zetb*( &
35752 +c3*e_0_3_0&
35753 +2*e_1_3_0 &
35754 )
35755 e_1_3_1 = zetb*( c1*e_0_3_0 &
35756 +c3*e_1_3_0&
35757 +4*e_2_3_0 &
35758 )
35759 e_2_3_1 = zetb*( c1*e_1_3_0 &
35760 +c3*e_2_3_0&
35761 +6*e_3_3_0 &
35762 )
35763 e_3_3_1 = zetb*( c1*e_2_3_0 &
35764 +c3*e_3_3_0&
35765
35766 )
35767 e_4_3_1 = zetb*( c1*e_3_3_0 &
35768
35769
35770 )
35771 e_0_1_1 = zeta*( &
35772 +c2*e_0_0_1&
35773 +2*e_1_0_1 &
35774 )
35775 e_0_0_2 = zetb*( &
35776 +c3*e_0_0_1&
35777 +2*e_1_0_1 &
35778 -2*e_0_0_0)
35779 e_1_1_1 = zeta*( c1*e_0_0_1 &
35780 +c2*e_1_0_1&
35781
35782 )
35783 e_1_0_2 = zetb*( c1*e_0_0_1 &
35784 +c3*e_1_0_1&
35785
35786 )
35787 e_2_1_1 = zeta*( c1*e_1_0_1 &
35788
35789
35790 )
35791 e_2_0_2 = zetb*( c1*e_1_0_1 &
35792
35793
35794 )
35795 e_0_2_1 = zeta*( &
35796 +c2*e_0_1_1&
35797 +2*e_1_1_1 &
35798 -2*e_0_0_1)
35799 e_0_1_2 = zetb*( &
35800 +c3*e_0_1_1&
35801 +2*e_1_1_1 &
35802 -2*e_0_1_0)
35803 e_1_2_1 = zeta*( c1*e_0_1_1 &
35804 +c2*e_1_1_1&
35805 +4*e_2_1_1 &
35806 -2*e_1_0_1)
35807 e_1_1_2 = zetb*( c1*e_0_1_1 &
35808 +c3*e_1_1_1&
35809 +4*e_2_1_1 &
35810 -2*e_1_1_0)
35811 e_2_2_1 = zeta*( c1*e_1_1_1 &
35812 +c2*e_2_1_1&
35813
35814 )
35815 e_2_1_2 = zetb*( c1*e_1_1_1 &
35816 +c3*e_2_1_1&
35817
35818 )
35819 e_3_2_1 = zeta*( c1*e_2_1_1 &
35820
35821
35822 )
35823 e_3_1_2 = zetb*( c1*e_2_1_1 &
35824
35825
35826 )
35827 e_0_3_1 = zeta*( &
35828 +c2*e_0_2_1&
35829 +2*e_1_2_1 &
35830 -4*e_0_1_1)
35831 e_0_2_2 = zetb*( &
35832 +c3*e_0_2_1&
35833 +2*e_1_2_1 &
35834 -2*e_0_2_0)
35835 e_1_3_1 = zeta*( c1*e_0_2_1 &
35836 +c2*e_1_2_1&
35837 +4*e_2_2_1 &
35838 -4*e_1_1_1)
35839 e_1_2_2 = zetb*( c1*e_0_2_1 &
35840 +c3*e_1_2_1&
35841 +4*e_2_2_1 &
35842 -2*e_1_2_0)
35843 e_2_3_1 = zeta*( c1*e_1_2_1 &
35844 +c2*e_2_2_1&
35845 +6*e_3_2_1 &
35846 -4*e_2_1_1)
35847 e_2_2_2 = zetb*( c1*e_1_2_1 &
35848 +c3*e_2_2_1&
35849 +6*e_3_2_1 &
35850 -2*e_2_2_0)
35851 e_3_3_1 = zeta*( c1*e_2_2_1 &
35852 +c2*e_3_2_1&
35853
35854 )
35855 e_3_2_2 = zetb*( c1*e_2_2_1 &
35856 +c3*e_3_2_1&
35857
35858 )
35859 e_4_3_1 = zeta*( c1*e_3_2_1 &
35860
35861
35862 )
35863 e_4_2_2 = zetb*( c1*e_3_2_1 &
35864
35865
35866 )
35867 e_0_3_2 = zetb*( &
35868 +c3*e_0_3_1&
35869 +2*e_1_3_1 &
35870 -2*e_0_3_0)
35871 e_1_3_2 = zetb*( c1*e_0_3_1 &
35872 +c3*e_1_3_1&
35873 +4*e_2_3_1 &
35874 -2*e_1_3_0)
35875 e_2_3_2 = zetb*( c1*e_1_3_1 &
35876 +c3*e_2_3_1&
35877 +6*e_3_3_1 &
35878 -2*e_2_3_0)
35879 e_3_3_2 = zetb*( c1*e_2_3_1 &
35880 +c3*e_3_3_1&
35881 +8*e_4_3_1 &
35882 -2*e_3_3_0)
35883 e_4_3_2 = zetb*( c1*e_3_3_1 &
35884 +c3*e_4_3_1&
35885
35886 )
35887 e_5_3_2 = zetb*( c1*e_4_3_1 &
35888
35889
35890 )
35891 e_0_1_2 = zeta*( &
35892 +c2*e_0_0_2&
35893 +2*e_1_0_2 &
35894 )
35895 e_0_0_3 = zetb*( &
35896 +c3*e_0_0_2&
35897 +2*e_1_0_2 &
35898 -4*e_0_0_1)
35899 e_1_1_2 = zeta*( c1*e_0_0_2 &
35900 +c2*e_1_0_2&
35901 +4*e_2_0_2 &
35902 )
35903 e_1_0_3 = zetb*( c1*e_0_0_2 &
35904 +c3*e_1_0_2&
35905 +4*e_2_0_2 &
35906 -4*e_1_0_1)
35907 e_2_1_2 = zeta*( c1*e_1_0_2 &
35908 +c2*e_2_0_2&
35909
35910 )
35911 e_2_0_3 = zetb*( c1*e_1_0_2 &
35912 +c3*e_2_0_2&
35913
35914 )
35915 e_3_1_2 = zeta*( c1*e_2_0_2 &
35916
35917
35918 )
35919 e_3_0_3 = zetb*( c1*e_2_0_2 &
35920
35921
35922 )
35923 e_0_2_2 = zeta*( &
35924 +c2*e_0_1_2&
35925 +2*e_1_1_2 &
35926 -2*e_0_0_2)
35927 e_0_1_3 = zetb*( &
35928 +c3*e_0_1_2&
35929 +2*e_1_1_2 &
35930 -4*e_0_1_1)
35931 e_1_2_2 = zeta*( c1*e_0_1_2 &
35932 +c2*e_1_1_2&
35933 +4*e_2_1_2 &
35934 -2*e_1_0_2)
35935 e_1_1_3 = zetb*( c1*e_0_1_2 &
35936 +c3*e_1_1_2&
35937 +4*e_2_1_2 &
35938 -4*e_1_1_1)
35939 e_2_2_2 = zeta*( c1*e_1_1_2 &
35940 +c2*e_2_1_2&
35941 +6*e_3_1_2 &
35942 -2*e_2_0_2)
35943 e_2_1_3 = zetb*( c1*e_1_1_2 &
35944 +c3*e_2_1_2&
35945 +6*e_3_1_2 &
35946 -4*e_2_1_1)
35947 e_3_2_2 = zeta*( c1*e_2_1_2 &
35948 +c2*e_3_1_2&
35949
35950 )
35951 e_3_1_3 = zetb*( c1*e_2_1_2 &
35952 +c3*e_3_1_2&
35953
35954 )
35955 e_4_2_2 = zeta*( c1*e_3_1_2 &
35956
35957
35958 )
35959 e_4_1_3 = zetb*( c1*e_3_1_2 &
35960
35961
35962 )
35963 e_0_3_2 = zeta*( &
35964 +c2*e_0_2_2&
35965 +2*e_1_2_2 &
35966 -4*e_0_1_2)
35967 e_0_2_3 = zetb*( &
35968 +c3*e_0_2_2&
35969 +2*e_1_2_2 &
35970 -4*e_0_2_1)
35971 e_1_3_2 = zeta*( c1*e_0_2_2 &
35972 +c2*e_1_2_2&
35973 +4*e_2_2_2 &
35974 -4*e_1_1_2)
35975 e_1_2_3 = zetb*( c1*e_0_2_2 &
35976 +c3*e_1_2_2&
35977 +4*e_2_2_2 &
35978 -4*e_1_2_1)
35979 e_2_3_2 = zeta*( c1*e_1_2_2 &
35980 +c2*e_2_2_2&
35981 +6*e_3_2_2 &
35982 -4*e_2_1_2)
35983 e_2_2_3 = zetb*( c1*e_1_2_2 &
35984 +c3*e_2_2_2&
35985 +6*e_3_2_2 &
35986 -4*e_2_2_1)
35987 e_3_3_2 = zeta*( c1*e_2_2_2 &
35988 +c2*e_3_2_2&
35989 +8*e_4_2_2 &
35990 -4*e_3_1_2)
35991 e_3_2_3 = zetb*( c1*e_2_2_2 &
35992 +c3*e_3_2_2&
35993 +8*e_4_2_2 &
35994 -4*e_3_2_1)
35995 e_4_3_2 = zeta*( c1*e_3_2_2 &
35996 +c2*e_4_2_2&
35997
35998 )
35999 e_4_2_3 = zetb*( c1*e_3_2_2 &
36000 +c3*e_4_2_2&
36001
36002 )
36003 e_5_3_2 = zeta*( c1*e_4_2_2 &
36004
36005
36006 )
36007 e_5_2_3 = zetb*( c1*e_4_2_2 &
36008
36009
36010 )
36011 e_0_3_3 = zetb*( &
36012 +c3*e_0_3_2&
36013 +2*e_1_3_2 &
36014 -4*e_0_3_1)
36015 e_1_3_3 = zetb*( c1*e_0_3_2 &
36016 +c3*e_1_3_2&
36017 +4*e_2_3_2 &
36018 -4*e_1_3_1)
36019 e_2_3_3 = zetb*( c1*e_1_3_2 &
36020 +c3*e_2_3_2&
36021 +6*e_3_3_2 &
36022 -4*e_2_3_1)
36023 e_3_3_3 = zetb*( c1*e_2_3_2 &
36024 +c3*e_3_3_2&
36025 +8*e_4_3_2 &
36026 -4*e_3_3_1)
36027 e_4_3_3 = zetb*( c1*e_3_3_2 &
36028 +c3*e_4_3_2&
36029 +10*e_5_3_2 &
36030 -4*e_4_3_1)
36031 e_5_3_3 = zetb*( c1*e_4_3_2 &
36032 +c3*e_5_3_2&
36033
36034 )
36035 e_6_3_3 = zetb*( c1*e_5_3_2 &
36036
36037
36038 )
36039 e_0_1_3 = zeta*( &
36040 +c2*e_0_0_3&
36041 +2*e_1_0_3 &
36042 )
36043 e_0_0_4 = zetb*( &
36044 +c3*e_0_0_3&
36045 +2*e_1_0_3 &
36046 -6*e_0_0_2)
36047 e_1_1_3 = zeta*( c1*e_0_0_3 &
36048 +c2*e_1_0_3&
36049 +4*e_2_0_3 &
36050 )
36051 e_1_0_4 = zetb*( c1*e_0_0_3 &
36052 +c3*e_1_0_3&
36053 +4*e_2_0_3 &
36054 -6*e_1_0_2)
36055 e_2_1_3 = zeta*( c1*e_1_0_3 &
36056 +c2*e_2_0_3&
36057 +6*e_3_0_3 &
36058 )
36059 e_2_0_4 = zetb*( c1*e_1_0_3 &
36060 +c3*e_2_0_3&
36061 +6*e_3_0_3 &
36062 -6*e_2_0_2)
36063 e_3_1_3 = zeta*( c1*e_2_0_3 &
36064 +c2*e_3_0_3&
36065
36066 )
36067 e_3_0_4 = zetb*( c1*e_2_0_3 &
36068 +c3*e_3_0_3&
36069
36070 )
36071 e_4_1_3 = zeta*( c1*e_3_0_3 &
36072
36073
36074 )
36075 e_4_0_4 = zetb*( c1*e_3_0_3 &
36076
36077
36078 )
36079 e_0_2_3 = zeta*( &
36080 +c2*e_0_1_3&
36081 +2*e_1_1_3 &
36082 -2*e_0_0_3)
36083 e_0_1_4 = zetb*( &
36084 +c3*e_0_1_3&
36085 +2*e_1_1_3 &
36086 -6*e_0_1_2)
36087 e_1_2_3 = zeta*( c1*e_0_1_3 &
36088 +c2*e_1_1_3&
36089 +4*e_2_1_3 &
36090 -2*e_1_0_3)
36091 e_1_1_4 = zetb*( c1*e_0_1_3 &
36092 +c3*e_1_1_3&
36093 +4*e_2_1_3 &
36094 -6*e_1_1_2)
36095 e_2_2_3 = zeta*( c1*e_1_1_3 &
36096 +c2*e_2_1_3&
36097 +6*e_3_1_3 &
36098 -2*e_2_0_3)
36099 e_2_1_4 = zetb*( c1*e_1_1_3 &
36100 +c3*e_2_1_3&
36101 +6*e_3_1_3 &
36102 -6*e_2_1_2)
36103 e_3_2_3 = zeta*( c1*e_2_1_3 &
36104 +c2*e_3_1_3&
36105 +8*e_4_1_3 &
36106 -2*e_3_0_3)
36107 e_3_1_4 = zetb*( c1*e_2_1_3 &
36108 +c3*e_3_1_3&
36109 +8*e_4_1_3 &
36110 -6*e_3_1_2)
36111 e_4_2_3 = zeta*( c1*e_3_1_3 &
36112 +c2*e_4_1_3&
36113
36114 )
36115 e_4_1_4 = zetb*( c1*e_3_1_3 &
36116 +c3*e_4_1_3&
36117
36118 )
36119 e_5_2_3 = zeta*( c1*e_4_1_3 &
36120
36121
36122 )
36123 e_5_1_4 = zetb*( c1*e_4_1_3 &
36124
36125
36126 )
36127 e_0_3_3 = zeta*( &
36128 +c2*e_0_2_3&
36129 +2*e_1_2_3 &
36130 -4*e_0_1_3)
36131 e_0_2_4 = zetb*( &
36132 +c3*e_0_2_3&
36133 +2*e_1_2_3 &
36134 -6*e_0_2_2)
36135 e_1_3_3 = zeta*( c1*e_0_2_3 &
36136 +c2*e_1_2_3&
36137 +4*e_2_2_3 &
36138 -4*e_1_1_3)
36139 e_1_2_4 = zetb*( c1*e_0_2_3 &
36140 +c3*e_1_2_3&
36141 +4*e_2_2_3 &
36142 -6*e_1_2_2)
36143 e_2_3_3 = zeta*( c1*e_1_2_3 &
36144 +c2*e_2_2_3&
36145 +6*e_3_2_3 &
36146 -4*e_2_1_3)
36147 e_2_2_4 = zetb*( c1*e_1_2_3 &
36148 +c3*e_2_2_3&
36149 +6*e_3_2_3 &
36150 -6*e_2_2_2)
36151 e_3_3_3 = zeta*( c1*e_2_2_3 &
36152 +c2*e_3_2_3&
36153 +8*e_4_2_3 &
36154 -4*e_3_1_3)
36155 e_3_2_4 = zetb*( c1*e_2_2_3 &
36156 +c3*e_3_2_3&
36157 +8*e_4_2_3 &
36158 -6*e_3_2_2)
36159 e_4_3_3 = zeta*( c1*e_3_2_3 &
36160 +c2*e_4_2_3&
36161 +10*e_5_2_3 &
36162 -4*e_4_1_3)
36163 e_4_2_4 = zetb*( c1*e_3_2_3 &
36164 +c3*e_4_2_3&
36165 +10*e_5_2_3 &
36166 -6*e_4_2_2)
36167 e_5_3_3 = zeta*( c1*e_4_2_3 &
36168 +c2*e_5_2_3&
36169
36170 )
36171 e_5_2_4 = zetb*( c1*e_4_2_3 &
36172 +c3*e_5_2_3&
36173
36174 )
36175 e_6_3_3 = zeta*( c1*e_5_2_3 &
36176
36177
36178 )
36179 e_6_2_4 = zetb*( c1*e_5_2_3 &
36180
36181
36182 )
36183 e_0_3_4 = zetb*( &
36184 +c3*e_0_3_3&
36185 +2*e_1_3_3 &
36186 -6*e_0_3_2)
36187 e_1_3_4 = zetb*( c1*e_0_3_3 &
36188 +c3*e_1_3_3&
36189 +4*e_2_3_3 &
36190 -6*e_1_3_2)
36191 e_2_3_4 = zetb*( c1*e_1_3_3 &
36192 +c3*e_2_3_3&
36193 +6*e_3_3_3 &
36194 -6*e_2_3_2)
36195 e_3_3_4 = zetb*( c1*e_2_3_3 &
36196 +c3*e_3_3_3&
36197 +8*e_4_3_3 &
36198 -6*e_3_3_2)
36199 e_4_3_4 = zetb*( c1*e_3_3_3 &
36200 +c3*e_4_3_3&
36201 +10*e_5_3_3 &
36202 -6*e_4_3_2)
36203 e_5_3_4 = zetb*( c1*e_4_3_3 &
36204 +c3*e_5_3_3&
36205 +12*e_6_3_3 &
36206 -6*e_5_3_2)
36207 e_6_3_4 = zetb*( c1*e_5_3_3 &
36208 +c3*e_6_3_3&
36209
36210 )
36211 e_7_3_4 = zetb*( c1*e_6_3_3 &
36212
36213
36214 )
36215 e_0_1_4 = zeta*( &
36216 +c2*e_0_0_4&
36217 +2*e_1_0_4 &
36218 )
36219 e_1_1_4 = zeta*( c1*e_0_0_4 &
36220 +c2*e_1_0_4&
36221 +4*e_2_0_4 &
36222 )
36223 e_2_1_4 = zeta*( c1*e_1_0_4 &
36224 +c2*e_2_0_4&
36225 +6*e_3_0_4 &
36226 )
36227 e_3_1_4 = zeta*( c1*e_2_0_4 &
36228 +c2*e_3_0_4&
36229 +8*e_4_0_4 &
36230 )
36231 e_4_1_4 = zeta*( c1*e_3_0_4 &
36232 +c2*e_4_0_4&
36233
36234 )
36235 e_5_1_4 = zeta*( c1*e_4_0_4 &
36236
36237
36238 )
36239 e_0_2_4 = zeta*( &
36240 +c2*e_0_1_4&
36241 +2*e_1_1_4 &
36242 -2*e_0_0_4)
36243 e_1_2_4 = zeta*( c1*e_0_1_4 &
36244 +c2*e_1_1_4&
36245 +4*e_2_1_4 &
36246 -2*e_1_0_4)
36247 e_2_2_4 = zeta*( c1*e_1_1_4 &
36248 +c2*e_2_1_4&
36249 +6*e_3_1_4 &
36250 -2*e_2_0_4)
36251 e_3_2_4 = zeta*( c1*e_2_1_4 &
36252 +c2*e_3_1_4&
36253 +8*e_4_1_4 &
36254 -2*e_3_0_4)
36255 e_4_2_4 = zeta*( c1*e_3_1_4 &
36256 +c2*e_4_1_4&
36257 +10*e_5_1_4 &
36258 -2*e_4_0_4)
36259 e_5_2_4 = zeta*( c1*e_4_1_4 &
36260 +c2*e_5_1_4&
36261
36262 )
36263 e_6_2_4 = zeta*( c1*e_5_1_4 &
36264
36265
36266 )
36267 e_0_3_4 = zeta*( &
36268 +c2*e_0_2_4&
36269 +2*e_1_2_4 &
36270 -4*e_0_1_4)
36271 e_1_3_4 = zeta*( c1*e_0_2_4 &
36272 +c2*e_1_2_4&
36273 +4*e_2_2_4 &
36274 -4*e_1_1_4)
36275 e_2_3_4 = zeta*( c1*e_1_2_4 &
36276 +c2*e_2_2_4&
36277 +6*e_3_2_4 &
36278 -4*e_2_1_4)
36279 e_3_3_4 = zeta*( c1*e_2_2_4 &
36280 +c2*e_3_2_4&
36281 +8*e_4_2_4 &
36282 -4*e_3_1_4)
36283 e_4_3_4 = zeta*( c1*e_3_2_4 &
36284 +c2*e_4_2_4&
36285 +10*e_5_2_4 &
36286 -4*e_4_1_4)
36287 e_5_3_4 = zeta*( c1*e_4_2_4 &
36288 +c2*e_5_2_4&
36289 +12*e_6_2_4 &
36290 -4*e_5_1_4)
36291 e_6_3_4 = zeta*( c1*e_5_2_4 &
36292 +c2*e_6_2_4&
36293
36294 )
36295 e_7_3_4 = zeta*( c1*e_6_2_4 &
36296
36297
36298 )
36299
36300 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
36301 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
36302 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
36303 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
36304 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
36305 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
36306 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
36307 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
36308 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
36309 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
36310 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
36311 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
36312 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
36313 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
36314 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
36315 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
36316 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
36317 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
36318 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
36319 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
36320 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
36321 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
36322 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
36323 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
36324 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
36325 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
36326 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
36327 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
36328 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
36329 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
36330 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
36331 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
36332 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
36333 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
36334 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
36335 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
36336 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
36337 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
36338 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
36339 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
36340 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
36341 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
36342 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
36343 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
36344 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
36345 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
36346 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
36347 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
36348 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
36349 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
36350 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
36351 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
36352 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
36353 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
36354 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
36355 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
36356 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
36357 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
36358 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
36359 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
36360 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
36361 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
36362 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
36363 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
36364 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
36365 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
36366 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
36367 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
36368 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
36369 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
36370 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
36371 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
36372 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
36373 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
36374 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
36375 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
36376 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
36377 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
36378 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
36379 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
36380 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
36381 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
36382 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
36383 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
36384 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
36385 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
36386 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
36387 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
36388 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
36389 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
36390 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
36391 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
36392 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
36393 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
36394 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
36395 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
36396 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
36397 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
36398 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
36399 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
36400 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
36401 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
36402 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
36403 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
36404 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
36405 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
36406 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
36407 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
36408 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
36409 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
36410 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
36411 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
36412 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
36413 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
36414 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
36415 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
36416 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
36417 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
36418 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
36419 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
36420 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
36421 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
36422 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
36423 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
36424 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
36425 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
36426 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
36427 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
36428 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
36429 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
36430 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
36431 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
36432 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
36433 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
36434 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
36435 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
36436 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
36437 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
36438 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
36439 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
36440 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
36441 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
36442 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
36443 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
36444 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
36445 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
36446 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
36447 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
36448 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
36449 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
36450 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
36451 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
36452 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
36453 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
36454 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
36455 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
36456 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
36457 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
36458 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
36459 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
36460 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
36461 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
36462 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
36463 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
36464 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
36465 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
36466 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
36467 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
36468 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
36469 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
36470 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
36471 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
36472 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
36473 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
36474 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
36475 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
36476 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
36477 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
36478 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
36479 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
36480 r1 = r1 + dr
36481 END DO
36482
36483 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
36484 END SUBROUTINE
36485 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_2_exp_0 ( &
36486 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
36487 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
36488 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
36489 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
36490 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
36491 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
36492 r_pow_t, r_tmp, rr1_delta, rr2_delta
36493
36494 REAL(kind=dp) :: c1, c2, c3
36495 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
36496 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
36497 & s_r_t2_9
36498 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
36499 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
36500 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
36501 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
36502 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
36503 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
36504 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
36505 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
36506 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
36507 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
36508 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
36509 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
36510 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
36511
36512
36513 dr = lgth
36514 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
36515
36516 s_r(:, :, :) = 0.0_dp
36517
36518 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
36519
36520 h_to_c_0_0 = sqrt(alpha/pi)
36521
36522 h_to_c_0_1 = 0.0_dp
36523 h_to_c_1_1 = +2*alpha*h_to_c_0_0
36524 h_to_c_0_2 = -1*h_to_c_1_1
36525 h_to_c_1_2 = +2*alpha*h_to_c_0_1
36526 h_to_c_2_2 = +2*alpha*h_to_c_1_1
36527 h_to_c_0_3 = -1*h_to_c_1_2
36528 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
36529 h_to_c_2_3 = +2*alpha*h_to_c_1_2
36530 h_to_c_3_3 = +2*alpha*h_to_c_2_2
36531 h_to_c_0_4 = -1*h_to_c_1_3
36532 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
36533 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
36534 h_to_c_3_4 = +2*alpha*h_to_c_2_3
36535 h_to_c_4_4 = +2*alpha*h_to_c_3_3
36536 h_to_c_0_5 = -1*h_to_c_1_4
36537 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
36538 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
36539 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
36540 h_to_c_4_5 = +2*alpha*h_to_c_3_4
36541 h_to_c_5_5 = +2*alpha*h_to_c_4_4
36542 h_to_c_0_6 = -1*h_to_c_1_5
36543 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
36544 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
36545 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
36546 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
36547 h_to_c_5_6 = +2*alpha*h_to_c_4_5
36548 h_to_c_6_6 = +2*alpha*h_to_c_5_5
36549 h_to_c_0_7 = -1*h_to_c_1_6
36550 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
36551 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
36552 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
36553 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
36554 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
36555 h_to_c_6_7 = +2*alpha*h_to_c_5_6
36556 h_to_c_7_7 = +2*alpha*h_to_c_6_6
36557 h_to_c_0_8 = -1*h_to_c_1_7
36558 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
36559 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
36560 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
36561 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
36562 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
36563 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
36564 h_to_c_7_8 = +2*alpha*h_to_c_6_7
36565 h_to_c_8_8 = +2*alpha*h_to_c_7_7
36566 h_to_c_0_9 = -1*h_to_c_1_8
36567 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
36568 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
36569 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
36570 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
36571 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
36572 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
36573 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
36574 h_to_c_8_9 = +2*alpha*h_to_c_7_8
36575 h_to_c_9_9 = +2*alpha*h_to_c_8_8
36576
36577
36578 rr1_delta = (ra - rb)/dr
36579
36580 rr1_l = ceiling(-r_c(1) + rr1_delta)
36581 rr1_r = floor(r_c(1) + rr1_delta)
36582
36583 r1 = rr1_l*dr
36584
36585 alpha_e = zeta*zetb/(zeta + zetb)
36586
36587 DO rr1 = rr1_l, rr1_r
36588 s_r_t_0 = 0.0_dp
36589 s_r_t2_0 = 0.0_dp
36590 s_r_t_1 = 0.0_dp
36591 s_r_t2_1 = 0.0_dp
36592 s_r_t_2 = 0.0_dp
36593 s_r_t2_2 = 0.0_dp
36594 s_r_t_3 = 0.0_dp
36595 s_r_t2_3 = 0.0_dp
36596 s_r_t_4 = 0.0_dp
36597 s_r_t2_4 = 0.0_dp
36598 s_r_t_5 = 0.0_dp
36599 s_r_t2_5 = 0.0_dp
36600 s_r_t_6 = 0.0_dp
36601 s_r_t2_6 = 0.0_dp
36602 s_r_t_7 = 0.0_dp
36603 s_r_t2_7 = 0.0_dp
36604 s_r_t_8 = 0.0_dp
36605 s_r_t2_8 = 0.0_dp
36606 s_r_t_9 = 0.0_dp
36607 s_r_t2_9 = 0.0_dp
36608 r_tmp = r_offset + r1*zeta/(zeta + zetb)
36609 rr2_delta = -r_tmp/dr
36610
36611 rr2_l = ceiling(-r_c(2) + rr2_delta)
36612 rr2_r = floor(r_c(2) + rr2_delta)
36613
36614 r = r_tmp + (rr2_l)*dr
36615
36616
36617 DO rr2 = rr2_l, rr2_r
36618 r_pow_t = 1.0_dp
36619 exp2_rsq = exp(-alpha*r*r)
36620 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
36621 r_pow_t = r_pow_t*r
36622 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
36623 r_pow_t = r_pow_t*r
36624 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
36625 r_pow_t = r_pow_t*r
36626 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
36627 r_pow_t = r_pow_t*r
36628 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
36629 r_pow_t = r_pow_t*r
36630 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
36631 r_pow_t = r_pow_t*r
36632 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
36633 r_pow_t = r_pow_t*r
36634 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
36635 r_pow_t = r_pow_t*r
36636 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
36637 r_pow_t = r_pow_t*r
36638 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
36639
36640 r = r + dr
36641 END DO
36642
36643 ! C --> H
36644 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
36645 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
36646 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
36647 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
36648 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
36649 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
36650 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
36651 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
36652 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
36653 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
36654 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
36655 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
36656 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
36657 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
36658 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
36659 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
36660 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
36661 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
36662 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
36663 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
36664 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
36665 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
36666 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
36667 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
36668 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
36669 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
36670 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
36671 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
36672 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
36673 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
36674 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
36675 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
36676 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
36677 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
36678 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
36679 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
36680 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
36681 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
36682 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
36683 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
36684 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
36685 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
36686 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
36687 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
36688 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
36689 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
36690 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
36691 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
36692 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
36693 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
36694 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
36695 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
36696 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
36697 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
36698 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
36699
36700 ! H --> HH
36701 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
36702
36703 c1 = 1.0_dp/(zeta + zetb)
36704 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
36705 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
36706
36707 e_0_1_0 = zeta*( &
36708 +c2*e_0_0_0&
36709
36710 )
36711 e_0_0_1 = zetb*( &
36712 +c3*e_0_0_0&
36713
36714 )
36715 e_1_1_0 = zeta*( c1*e_0_0_0 &
36716
36717
36718 )
36719 e_1_0_1 = zetb*( c1*e_0_0_0 &
36720
36721
36722 )
36723 e_0_2_0 = zeta*( &
36724 +c2*e_0_1_0&
36725 +2*e_1_1_0 &
36726 -2*e_0_0_0)
36727 e_0_1_1 = zetb*( &
36728 +c3*e_0_1_0&
36729 +2*e_1_1_0 &
36730 )
36731 e_1_2_0 = zeta*( c1*e_0_1_0 &
36732 +c2*e_1_1_0&
36733
36734 )
36735 e_1_1_1 = zetb*( c1*e_0_1_0 &
36736 +c3*e_1_1_0&
36737
36738 )
36739 e_2_2_0 = zeta*( c1*e_1_1_0 &
36740
36741
36742 )
36743 e_2_1_1 = zetb*( c1*e_1_1_0 &
36744
36745
36746 )
36747 e_0_3_0 = zeta*( &
36748 +c2*e_0_2_0&
36749 +2*e_1_2_0 &
36750 -4*e_0_1_0)
36751 e_0_2_1 = zetb*( &
36752 +c3*e_0_2_0&
36753 +2*e_1_2_0 &
36754 )
36755 e_1_3_0 = zeta*( c1*e_0_2_0 &
36756 +c2*e_1_2_0&
36757 +4*e_2_2_0 &
36758 -4*e_1_1_0)
36759 e_1_2_1 = zetb*( c1*e_0_2_0 &
36760 +c3*e_1_2_0&
36761 +4*e_2_2_0 &
36762 )
36763 e_2_3_0 = zeta*( c1*e_1_2_0 &
36764 +c2*e_2_2_0&
36765
36766 )
36767 e_2_2_1 = zetb*( c1*e_1_2_0 &
36768 +c3*e_2_2_0&
36769
36770 )
36771 e_3_3_0 = zeta*( c1*e_2_2_0 &
36772
36773
36774 )
36775 e_3_2_1 = zetb*( c1*e_2_2_0 &
36776
36777
36778 )
36779 e_0_3_1 = zetb*( &
36780 +c3*e_0_3_0&
36781 +2*e_1_3_0 &
36782 )
36783 e_1_3_1 = zetb*( c1*e_0_3_0 &
36784 +c3*e_1_3_0&
36785 +4*e_2_3_0 &
36786 )
36787 e_2_3_1 = zetb*( c1*e_1_3_0 &
36788 +c3*e_2_3_0&
36789 +6*e_3_3_0 &
36790 )
36791 e_3_3_1 = zetb*( c1*e_2_3_0 &
36792 +c3*e_3_3_0&
36793
36794 )
36795 e_4_3_1 = zetb*( c1*e_3_3_0 &
36796
36797
36798 )
36799 e_0_1_1 = zeta*( &
36800 +c2*e_0_0_1&
36801 +2*e_1_0_1 &
36802 )
36803 e_0_0_2 = zetb*( &
36804 +c3*e_0_0_1&
36805 +2*e_1_0_1 &
36806 -2*e_0_0_0)
36807 e_1_1_1 = zeta*( c1*e_0_0_1 &
36808 +c2*e_1_0_1&
36809
36810 )
36811 e_1_0_2 = zetb*( c1*e_0_0_1 &
36812 +c3*e_1_0_1&
36813
36814 )
36815 e_2_1_1 = zeta*( c1*e_1_0_1 &
36816
36817
36818 )
36819 e_2_0_2 = zetb*( c1*e_1_0_1 &
36820
36821
36822 )
36823 e_0_2_1 = zeta*( &
36824 +c2*e_0_1_1&
36825 +2*e_1_1_1 &
36826 -2*e_0_0_1)
36827 e_0_1_2 = zetb*( &
36828 +c3*e_0_1_1&
36829 +2*e_1_1_1 &
36830 -2*e_0_1_0)
36831 e_1_2_1 = zeta*( c1*e_0_1_1 &
36832 +c2*e_1_1_1&
36833 +4*e_2_1_1 &
36834 -2*e_1_0_1)
36835 e_1_1_2 = zetb*( c1*e_0_1_1 &
36836 +c3*e_1_1_1&
36837 +4*e_2_1_1 &
36838 -2*e_1_1_0)
36839 e_2_2_1 = zeta*( c1*e_1_1_1 &
36840 +c2*e_2_1_1&
36841
36842 )
36843 e_2_1_2 = zetb*( c1*e_1_1_1 &
36844 +c3*e_2_1_1&
36845
36846 )
36847 e_3_2_1 = zeta*( c1*e_2_1_1 &
36848
36849
36850 )
36851 e_3_1_2 = zetb*( c1*e_2_1_1 &
36852
36853
36854 )
36855 e_0_3_1 = zeta*( &
36856 +c2*e_0_2_1&
36857 +2*e_1_2_1 &
36858 -4*e_0_1_1)
36859 e_0_2_2 = zetb*( &
36860 +c3*e_0_2_1&
36861 +2*e_1_2_1 &
36862 -2*e_0_2_0)
36863 e_1_3_1 = zeta*( c1*e_0_2_1 &
36864 +c2*e_1_2_1&
36865 +4*e_2_2_1 &
36866 -4*e_1_1_1)
36867 e_1_2_2 = zetb*( c1*e_0_2_1 &
36868 +c3*e_1_2_1&
36869 +4*e_2_2_1 &
36870 -2*e_1_2_0)
36871 e_2_3_1 = zeta*( c1*e_1_2_1 &
36872 +c2*e_2_2_1&
36873 +6*e_3_2_1 &
36874 -4*e_2_1_1)
36875 e_2_2_2 = zetb*( c1*e_1_2_1 &
36876 +c3*e_2_2_1&
36877 +6*e_3_2_1 &
36878 -2*e_2_2_0)
36879 e_3_3_1 = zeta*( c1*e_2_2_1 &
36880 +c2*e_3_2_1&
36881
36882 )
36883 e_3_2_2 = zetb*( c1*e_2_2_1 &
36884 +c3*e_3_2_1&
36885
36886 )
36887 e_4_3_1 = zeta*( c1*e_3_2_1 &
36888
36889
36890 )
36891 e_4_2_2 = zetb*( c1*e_3_2_1 &
36892
36893
36894 )
36895 e_0_3_2 = zetb*( &
36896 +c3*e_0_3_1&
36897 +2*e_1_3_1 &
36898 -2*e_0_3_0)
36899 e_1_3_2 = zetb*( c1*e_0_3_1 &
36900 +c3*e_1_3_1&
36901 +4*e_2_3_1 &
36902 -2*e_1_3_0)
36903 e_2_3_2 = zetb*( c1*e_1_3_1 &
36904 +c3*e_2_3_1&
36905 +6*e_3_3_1 &
36906 -2*e_2_3_0)
36907 e_3_3_2 = zetb*( c1*e_2_3_1 &
36908 +c3*e_3_3_1&
36909 +8*e_4_3_1 &
36910 -2*e_3_3_0)
36911 e_4_3_2 = zetb*( c1*e_3_3_1 &
36912 +c3*e_4_3_1&
36913
36914 )
36915 e_5_3_2 = zetb*( c1*e_4_3_1 &
36916
36917
36918 )
36919 e_0_1_2 = zeta*( &
36920 +c2*e_0_0_2&
36921 +2*e_1_0_2 &
36922 )
36923 e_0_0_3 = zetb*( &
36924 +c3*e_0_0_2&
36925 +2*e_1_0_2 &
36926 -4*e_0_0_1)
36927 e_1_1_2 = zeta*( c1*e_0_0_2 &
36928 +c2*e_1_0_2&
36929 +4*e_2_0_2 &
36930 )
36931 e_1_0_3 = zetb*( c1*e_0_0_2 &
36932 +c3*e_1_0_2&
36933 +4*e_2_0_2 &
36934 -4*e_1_0_1)
36935 e_2_1_2 = zeta*( c1*e_1_0_2 &
36936 +c2*e_2_0_2&
36937
36938 )
36939 e_2_0_3 = zetb*( c1*e_1_0_2 &
36940 +c3*e_2_0_2&
36941
36942 )
36943 e_3_1_2 = zeta*( c1*e_2_0_2 &
36944
36945
36946 )
36947 e_3_0_3 = zetb*( c1*e_2_0_2 &
36948
36949
36950 )
36951 e_0_2_2 = zeta*( &
36952 +c2*e_0_1_2&
36953 +2*e_1_1_2 &
36954 -2*e_0_0_2)
36955 e_0_1_3 = zetb*( &
36956 +c3*e_0_1_2&
36957 +2*e_1_1_2 &
36958 -4*e_0_1_1)
36959 e_1_2_2 = zeta*( c1*e_0_1_2 &
36960 +c2*e_1_1_2&
36961 +4*e_2_1_2 &
36962 -2*e_1_0_2)
36963 e_1_1_3 = zetb*( c1*e_0_1_2 &
36964 +c3*e_1_1_2&
36965 +4*e_2_1_2 &
36966 -4*e_1_1_1)
36967 e_2_2_2 = zeta*( c1*e_1_1_2 &
36968 +c2*e_2_1_2&
36969 +6*e_3_1_2 &
36970 -2*e_2_0_2)
36971 e_2_1_3 = zetb*( c1*e_1_1_2 &
36972 +c3*e_2_1_2&
36973 +6*e_3_1_2 &
36974 -4*e_2_1_1)
36975 e_3_2_2 = zeta*( c1*e_2_1_2 &
36976 +c2*e_3_1_2&
36977
36978 )
36979 e_3_1_3 = zetb*( c1*e_2_1_2 &
36980 +c3*e_3_1_2&
36981
36982 )
36983 e_4_2_2 = zeta*( c1*e_3_1_2 &
36984
36985
36986 )
36987 e_4_1_3 = zetb*( c1*e_3_1_2 &
36988
36989
36990 )
36991 e_0_3_2 = zeta*( &
36992 +c2*e_0_2_2&
36993 +2*e_1_2_2 &
36994 -4*e_0_1_2)
36995 e_0_2_3 = zetb*( &
36996 +c3*e_0_2_2&
36997 +2*e_1_2_2 &
36998 -4*e_0_2_1)
36999 e_1_3_2 = zeta*( c1*e_0_2_2 &
37000 +c2*e_1_2_2&
37001 +4*e_2_2_2 &
37002 -4*e_1_1_2)
37003 e_1_2_3 = zetb*( c1*e_0_2_2 &
37004 +c3*e_1_2_2&
37005 +4*e_2_2_2 &
37006 -4*e_1_2_1)
37007 e_2_3_2 = zeta*( c1*e_1_2_2 &
37008 +c2*e_2_2_2&
37009 +6*e_3_2_2 &
37010 -4*e_2_1_2)
37011 e_2_2_3 = zetb*( c1*e_1_2_2 &
37012 +c3*e_2_2_2&
37013 +6*e_3_2_2 &
37014 -4*e_2_2_1)
37015 e_3_3_2 = zeta*( c1*e_2_2_2 &
37016 +c2*e_3_2_2&
37017 +8*e_4_2_2 &
37018 -4*e_3_1_2)
37019 e_3_2_3 = zetb*( c1*e_2_2_2 &
37020 +c3*e_3_2_2&
37021 +8*e_4_2_2 &
37022 -4*e_3_2_1)
37023 e_4_3_2 = zeta*( c1*e_3_2_2 &
37024 +c2*e_4_2_2&
37025
37026 )
37027 e_4_2_3 = zetb*( c1*e_3_2_2 &
37028 +c3*e_4_2_2&
37029
37030 )
37031 e_5_3_2 = zeta*( c1*e_4_2_2 &
37032
37033
37034 )
37035 e_5_2_3 = zetb*( c1*e_4_2_2 &
37036
37037
37038 )
37039 e_0_3_3 = zetb*( &
37040 +c3*e_0_3_2&
37041 +2*e_1_3_2 &
37042 -4*e_0_3_1)
37043 e_1_3_3 = zetb*( c1*e_0_3_2 &
37044 +c3*e_1_3_2&
37045 +4*e_2_3_2 &
37046 -4*e_1_3_1)
37047 e_2_3_3 = zetb*( c1*e_1_3_2 &
37048 +c3*e_2_3_2&
37049 +6*e_3_3_2 &
37050 -4*e_2_3_1)
37051 e_3_3_3 = zetb*( c1*e_2_3_2 &
37052 +c3*e_3_3_2&
37053 +8*e_4_3_2 &
37054 -4*e_3_3_1)
37055 e_4_3_3 = zetb*( c1*e_3_3_2 &
37056 +c3*e_4_3_2&
37057 +10*e_5_3_2 &
37058 -4*e_4_3_1)
37059 e_5_3_3 = zetb*( c1*e_4_3_2 &
37060 +c3*e_5_3_2&
37061
37062 )
37063 e_6_3_3 = zetb*( c1*e_5_3_2 &
37064
37065
37066 )
37067 e_0_1_3 = zeta*( &
37068 +c2*e_0_0_3&
37069 +2*e_1_0_3 &
37070 )
37071 e_0_0_4 = zetb*( &
37072 +c3*e_0_0_3&
37073 +2*e_1_0_3 &
37074 -6*e_0_0_2)
37075 e_1_1_3 = zeta*( c1*e_0_0_3 &
37076 +c2*e_1_0_3&
37077 +4*e_2_0_3 &
37078 )
37079 e_1_0_4 = zetb*( c1*e_0_0_3 &
37080 +c3*e_1_0_3&
37081 +4*e_2_0_3 &
37082 -6*e_1_0_2)
37083 e_2_1_3 = zeta*( c1*e_1_0_3 &
37084 +c2*e_2_0_3&
37085 +6*e_3_0_3 &
37086 )
37087 e_2_0_4 = zetb*( c1*e_1_0_3 &
37088 +c3*e_2_0_3&
37089 +6*e_3_0_3 &
37090 -6*e_2_0_2)
37091 e_3_1_3 = zeta*( c1*e_2_0_3 &
37092 +c2*e_3_0_3&
37093
37094 )
37095 e_3_0_4 = zetb*( c1*e_2_0_3 &
37096 +c3*e_3_0_3&
37097
37098 )
37099 e_4_1_3 = zeta*( c1*e_3_0_3 &
37100
37101
37102 )
37103 e_4_0_4 = zetb*( c1*e_3_0_3 &
37104
37105
37106 )
37107 e_0_2_3 = zeta*( &
37108 +c2*e_0_1_3&
37109 +2*e_1_1_3 &
37110 -2*e_0_0_3)
37111 e_0_1_4 = zetb*( &
37112 +c3*e_0_1_3&
37113 +2*e_1_1_3 &
37114 -6*e_0_1_2)
37115 e_1_2_3 = zeta*( c1*e_0_1_3 &
37116 +c2*e_1_1_3&
37117 +4*e_2_1_3 &
37118 -2*e_1_0_3)
37119 e_1_1_4 = zetb*( c1*e_0_1_3 &
37120 +c3*e_1_1_3&
37121 +4*e_2_1_3 &
37122 -6*e_1_1_2)
37123 e_2_2_3 = zeta*( c1*e_1_1_3 &
37124 +c2*e_2_1_3&
37125 +6*e_3_1_3 &
37126 -2*e_2_0_3)
37127 e_2_1_4 = zetb*( c1*e_1_1_3 &
37128 +c3*e_2_1_3&
37129 +6*e_3_1_3 &
37130 -6*e_2_1_2)
37131 e_3_2_3 = zeta*( c1*e_2_1_3 &
37132 +c2*e_3_1_3&
37133 +8*e_4_1_3 &
37134 -2*e_3_0_3)
37135 e_3_1_4 = zetb*( c1*e_2_1_3 &
37136 +c3*e_3_1_3&
37137 +8*e_4_1_3 &
37138 -6*e_3_1_2)
37139 e_4_2_3 = zeta*( c1*e_3_1_3 &
37140 +c2*e_4_1_3&
37141
37142 )
37143 e_4_1_4 = zetb*( c1*e_3_1_3 &
37144 +c3*e_4_1_3&
37145
37146 )
37147 e_5_2_3 = zeta*( c1*e_4_1_3 &
37148
37149
37150 )
37151 e_5_1_4 = zetb*( c1*e_4_1_3 &
37152
37153
37154 )
37155 e_0_3_3 = zeta*( &
37156 +c2*e_0_2_3&
37157 +2*e_1_2_3 &
37158 -4*e_0_1_3)
37159 e_0_2_4 = zetb*( &
37160 +c3*e_0_2_3&
37161 +2*e_1_2_3 &
37162 -6*e_0_2_2)
37163 e_1_3_3 = zeta*( c1*e_0_2_3 &
37164 +c2*e_1_2_3&
37165 +4*e_2_2_3 &
37166 -4*e_1_1_3)
37167 e_1_2_4 = zetb*( c1*e_0_2_3 &
37168 +c3*e_1_2_3&
37169 +4*e_2_2_3 &
37170 -6*e_1_2_2)
37171 e_2_3_3 = zeta*( c1*e_1_2_3 &
37172 +c2*e_2_2_3&
37173 +6*e_3_2_3 &
37174 -4*e_2_1_3)
37175 e_2_2_4 = zetb*( c1*e_1_2_3 &
37176 +c3*e_2_2_3&
37177 +6*e_3_2_3 &
37178 -6*e_2_2_2)
37179 e_3_3_3 = zeta*( c1*e_2_2_3 &
37180 +c2*e_3_2_3&
37181 +8*e_4_2_3 &
37182 -4*e_3_1_3)
37183 e_3_2_4 = zetb*( c1*e_2_2_3 &
37184 +c3*e_3_2_3&
37185 +8*e_4_2_3 &
37186 -6*e_3_2_2)
37187 e_4_3_3 = zeta*( c1*e_3_2_3 &
37188 +c2*e_4_2_3&
37189 +10*e_5_2_3 &
37190 -4*e_4_1_3)
37191 e_4_2_4 = zetb*( c1*e_3_2_3 &
37192 +c3*e_4_2_3&
37193 +10*e_5_2_3 &
37194 -6*e_4_2_2)
37195 e_5_3_3 = zeta*( c1*e_4_2_3 &
37196 +c2*e_5_2_3&
37197
37198 )
37199 e_5_2_4 = zetb*( c1*e_4_2_3 &
37200 +c3*e_5_2_3&
37201
37202 )
37203 e_6_3_3 = zeta*( c1*e_5_2_3 &
37204
37205
37206 )
37207 e_6_2_4 = zetb*( c1*e_5_2_3 &
37208
37209
37210 )
37211 e_0_3_4 = zetb*( &
37212 +c3*e_0_3_3&
37213 +2*e_1_3_3 &
37214 -6*e_0_3_2)
37215 e_1_3_4 = zetb*( c1*e_0_3_3 &
37216 +c3*e_1_3_3&
37217 +4*e_2_3_3 &
37218 -6*e_1_3_2)
37219 e_2_3_4 = zetb*( c1*e_1_3_3 &
37220 +c3*e_2_3_3&
37221 +6*e_3_3_3 &
37222 -6*e_2_3_2)
37223 e_3_3_4 = zetb*( c1*e_2_3_3 &
37224 +c3*e_3_3_3&
37225 +8*e_4_3_3 &
37226 -6*e_3_3_2)
37227 e_4_3_4 = zetb*( c1*e_3_3_3 &
37228 +c3*e_4_3_3&
37229 +10*e_5_3_3 &
37230 -6*e_4_3_2)
37231 e_5_3_4 = zetb*( c1*e_4_3_3 &
37232 +c3*e_5_3_3&
37233 +12*e_6_3_3 &
37234 -6*e_5_3_2)
37235 e_6_3_4 = zetb*( c1*e_5_3_3 &
37236 +c3*e_6_3_3&
37237
37238 )
37239 e_7_3_4 = zetb*( c1*e_6_3_3 &
37240
37241
37242 )
37243 e_0_1_4 = zeta*( &
37244 +c2*e_0_0_4&
37245 +2*e_1_0_4 &
37246 )
37247 e_1_1_4 = zeta*( c1*e_0_0_4 &
37248 +c2*e_1_0_4&
37249 +4*e_2_0_4 &
37250 )
37251 e_2_1_4 = zeta*( c1*e_1_0_4 &
37252 +c2*e_2_0_4&
37253 +6*e_3_0_4 &
37254 )
37255 e_3_1_4 = zeta*( c1*e_2_0_4 &
37256 +c2*e_3_0_4&
37257 +8*e_4_0_4 &
37258 )
37259 e_4_1_4 = zeta*( c1*e_3_0_4 &
37260 +c2*e_4_0_4&
37261
37262 )
37263 e_5_1_4 = zeta*( c1*e_4_0_4 &
37264
37265
37266 )
37267 e_0_2_4 = zeta*( &
37268 +c2*e_0_1_4&
37269 +2*e_1_1_4 &
37270 -2*e_0_0_4)
37271 e_1_2_4 = zeta*( c1*e_0_1_4 &
37272 +c2*e_1_1_4&
37273 +4*e_2_1_4 &
37274 -2*e_1_0_4)
37275 e_2_2_4 = zeta*( c1*e_1_1_4 &
37276 +c2*e_2_1_4&
37277 +6*e_3_1_4 &
37278 -2*e_2_0_4)
37279 e_3_2_4 = zeta*( c1*e_2_1_4 &
37280 +c2*e_3_1_4&
37281 +8*e_4_1_4 &
37282 -2*e_3_0_4)
37283 e_4_2_4 = zeta*( c1*e_3_1_4 &
37284 +c2*e_4_1_4&
37285 +10*e_5_1_4 &
37286 -2*e_4_0_4)
37287 e_5_2_4 = zeta*( c1*e_4_1_4 &
37288 +c2*e_5_1_4&
37289
37290 )
37291 e_6_2_4 = zeta*( c1*e_5_1_4 &
37292
37293
37294 )
37295 e_0_3_4 = zeta*( &
37296 +c2*e_0_2_4&
37297 +2*e_1_2_4 &
37298 -4*e_0_1_4)
37299 e_1_3_4 = zeta*( c1*e_0_2_4 &
37300 +c2*e_1_2_4&
37301 +4*e_2_2_4 &
37302 -4*e_1_1_4)
37303 e_2_3_4 = zeta*( c1*e_1_2_4 &
37304 +c2*e_2_2_4&
37305 +6*e_3_2_4 &
37306 -4*e_2_1_4)
37307 e_3_3_4 = zeta*( c1*e_2_2_4 &
37308 +c2*e_3_2_4&
37309 +8*e_4_2_4 &
37310 -4*e_3_1_4)
37311 e_4_3_4 = zeta*( c1*e_3_2_4 &
37312 +c2*e_4_2_4&
37313 +10*e_5_2_4 &
37314 -4*e_4_1_4)
37315 e_5_3_4 = zeta*( c1*e_4_2_4 &
37316 +c2*e_5_2_4&
37317 +12*e_6_2_4 &
37318 -4*e_5_1_4)
37319 e_6_3_4 = zeta*( c1*e_5_2_4 &
37320 +c2*e_6_2_4&
37321
37322 )
37323 e_7_3_4 = zeta*( c1*e_6_2_4 &
37324
37325
37326 )
37327
37328 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
37329 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
37330 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
37331 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
37332 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
37333 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
37334 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
37335 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
37336 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
37337 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
37338 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
37339 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
37340 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
37341 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
37342 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
37343 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
37344 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
37345 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
37346 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
37347 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
37348 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
37349 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
37350 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
37351 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
37352 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
37353 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
37354 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
37355 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
37356 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
37357 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
37358 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
37359 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
37360 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
37361 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
37362 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
37363 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
37364 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
37365 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
37366 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
37367 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
37368 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
37369 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
37370 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
37371 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
37372 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
37373 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
37374 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
37375 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
37376 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
37377 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
37378 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
37379 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
37380 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
37381 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
37382 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
37383 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
37384 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
37385 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
37386 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
37387 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
37388 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
37389 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
37390 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
37391 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
37392 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
37393 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
37394 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
37395 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
37396 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
37397 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
37398 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
37399 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
37400 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
37401 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
37402 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
37403 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
37404 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
37405 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
37406 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
37407 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
37408 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
37409 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
37410 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
37411 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
37412 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
37413 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
37414 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
37415 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
37416 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
37417 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
37418 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
37419 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
37420 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
37421 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
37422 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
37423 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
37424 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
37425 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
37426 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
37427 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
37428 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
37429 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
37430 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
37431 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
37432 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
37433 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
37434 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
37435 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
37436 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
37437 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
37438 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
37439 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
37440 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
37441 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
37442 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
37443 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
37444 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
37445 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
37446 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
37447 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
37448 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
37449 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
37450 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
37451 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
37452 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
37453 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
37454 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
37455 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
37456 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
37457 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
37458 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
37459 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
37460 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
37461 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
37462 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
37463 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
37464 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
37465 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
37466 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
37467 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
37468 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
37469 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
37470 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
37471 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
37472 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
37473 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
37474 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
37475 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
37476 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
37477 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
37478 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
37479 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
37480 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
37481 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
37482 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
37483 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
37484 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
37485 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
37486 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
37487 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
37488 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
37489 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
37490 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
37491 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
37492 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
37493 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
37494 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
37495 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
37496 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
37497 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
37498 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
37499 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
37500 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
37501 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
37502 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
37503 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
37504 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
37505 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
37506 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
37507 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
37508 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
37509 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
37510 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
37511 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
37512 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
37513 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
37514 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
37515 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
37516 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
37517 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
37518 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
37519 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
37520 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
37521 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
37522 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
37523 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
37524 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
37525 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
37526 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
37527 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
37528 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
37529 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
37530 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
37531 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
37532 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
37533 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
37534 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
37535 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
37536 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
37537 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
37538 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
37539 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
37540 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
37541 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
37542 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
37543 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
37544 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
37545 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
37546 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
37547 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
37548 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
37549 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
37550 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
37551 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
37552 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
37553 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
37554 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
37555 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
37556 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
37557 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
37558 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
37559 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
37560 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
37561 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
37562 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
37563 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
37564 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
37565 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
37566 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
37567 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
37568 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
37569 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
37570 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
37571 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
37572 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
37573 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
37574 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
37575 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
37576 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
37577 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
37578 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
37579 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
37580 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
37581 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
37582 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
37583 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
37584 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
37585 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
37586 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
37587 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
37588 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
37589 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
37590 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
37591 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
37592 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
37593 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
37594 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
37595 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
37596 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
37597 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
37598 r1 = r1 + dr
37599 END DO
37600
37601 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
37602 END SUBROUTINE
37603 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_3_exp_0 ( &
37604 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
37605 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
37606 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
37607 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
37608 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
37609 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
37610 r_pow_t, r_tmp, rr1_delta, rr2_delta
37611
37612 REAL(kind=dp) :: c1, c2, c3
37613 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
37614 & s_r_t_10
37615 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
37616 & s_r_t2_9, s_r_t2_10
37617 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
37618 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
37619 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
37620 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
37621 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
37622 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
37623 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
37624 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
37625 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
37626 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
37627 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
37628 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
37629 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
37630 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
37631
37632
37633 dr = lgth
37634 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
37635
37636 s_r(:, :, :) = 0.0_dp
37637
37638 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
37639
37640 h_to_c_0_0 = sqrt(alpha/pi)
37641
37642 h_to_c_0_1 = 0.0_dp
37643 h_to_c_1_1 = +2*alpha*h_to_c_0_0
37644 h_to_c_0_2 = -1*h_to_c_1_1
37645 h_to_c_1_2 = +2*alpha*h_to_c_0_1
37646 h_to_c_2_2 = +2*alpha*h_to_c_1_1
37647 h_to_c_0_3 = -1*h_to_c_1_2
37648 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
37649 h_to_c_2_3 = +2*alpha*h_to_c_1_2
37650 h_to_c_3_3 = +2*alpha*h_to_c_2_2
37651 h_to_c_0_4 = -1*h_to_c_1_3
37652 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
37653 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
37654 h_to_c_3_4 = +2*alpha*h_to_c_2_3
37655 h_to_c_4_4 = +2*alpha*h_to_c_3_3
37656 h_to_c_0_5 = -1*h_to_c_1_4
37657 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
37658 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
37659 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
37660 h_to_c_4_5 = +2*alpha*h_to_c_3_4
37661 h_to_c_5_5 = +2*alpha*h_to_c_4_4
37662 h_to_c_0_6 = -1*h_to_c_1_5
37663 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
37664 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
37665 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
37666 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
37667 h_to_c_5_6 = +2*alpha*h_to_c_4_5
37668 h_to_c_6_6 = +2*alpha*h_to_c_5_5
37669 h_to_c_0_7 = -1*h_to_c_1_6
37670 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
37671 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
37672 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
37673 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
37674 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
37675 h_to_c_6_7 = +2*alpha*h_to_c_5_6
37676 h_to_c_7_7 = +2*alpha*h_to_c_6_6
37677 h_to_c_0_8 = -1*h_to_c_1_7
37678 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
37679 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
37680 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
37681 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
37682 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
37683 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
37684 h_to_c_7_8 = +2*alpha*h_to_c_6_7
37685 h_to_c_8_8 = +2*alpha*h_to_c_7_7
37686 h_to_c_0_9 = -1*h_to_c_1_8
37687 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
37688 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
37689 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
37690 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
37691 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
37692 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
37693 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
37694 h_to_c_8_9 = +2*alpha*h_to_c_7_8
37695 h_to_c_9_9 = +2*alpha*h_to_c_8_8
37696 h_to_c_0_10 = -1*h_to_c_1_9
37697 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
37698 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
37699 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
37700 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
37701 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
37702 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
37703 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
37704 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
37705 h_to_c_9_10 = +2*alpha*h_to_c_8_9
37706 h_to_c_10_10 = +2*alpha*h_to_c_9_9
37707
37708
37709 rr1_delta = (ra - rb)/dr
37710
37711 rr1_l = ceiling(-r_c(1) + rr1_delta)
37712 rr1_r = floor(r_c(1) + rr1_delta)
37713
37714 r1 = rr1_l*dr
37715
37716 alpha_e = zeta*zetb/(zeta + zetb)
37717
37718 DO rr1 = rr1_l, rr1_r
37719 s_r_t_0 = 0.0_dp
37720 s_r_t2_0 = 0.0_dp
37721 s_r_t_1 = 0.0_dp
37722 s_r_t2_1 = 0.0_dp
37723 s_r_t_2 = 0.0_dp
37724 s_r_t2_2 = 0.0_dp
37725 s_r_t_3 = 0.0_dp
37726 s_r_t2_3 = 0.0_dp
37727 s_r_t_4 = 0.0_dp
37728 s_r_t2_4 = 0.0_dp
37729 s_r_t_5 = 0.0_dp
37730 s_r_t2_5 = 0.0_dp
37731 s_r_t_6 = 0.0_dp
37732 s_r_t2_6 = 0.0_dp
37733 s_r_t_7 = 0.0_dp
37734 s_r_t2_7 = 0.0_dp
37735 s_r_t_8 = 0.0_dp
37736 s_r_t2_8 = 0.0_dp
37737 s_r_t_9 = 0.0_dp
37738 s_r_t2_9 = 0.0_dp
37739 s_r_t_10 = 0.0_dp
37740 s_r_t2_10 = 0.0_dp
37741 r_tmp = r_offset + r1*zeta/(zeta + zetb)
37742 rr2_delta = -r_tmp/dr
37743
37744 rr2_l = ceiling(-r_c(2) + rr2_delta)
37745 rr2_r = floor(r_c(2) + rr2_delta)
37746
37747 r = r_tmp + (rr2_l)*dr
37748
37749
37750 DO rr2 = rr2_l, rr2_r
37751 r_pow_t = 1.0_dp
37752 exp2_rsq = exp(-alpha*r*r)
37753 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
37754 r_pow_t = r_pow_t*r
37755 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
37756 r_pow_t = r_pow_t*r
37757 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
37758 r_pow_t = r_pow_t*r
37759 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
37760 r_pow_t = r_pow_t*r
37761 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
37762 r_pow_t = r_pow_t*r
37763 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
37764 r_pow_t = r_pow_t*r
37765 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
37766 r_pow_t = r_pow_t*r
37767 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
37768 r_pow_t = r_pow_t*r
37769 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
37770 r_pow_t = r_pow_t*r
37771 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
37772 r_pow_t = r_pow_t*r
37773 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
37774
37775 r = r + dr
37776 END DO
37777
37778 ! C --> H
37779 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
37780 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
37781 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
37782 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
37783 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
37784 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
37785 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
37786 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
37787 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
37788 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
37789 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
37790 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
37791 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
37792 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
37793 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
37794 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
37795 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
37796 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
37797 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
37798 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
37799 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
37800 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
37801 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
37802 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
37803 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
37804 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
37805 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
37806 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
37807 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
37808 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
37809 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
37810 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
37811 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
37812 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
37813 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
37814 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
37815 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
37816 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
37817 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
37818 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
37819 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
37820 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
37821 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
37822 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
37823 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
37824 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
37825 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
37826 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
37827 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
37828 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
37829 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
37830 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
37831 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
37832 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
37833 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
37834 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
37835 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
37836 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
37837 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
37838 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
37839 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
37840 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
37841 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
37842 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
37843 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
37844 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
37845
37846 ! H --> HH
37847 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
37848
37849 c1 = 1.0_dp/(zeta + zetb)
37850 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
37851 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
37852
37853 e_0_1_0 = zeta*( &
37854 +c2*e_0_0_0&
37855
37856 )
37857 e_0_0_1 = zetb*( &
37858 +c3*e_0_0_0&
37859
37860 )
37861 e_1_1_0 = zeta*( c1*e_0_0_0 &
37862
37863
37864 )
37865 e_1_0_1 = zetb*( c1*e_0_0_0 &
37866
37867
37868 )
37869 e_0_2_0 = zeta*( &
37870 +c2*e_0_1_0&
37871 +2*e_1_1_0 &
37872 -2*e_0_0_0)
37873 e_0_1_1 = zetb*( &
37874 +c3*e_0_1_0&
37875 +2*e_1_1_0 &
37876 )
37877 e_1_2_0 = zeta*( c1*e_0_1_0 &
37878 +c2*e_1_1_0&
37879
37880 )
37881 e_1_1_1 = zetb*( c1*e_0_1_0 &
37882 +c3*e_1_1_0&
37883
37884 )
37885 e_2_2_0 = zeta*( c1*e_1_1_0 &
37886
37887
37888 )
37889 e_2_1_1 = zetb*( c1*e_1_1_0 &
37890
37891
37892 )
37893 e_0_3_0 = zeta*( &
37894 +c2*e_0_2_0&
37895 +2*e_1_2_0 &
37896 -4*e_0_1_0)
37897 e_0_2_1 = zetb*( &
37898 +c3*e_0_2_0&
37899 +2*e_1_2_0 &
37900 )
37901 e_1_3_0 = zeta*( c1*e_0_2_0 &
37902 +c2*e_1_2_0&
37903 +4*e_2_2_0 &
37904 -4*e_1_1_0)
37905 e_1_2_1 = zetb*( c1*e_0_2_0 &
37906 +c3*e_1_2_0&
37907 +4*e_2_2_0 &
37908 )
37909 e_2_3_0 = zeta*( c1*e_1_2_0 &
37910 +c2*e_2_2_0&
37911
37912 )
37913 e_2_2_1 = zetb*( c1*e_1_2_0 &
37914 +c3*e_2_2_0&
37915
37916 )
37917 e_3_3_0 = zeta*( c1*e_2_2_0 &
37918
37919
37920 )
37921 e_3_2_1 = zetb*( c1*e_2_2_0 &
37922
37923
37924 )
37925 e_0_3_1 = zetb*( &
37926 +c3*e_0_3_0&
37927 +2*e_1_3_0 &
37928 )
37929 e_1_3_1 = zetb*( c1*e_0_3_0 &
37930 +c3*e_1_3_0&
37931 +4*e_2_3_0 &
37932 )
37933 e_2_3_1 = zetb*( c1*e_1_3_0 &
37934 +c3*e_2_3_0&
37935 +6*e_3_3_0 &
37936 )
37937 e_3_3_1 = zetb*( c1*e_2_3_0 &
37938 +c3*e_3_3_0&
37939
37940 )
37941 e_4_3_1 = zetb*( c1*e_3_3_0 &
37942
37943
37944 )
37945 e_0_1_1 = zeta*( &
37946 +c2*e_0_0_1&
37947 +2*e_1_0_1 &
37948 )
37949 e_0_0_2 = zetb*( &
37950 +c3*e_0_0_1&
37951 +2*e_1_0_1 &
37952 -2*e_0_0_0)
37953 e_1_1_1 = zeta*( c1*e_0_0_1 &
37954 +c2*e_1_0_1&
37955
37956 )
37957 e_1_0_2 = zetb*( c1*e_0_0_1 &
37958 +c3*e_1_0_1&
37959
37960 )
37961 e_2_1_1 = zeta*( c1*e_1_0_1 &
37962
37963
37964 )
37965 e_2_0_2 = zetb*( c1*e_1_0_1 &
37966
37967
37968 )
37969 e_0_2_1 = zeta*( &
37970 +c2*e_0_1_1&
37971 +2*e_1_1_1 &
37972 -2*e_0_0_1)
37973 e_0_1_2 = zetb*( &
37974 +c3*e_0_1_1&
37975 +2*e_1_1_1 &
37976 -2*e_0_1_0)
37977 e_1_2_1 = zeta*( c1*e_0_1_1 &
37978 +c2*e_1_1_1&
37979 +4*e_2_1_1 &
37980 -2*e_1_0_1)
37981 e_1_1_2 = zetb*( c1*e_0_1_1 &
37982 +c3*e_1_1_1&
37983 +4*e_2_1_1 &
37984 -2*e_1_1_0)
37985 e_2_2_1 = zeta*( c1*e_1_1_1 &
37986 +c2*e_2_1_1&
37987
37988 )
37989 e_2_1_2 = zetb*( c1*e_1_1_1 &
37990 +c3*e_2_1_1&
37991
37992 )
37993 e_3_2_1 = zeta*( c1*e_2_1_1 &
37994
37995
37996 )
37997 e_3_1_2 = zetb*( c1*e_2_1_1 &
37998
37999
38000 )
38001 e_0_3_1 = zeta*( &
38002 +c2*e_0_2_1&
38003 +2*e_1_2_1 &
38004 -4*e_0_1_1)
38005 e_0_2_2 = zetb*( &
38006 +c3*e_0_2_1&
38007 +2*e_1_2_1 &
38008 -2*e_0_2_0)
38009 e_1_3_1 = zeta*( c1*e_0_2_1 &
38010 +c2*e_1_2_1&
38011 +4*e_2_2_1 &
38012 -4*e_1_1_1)
38013 e_1_2_2 = zetb*( c1*e_0_2_1 &
38014 +c3*e_1_2_1&
38015 +4*e_2_2_1 &
38016 -2*e_1_2_0)
38017 e_2_3_1 = zeta*( c1*e_1_2_1 &
38018 +c2*e_2_2_1&
38019 +6*e_3_2_1 &
38020 -4*e_2_1_1)
38021 e_2_2_2 = zetb*( c1*e_1_2_1 &
38022 +c3*e_2_2_1&
38023 +6*e_3_2_1 &
38024 -2*e_2_2_0)
38025 e_3_3_1 = zeta*( c1*e_2_2_1 &
38026 +c2*e_3_2_1&
38027
38028 )
38029 e_3_2_2 = zetb*( c1*e_2_2_1 &
38030 +c3*e_3_2_1&
38031
38032 )
38033 e_4_3_1 = zeta*( c1*e_3_2_1 &
38034
38035
38036 )
38037 e_4_2_2 = zetb*( c1*e_3_2_1 &
38038
38039
38040 )
38041 e_0_3_2 = zetb*( &
38042 +c3*e_0_3_1&
38043 +2*e_1_3_1 &
38044 -2*e_0_3_0)
38045 e_1_3_2 = zetb*( c1*e_0_3_1 &
38046 +c3*e_1_3_1&
38047 +4*e_2_3_1 &
38048 -2*e_1_3_0)
38049 e_2_3_2 = zetb*( c1*e_1_3_1 &
38050 +c3*e_2_3_1&
38051 +6*e_3_3_1 &
38052 -2*e_2_3_0)
38053 e_3_3_2 = zetb*( c1*e_2_3_1 &
38054 +c3*e_3_3_1&
38055 +8*e_4_3_1 &
38056 -2*e_3_3_0)
38057 e_4_3_2 = zetb*( c1*e_3_3_1 &
38058 +c3*e_4_3_1&
38059
38060 )
38061 e_5_3_2 = zetb*( c1*e_4_3_1 &
38062
38063
38064 )
38065 e_0_1_2 = zeta*( &
38066 +c2*e_0_0_2&
38067 +2*e_1_0_2 &
38068 )
38069 e_0_0_3 = zetb*( &
38070 +c3*e_0_0_2&
38071 +2*e_1_0_2 &
38072 -4*e_0_0_1)
38073 e_1_1_2 = zeta*( c1*e_0_0_2 &
38074 +c2*e_1_0_2&
38075 +4*e_2_0_2 &
38076 )
38077 e_1_0_3 = zetb*( c1*e_0_0_2 &
38078 +c3*e_1_0_2&
38079 +4*e_2_0_2 &
38080 -4*e_1_0_1)
38081 e_2_1_2 = zeta*( c1*e_1_0_2 &
38082 +c2*e_2_0_2&
38083
38084 )
38085 e_2_0_3 = zetb*( c1*e_1_0_2 &
38086 +c3*e_2_0_2&
38087
38088 )
38089 e_3_1_2 = zeta*( c1*e_2_0_2 &
38090
38091
38092 )
38093 e_3_0_3 = zetb*( c1*e_2_0_2 &
38094
38095
38096 )
38097 e_0_2_2 = zeta*( &
38098 +c2*e_0_1_2&
38099 +2*e_1_1_2 &
38100 -2*e_0_0_2)
38101 e_0_1_3 = zetb*( &
38102 +c3*e_0_1_2&
38103 +2*e_1_1_2 &
38104 -4*e_0_1_1)
38105 e_1_2_2 = zeta*( c1*e_0_1_2 &
38106 +c2*e_1_1_2&
38107 +4*e_2_1_2 &
38108 -2*e_1_0_2)
38109 e_1_1_3 = zetb*( c1*e_0_1_2 &
38110 +c3*e_1_1_2&
38111 +4*e_2_1_2 &
38112 -4*e_1_1_1)
38113 e_2_2_2 = zeta*( c1*e_1_1_2 &
38114 +c2*e_2_1_2&
38115 +6*e_3_1_2 &
38116 -2*e_2_0_2)
38117 e_2_1_3 = zetb*( c1*e_1_1_2 &
38118 +c3*e_2_1_2&
38119 +6*e_3_1_2 &
38120 -4*e_2_1_1)
38121 e_3_2_2 = zeta*( c1*e_2_1_2 &
38122 +c2*e_3_1_2&
38123
38124 )
38125 e_3_1_3 = zetb*( c1*e_2_1_2 &
38126 +c3*e_3_1_2&
38127
38128 )
38129 e_4_2_2 = zeta*( c1*e_3_1_2 &
38130
38131
38132 )
38133 e_4_1_3 = zetb*( c1*e_3_1_2 &
38134
38135
38136 )
38137 e_0_3_2 = zeta*( &
38138 +c2*e_0_2_2&
38139 +2*e_1_2_2 &
38140 -4*e_0_1_2)
38141 e_0_2_3 = zetb*( &
38142 +c3*e_0_2_2&
38143 +2*e_1_2_2 &
38144 -4*e_0_2_1)
38145 e_1_3_2 = zeta*( c1*e_0_2_2 &
38146 +c2*e_1_2_2&
38147 +4*e_2_2_2 &
38148 -4*e_1_1_2)
38149 e_1_2_3 = zetb*( c1*e_0_2_2 &
38150 +c3*e_1_2_2&
38151 +4*e_2_2_2 &
38152 -4*e_1_2_1)
38153 e_2_3_2 = zeta*( c1*e_1_2_2 &
38154 +c2*e_2_2_2&
38155 +6*e_3_2_2 &
38156 -4*e_2_1_2)
38157 e_2_2_3 = zetb*( c1*e_1_2_2 &
38158 +c3*e_2_2_2&
38159 +6*e_3_2_2 &
38160 -4*e_2_2_1)
38161 e_3_3_2 = zeta*( c1*e_2_2_2 &
38162 +c2*e_3_2_2&
38163 +8*e_4_2_2 &
38164 -4*e_3_1_2)
38165 e_3_2_3 = zetb*( c1*e_2_2_2 &
38166 +c3*e_3_2_2&
38167 +8*e_4_2_2 &
38168 -4*e_3_2_1)
38169 e_4_3_2 = zeta*( c1*e_3_2_2 &
38170 +c2*e_4_2_2&
38171
38172 )
38173 e_4_2_3 = zetb*( c1*e_3_2_2 &
38174 +c3*e_4_2_2&
38175
38176 )
38177 e_5_3_2 = zeta*( c1*e_4_2_2 &
38178
38179
38180 )
38181 e_5_2_3 = zetb*( c1*e_4_2_2 &
38182
38183
38184 )
38185 e_0_3_3 = zetb*( &
38186 +c3*e_0_3_2&
38187 +2*e_1_3_2 &
38188 -4*e_0_3_1)
38189 e_1_3_3 = zetb*( c1*e_0_3_2 &
38190 +c3*e_1_3_2&
38191 +4*e_2_3_2 &
38192 -4*e_1_3_1)
38193 e_2_3_3 = zetb*( c1*e_1_3_2 &
38194 +c3*e_2_3_2&
38195 +6*e_3_3_2 &
38196 -4*e_2_3_1)
38197 e_3_3_3 = zetb*( c1*e_2_3_2 &
38198 +c3*e_3_3_2&
38199 +8*e_4_3_2 &
38200 -4*e_3_3_1)
38201 e_4_3_3 = zetb*( c1*e_3_3_2 &
38202 +c3*e_4_3_2&
38203 +10*e_5_3_2 &
38204 -4*e_4_3_1)
38205 e_5_3_3 = zetb*( c1*e_4_3_2 &
38206 +c3*e_5_3_2&
38207
38208 )
38209 e_6_3_3 = zetb*( c1*e_5_3_2 &
38210
38211
38212 )
38213 e_0_1_3 = zeta*( &
38214 +c2*e_0_0_3&
38215 +2*e_1_0_3 &
38216 )
38217 e_0_0_4 = zetb*( &
38218 +c3*e_0_0_3&
38219 +2*e_1_0_3 &
38220 -6*e_0_0_2)
38221 e_1_1_3 = zeta*( c1*e_0_0_3 &
38222 +c2*e_1_0_3&
38223 +4*e_2_0_3 &
38224 )
38225 e_1_0_4 = zetb*( c1*e_0_0_3 &
38226 +c3*e_1_0_3&
38227 +4*e_2_0_3 &
38228 -6*e_1_0_2)
38229 e_2_1_3 = zeta*( c1*e_1_0_3 &
38230 +c2*e_2_0_3&
38231 +6*e_3_0_3 &
38232 )
38233 e_2_0_4 = zetb*( c1*e_1_0_3 &
38234 +c3*e_2_0_3&
38235 +6*e_3_0_3 &
38236 -6*e_2_0_2)
38237 e_3_1_3 = zeta*( c1*e_2_0_3 &
38238 +c2*e_3_0_3&
38239
38240 )
38241 e_3_0_4 = zetb*( c1*e_2_0_3 &
38242 +c3*e_3_0_3&
38243
38244 )
38245 e_4_1_3 = zeta*( c1*e_3_0_3 &
38246
38247
38248 )
38249 e_4_0_4 = zetb*( c1*e_3_0_3 &
38250
38251
38252 )
38253 e_0_2_3 = zeta*( &
38254 +c2*e_0_1_3&
38255 +2*e_1_1_3 &
38256 -2*e_0_0_3)
38257 e_0_1_4 = zetb*( &
38258 +c3*e_0_1_3&
38259 +2*e_1_1_3 &
38260 -6*e_0_1_2)
38261 e_1_2_3 = zeta*( c1*e_0_1_3 &
38262 +c2*e_1_1_3&
38263 +4*e_2_1_3 &
38264 -2*e_1_0_3)
38265 e_1_1_4 = zetb*( c1*e_0_1_3 &
38266 +c3*e_1_1_3&
38267 +4*e_2_1_3 &
38268 -6*e_1_1_2)
38269 e_2_2_3 = zeta*( c1*e_1_1_3 &
38270 +c2*e_2_1_3&
38271 +6*e_3_1_3 &
38272 -2*e_2_0_3)
38273 e_2_1_4 = zetb*( c1*e_1_1_3 &
38274 +c3*e_2_1_3&
38275 +6*e_3_1_3 &
38276 -6*e_2_1_2)
38277 e_3_2_3 = zeta*( c1*e_2_1_3 &
38278 +c2*e_3_1_3&
38279 +8*e_4_1_3 &
38280 -2*e_3_0_3)
38281 e_3_1_4 = zetb*( c1*e_2_1_3 &
38282 +c3*e_3_1_3&
38283 +8*e_4_1_3 &
38284 -6*e_3_1_2)
38285 e_4_2_3 = zeta*( c1*e_3_1_3 &
38286 +c2*e_4_1_3&
38287
38288 )
38289 e_4_1_4 = zetb*( c1*e_3_1_3 &
38290 +c3*e_4_1_3&
38291
38292 )
38293 e_5_2_3 = zeta*( c1*e_4_1_3 &
38294
38295
38296 )
38297 e_5_1_4 = zetb*( c1*e_4_1_3 &
38298
38299
38300 )
38301 e_0_3_3 = zeta*( &
38302 +c2*e_0_2_3&
38303 +2*e_1_2_3 &
38304 -4*e_0_1_3)
38305 e_0_2_4 = zetb*( &
38306 +c3*e_0_2_3&
38307 +2*e_1_2_3 &
38308 -6*e_0_2_2)
38309 e_1_3_3 = zeta*( c1*e_0_2_3 &
38310 +c2*e_1_2_3&
38311 +4*e_2_2_3 &
38312 -4*e_1_1_3)
38313 e_1_2_4 = zetb*( c1*e_0_2_3 &
38314 +c3*e_1_2_3&
38315 +4*e_2_2_3 &
38316 -6*e_1_2_2)
38317 e_2_3_3 = zeta*( c1*e_1_2_3 &
38318 +c2*e_2_2_3&
38319 +6*e_3_2_3 &
38320 -4*e_2_1_3)
38321 e_2_2_4 = zetb*( c1*e_1_2_3 &
38322 +c3*e_2_2_3&
38323 +6*e_3_2_3 &
38324 -6*e_2_2_2)
38325 e_3_3_3 = zeta*( c1*e_2_2_3 &
38326 +c2*e_3_2_3&
38327 +8*e_4_2_3 &
38328 -4*e_3_1_3)
38329 e_3_2_4 = zetb*( c1*e_2_2_3 &
38330 +c3*e_3_2_3&
38331 +8*e_4_2_3 &
38332 -6*e_3_2_2)
38333 e_4_3_3 = zeta*( c1*e_3_2_3 &
38334 +c2*e_4_2_3&
38335 +10*e_5_2_3 &
38336 -4*e_4_1_3)
38337 e_4_2_4 = zetb*( c1*e_3_2_3 &
38338 +c3*e_4_2_3&
38339 +10*e_5_2_3 &
38340 -6*e_4_2_2)
38341 e_5_3_3 = zeta*( c1*e_4_2_3 &
38342 +c2*e_5_2_3&
38343
38344 )
38345 e_5_2_4 = zetb*( c1*e_4_2_3 &
38346 +c3*e_5_2_3&
38347
38348 )
38349 e_6_3_3 = zeta*( c1*e_5_2_3 &
38350
38351
38352 )
38353 e_6_2_4 = zetb*( c1*e_5_2_3 &
38354
38355
38356 )
38357 e_0_3_4 = zetb*( &
38358 +c3*e_0_3_3&
38359 +2*e_1_3_3 &
38360 -6*e_0_3_2)
38361 e_1_3_4 = zetb*( c1*e_0_3_3 &
38362 +c3*e_1_3_3&
38363 +4*e_2_3_3 &
38364 -6*e_1_3_2)
38365 e_2_3_4 = zetb*( c1*e_1_3_3 &
38366 +c3*e_2_3_3&
38367 +6*e_3_3_3 &
38368 -6*e_2_3_2)
38369 e_3_3_4 = zetb*( c1*e_2_3_3 &
38370 +c3*e_3_3_3&
38371 +8*e_4_3_3 &
38372 -6*e_3_3_2)
38373 e_4_3_4 = zetb*( c1*e_3_3_3 &
38374 +c3*e_4_3_3&
38375 +10*e_5_3_3 &
38376 -6*e_4_3_2)
38377 e_5_3_4 = zetb*( c1*e_4_3_3 &
38378 +c3*e_5_3_3&
38379 +12*e_6_3_3 &
38380 -6*e_5_3_2)
38381 e_6_3_4 = zetb*( c1*e_5_3_3 &
38382 +c3*e_6_3_3&
38383
38384 )
38385 e_7_3_4 = zetb*( c1*e_6_3_3 &
38386
38387
38388 )
38389 e_0_1_4 = zeta*( &
38390 +c2*e_0_0_4&
38391 +2*e_1_0_4 &
38392 )
38393 e_1_1_4 = zeta*( c1*e_0_0_4 &
38394 +c2*e_1_0_4&
38395 +4*e_2_0_4 &
38396 )
38397 e_2_1_4 = zeta*( c1*e_1_0_4 &
38398 +c2*e_2_0_4&
38399 +6*e_3_0_4 &
38400 )
38401 e_3_1_4 = zeta*( c1*e_2_0_4 &
38402 +c2*e_3_0_4&
38403 +8*e_4_0_4 &
38404 )
38405 e_4_1_4 = zeta*( c1*e_3_0_4 &
38406 +c2*e_4_0_4&
38407
38408 )
38409 e_5_1_4 = zeta*( c1*e_4_0_4 &
38410
38411
38412 )
38413 e_0_2_4 = zeta*( &
38414 +c2*e_0_1_4&
38415 +2*e_1_1_4 &
38416 -2*e_0_0_4)
38417 e_1_2_4 = zeta*( c1*e_0_1_4 &
38418 +c2*e_1_1_4&
38419 +4*e_2_1_4 &
38420 -2*e_1_0_4)
38421 e_2_2_4 = zeta*( c1*e_1_1_4 &
38422 +c2*e_2_1_4&
38423 +6*e_3_1_4 &
38424 -2*e_2_0_4)
38425 e_3_2_4 = zeta*( c1*e_2_1_4 &
38426 +c2*e_3_1_4&
38427 +8*e_4_1_4 &
38428 -2*e_3_0_4)
38429 e_4_2_4 = zeta*( c1*e_3_1_4 &
38430 +c2*e_4_1_4&
38431 +10*e_5_1_4 &
38432 -2*e_4_0_4)
38433 e_5_2_4 = zeta*( c1*e_4_1_4 &
38434 +c2*e_5_1_4&
38435
38436 )
38437 e_6_2_4 = zeta*( c1*e_5_1_4 &
38438
38439
38440 )
38441 e_0_3_4 = zeta*( &
38442 +c2*e_0_2_4&
38443 +2*e_1_2_4 &
38444 -4*e_0_1_4)
38445 e_1_3_4 = zeta*( c1*e_0_2_4 &
38446 +c2*e_1_2_4&
38447 +4*e_2_2_4 &
38448 -4*e_1_1_4)
38449 e_2_3_4 = zeta*( c1*e_1_2_4 &
38450 +c2*e_2_2_4&
38451 +6*e_3_2_4 &
38452 -4*e_2_1_4)
38453 e_3_3_4 = zeta*( c1*e_2_2_4 &
38454 +c2*e_3_2_4&
38455 +8*e_4_2_4 &
38456 -4*e_3_1_4)
38457 e_4_3_4 = zeta*( c1*e_3_2_4 &
38458 +c2*e_4_2_4&
38459 +10*e_5_2_4 &
38460 -4*e_4_1_4)
38461 e_5_3_4 = zeta*( c1*e_4_2_4 &
38462 +c2*e_5_2_4&
38463 +12*e_6_2_4 &
38464 -4*e_5_1_4)
38465 e_6_3_4 = zeta*( c1*e_5_2_4 &
38466 +c2*e_6_2_4&
38467
38468 )
38469 e_7_3_4 = zeta*( c1*e_6_2_4 &
38470
38471
38472 )
38473
38474 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
38475 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
38476 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
38477 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
38478 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
38479 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
38480 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
38481 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
38482 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
38483 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
38484 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
38485 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
38486 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
38487 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
38488 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
38489 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
38490 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
38491 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
38492 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
38493 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
38494 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
38495 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
38496 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
38497 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
38498 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
38499 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
38500 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
38501 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
38502 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
38503 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
38504 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
38505 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
38506 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
38507 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
38508 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
38509 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
38510 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
38511 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
38512 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
38513 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
38514 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
38515 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
38516 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
38517 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
38518 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
38519 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
38520 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
38521 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
38522 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
38523 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
38524 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
38525 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
38526 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
38527 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
38528 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
38529 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
38530 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
38531 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
38532 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
38533 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
38534 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
38535 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
38536 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
38537 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
38538 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
38539 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
38540 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
38541 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
38542 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
38543 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
38544 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
38545 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
38546 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
38547 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
38548 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
38549 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
38550 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
38551 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
38552 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
38553 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
38554 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
38555 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
38556 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
38557 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
38558 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
38559 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
38560 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
38561 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
38562 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
38563 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
38564 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
38565 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
38566 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
38567 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
38568 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
38569 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
38570 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
38571 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
38572 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
38573 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
38574 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
38575 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
38576 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
38577 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
38578 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
38579 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
38580 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
38581 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
38582 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
38583 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
38584 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
38585 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
38586 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
38587 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
38588 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
38589 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
38590 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
38591 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
38592 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
38593 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
38594 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
38595 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
38596 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
38597 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
38598 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
38599 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
38600 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
38601 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
38602 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
38603 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
38604 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
38605 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
38606 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
38607 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
38608 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
38609 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
38610 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
38611 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
38612 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
38613 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
38614 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
38615 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
38616 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
38617 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
38618 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
38619 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
38620 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
38621 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
38622 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
38623 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
38624 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
38625 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
38626 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
38627 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
38628 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
38629 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
38630 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
38631 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
38632 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
38633 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
38634 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
38635 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
38636 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
38637 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
38638 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
38639 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
38640 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
38641 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
38642 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
38643 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
38644 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
38645 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
38646 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
38647 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
38648 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
38649 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
38650 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
38651 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
38652 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
38653 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
38654 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
38655 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
38656 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
38657 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
38658 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
38659 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
38660 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
38661 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
38662 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
38663 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
38664 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
38665 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
38666 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
38667 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
38668 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
38669 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
38670 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
38671 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
38672 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
38673 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
38674 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
38675 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
38676 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
38677 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
38678 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
38679 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
38680 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
38681 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
38682 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
38683 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
38684 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
38685 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
38686 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
38687 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
38688 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
38689 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
38690 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
38691 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
38692 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
38693 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
38694 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
38695 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
38696 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
38697 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
38698 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
38699 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
38700 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
38701 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
38702 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
38703 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
38704 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
38705 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
38706 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
38707 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
38708 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
38709 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
38710 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
38711 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
38712 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
38713 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
38714 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
38715 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
38716 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
38717 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
38718 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
38719 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
38720 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
38721 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
38722 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
38723 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
38724 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
38725 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
38726 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
38727 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
38728 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
38729 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
38730 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
38731 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
38732 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
38733 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
38734 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
38735 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
38736 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
38737 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
38738 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
38739 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
38740 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
38741 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
38742 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
38743 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
38744 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
38745 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
38746 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
38747 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
38748 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
38749 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
38750 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
38751 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
38752 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
38753 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
38754 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
38755 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
38756 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
38757 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
38758 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
38759 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
38760 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
38761 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
38762 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
38763 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
38764 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
38765 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
38766 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
38767 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
38768 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
38769 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
38770 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
38771 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
38772 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
38773 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
38774 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
38775 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
38776 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
38777 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
38778 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
38779 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
38780 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
38781 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
38782 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
38783 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
38784 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
38785 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
38786 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
38787 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
38788 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
38789 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
38790 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
38791 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
38792 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
38793 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
38794 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
38795 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
38796 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
38797 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
38798 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
38799 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
38800 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
38801 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
38802 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
38803 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
38804 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
38805 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
38806 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
38807 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
38808 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
38809 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
38810 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
38811 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
38812 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
38813 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
38814 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
38815 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
38816 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
38817 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
38818 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
38819 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
38820 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
38821 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
38822 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
38823 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
38824 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
38825 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
38826 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
38827 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
38828 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
38829 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
38830 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
38831 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
38832 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
38833 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
38834 r1 = r1 + dr
38835 END DO
38836
38837 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
38838 END SUBROUTINE
38839 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_4_exp_0 ( &
38840 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
38841 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
38842 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
38843 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
38844 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
38845 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
38846 r_pow_t, r_tmp, rr1_delta, rr2_delta
38847
38848 REAL(kind=dp) :: c1, c2, c3
38849 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
38850 & s_r_t_10, s_r_t_11
38851 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
38852 & s_r_t2_9, s_r_t2_10, s_r_t2_11
38853 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
38854 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
38855 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
38856 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
38857 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
38858 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
38859 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
38860 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
38861 & h_to_c_10_11, h_to_c_11_11
38862 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
38863 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
38864 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
38865 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
38866 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
38867 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
38868 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
38869
38870
38871 dr = lgth
38872 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
38873
38874 s_r(:, :, :) = 0.0_dp
38875
38876 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
38877
38878 h_to_c_0_0 = sqrt(alpha/pi)
38879
38880 h_to_c_0_1 = 0.0_dp
38881 h_to_c_1_1 = +2*alpha*h_to_c_0_0
38882 h_to_c_0_2 = -1*h_to_c_1_1
38883 h_to_c_1_2 = +2*alpha*h_to_c_0_1
38884 h_to_c_2_2 = +2*alpha*h_to_c_1_1
38885 h_to_c_0_3 = -1*h_to_c_1_2
38886 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
38887 h_to_c_2_3 = +2*alpha*h_to_c_1_2
38888 h_to_c_3_3 = +2*alpha*h_to_c_2_2
38889 h_to_c_0_4 = -1*h_to_c_1_3
38890 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
38891 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
38892 h_to_c_3_4 = +2*alpha*h_to_c_2_3
38893 h_to_c_4_4 = +2*alpha*h_to_c_3_3
38894 h_to_c_0_5 = -1*h_to_c_1_4
38895 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
38896 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
38897 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
38898 h_to_c_4_5 = +2*alpha*h_to_c_3_4
38899 h_to_c_5_5 = +2*alpha*h_to_c_4_4
38900 h_to_c_0_6 = -1*h_to_c_1_5
38901 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
38902 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
38903 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
38904 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
38905 h_to_c_5_6 = +2*alpha*h_to_c_4_5
38906 h_to_c_6_6 = +2*alpha*h_to_c_5_5
38907 h_to_c_0_7 = -1*h_to_c_1_6
38908 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
38909 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
38910 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
38911 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
38912 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
38913 h_to_c_6_7 = +2*alpha*h_to_c_5_6
38914 h_to_c_7_7 = +2*alpha*h_to_c_6_6
38915 h_to_c_0_8 = -1*h_to_c_1_7
38916 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
38917 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
38918 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
38919 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
38920 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
38921 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
38922 h_to_c_7_8 = +2*alpha*h_to_c_6_7
38923 h_to_c_8_8 = +2*alpha*h_to_c_7_7
38924 h_to_c_0_9 = -1*h_to_c_1_8
38925 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
38926 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
38927 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
38928 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
38929 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
38930 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
38931 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
38932 h_to_c_8_9 = +2*alpha*h_to_c_7_8
38933 h_to_c_9_9 = +2*alpha*h_to_c_8_8
38934 h_to_c_0_10 = -1*h_to_c_1_9
38935 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
38936 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
38937 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
38938 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
38939 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
38940 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
38941 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
38942 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
38943 h_to_c_9_10 = +2*alpha*h_to_c_8_9
38944 h_to_c_10_10 = +2*alpha*h_to_c_9_9
38945 h_to_c_0_11 = -1*h_to_c_1_10
38946 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
38947 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
38948 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
38949 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
38950 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
38951 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
38952 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
38953 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
38954 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
38955 h_to_c_10_11 = +2*alpha*h_to_c_9_10
38956 h_to_c_11_11 = +2*alpha*h_to_c_10_10
38957
38958
38959 rr1_delta = (ra - rb)/dr
38960
38961 rr1_l = ceiling(-r_c(1) + rr1_delta)
38962 rr1_r = floor(r_c(1) + rr1_delta)
38963
38964 r1 = rr1_l*dr
38965
38966 alpha_e = zeta*zetb/(zeta + zetb)
38967
38968 DO rr1 = rr1_l, rr1_r
38969 s_r_t_0 = 0.0_dp
38970 s_r_t2_0 = 0.0_dp
38971 s_r_t_1 = 0.0_dp
38972 s_r_t2_1 = 0.0_dp
38973 s_r_t_2 = 0.0_dp
38974 s_r_t2_2 = 0.0_dp
38975 s_r_t_3 = 0.0_dp
38976 s_r_t2_3 = 0.0_dp
38977 s_r_t_4 = 0.0_dp
38978 s_r_t2_4 = 0.0_dp
38979 s_r_t_5 = 0.0_dp
38980 s_r_t2_5 = 0.0_dp
38981 s_r_t_6 = 0.0_dp
38982 s_r_t2_6 = 0.0_dp
38983 s_r_t_7 = 0.0_dp
38984 s_r_t2_7 = 0.0_dp
38985 s_r_t_8 = 0.0_dp
38986 s_r_t2_8 = 0.0_dp
38987 s_r_t_9 = 0.0_dp
38988 s_r_t2_9 = 0.0_dp
38989 s_r_t_10 = 0.0_dp
38990 s_r_t2_10 = 0.0_dp
38991 s_r_t_11 = 0.0_dp
38992 s_r_t2_11 = 0.0_dp
38993 r_tmp = r_offset + r1*zeta/(zeta + zetb)
38994 rr2_delta = -r_tmp/dr
38995
38996 rr2_l = ceiling(-r_c(2) + rr2_delta)
38997 rr2_r = floor(r_c(2) + rr2_delta)
38998
38999 r = r_tmp + (rr2_l)*dr
39000
39001
39002 DO rr2 = rr2_l, rr2_r
39003 r_pow_t = 1.0_dp
39004 exp2_rsq = exp(-alpha*r*r)
39005 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
39006 r_pow_t = r_pow_t*r
39007 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
39008 r_pow_t = r_pow_t*r
39009 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
39010 r_pow_t = r_pow_t*r
39011 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
39012 r_pow_t = r_pow_t*r
39013 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
39014 r_pow_t = r_pow_t*r
39015 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
39016 r_pow_t = r_pow_t*r
39017 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
39018 r_pow_t = r_pow_t*r
39019 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
39020 r_pow_t = r_pow_t*r
39021 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
39022 r_pow_t = r_pow_t*r
39023 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
39024 r_pow_t = r_pow_t*r
39025 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
39026 r_pow_t = r_pow_t*r
39027 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
39028
39029 r = r + dr
39030 END DO
39031
39032 ! C --> H
39033 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
39034 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
39035 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
39036 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
39037 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
39038 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
39039 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
39040 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
39041 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
39042 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
39043 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
39044 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
39045 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
39046 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
39047 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
39048 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
39049 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
39050 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
39051 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
39052 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
39053 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
39054 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
39055 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
39056 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
39057 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
39058 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
39059 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
39060 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
39061 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
39062 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
39063 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
39064 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
39065 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
39066 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
39067 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
39068 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
39069 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
39070 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
39071 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
39072 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
39073 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
39074 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
39075 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
39076 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
39077 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
39078 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
39079 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
39080 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
39081 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
39082 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
39083 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
39084 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
39085 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
39086 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
39087 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
39088 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
39089 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
39090 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
39091 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
39092 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
39093 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
39094 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
39095 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
39096 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
39097 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
39098 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
39099 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
39100 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
39101 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
39102 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
39103 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
39104 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
39105 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
39106 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
39107 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
39108 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
39109 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
39110 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
39111
39112 ! H --> HH
39113 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
39114
39115 c1 = 1.0_dp/(zeta + zetb)
39116 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
39117 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
39118
39119 e_0_1_0 = zeta*( &
39120 +c2*e_0_0_0&
39121
39122 )
39123 e_0_0_1 = zetb*( &
39124 +c3*e_0_0_0&
39125
39126 )
39127 e_1_1_0 = zeta*( c1*e_0_0_0 &
39128
39129
39130 )
39131 e_1_0_1 = zetb*( c1*e_0_0_0 &
39132
39133
39134 )
39135 e_0_2_0 = zeta*( &
39136 +c2*e_0_1_0&
39137 +2*e_1_1_0 &
39138 -2*e_0_0_0)
39139 e_0_1_1 = zetb*( &
39140 +c3*e_0_1_0&
39141 +2*e_1_1_0 &
39142 )
39143 e_1_2_0 = zeta*( c1*e_0_1_0 &
39144 +c2*e_1_1_0&
39145
39146 )
39147 e_1_1_1 = zetb*( c1*e_0_1_0 &
39148 +c3*e_1_1_0&
39149
39150 )
39151 e_2_2_0 = zeta*( c1*e_1_1_0 &
39152
39153
39154 )
39155 e_2_1_1 = zetb*( c1*e_1_1_0 &
39156
39157
39158 )
39159 e_0_3_0 = zeta*( &
39160 +c2*e_0_2_0&
39161 +2*e_1_2_0 &
39162 -4*e_0_1_0)
39163 e_0_2_1 = zetb*( &
39164 +c3*e_0_2_0&
39165 +2*e_1_2_0 &
39166 )
39167 e_1_3_0 = zeta*( c1*e_0_2_0 &
39168 +c2*e_1_2_0&
39169 +4*e_2_2_0 &
39170 -4*e_1_1_0)
39171 e_1_2_1 = zetb*( c1*e_0_2_0 &
39172 +c3*e_1_2_0&
39173 +4*e_2_2_0 &
39174 )
39175 e_2_3_0 = zeta*( c1*e_1_2_0 &
39176 +c2*e_2_2_0&
39177
39178 )
39179 e_2_2_1 = zetb*( c1*e_1_2_0 &
39180 +c3*e_2_2_0&
39181
39182 )
39183 e_3_3_0 = zeta*( c1*e_2_2_0 &
39184
39185
39186 )
39187 e_3_2_1 = zetb*( c1*e_2_2_0 &
39188
39189
39190 )
39191 e_0_3_1 = zetb*( &
39192 +c3*e_0_3_0&
39193 +2*e_1_3_0 &
39194 )
39195 e_1_3_1 = zetb*( c1*e_0_3_0 &
39196 +c3*e_1_3_0&
39197 +4*e_2_3_0 &
39198 )
39199 e_2_3_1 = zetb*( c1*e_1_3_0 &
39200 +c3*e_2_3_0&
39201 +6*e_3_3_0 &
39202 )
39203 e_3_3_1 = zetb*( c1*e_2_3_0 &
39204 +c3*e_3_3_0&
39205
39206 )
39207 e_4_3_1 = zetb*( c1*e_3_3_0 &
39208
39209
39210 )
39211 e_0_1_1 = zeta*( &
39212 +c2*e_0_0_1&
39213 +2*e_1_0_1 &
39214 )
39215 e_0_0_2 = zetb*( &
39216 +c3*e_0_0_1&
39217 +2*e_1_0_1 &
39218 -2*e_0_0_0)
39219 e_1_1_1 = zeta*( c1*e_0_0_1 &
39220 +c2*e_1_0_1&
39221
39222 )
39223 e_1_0_2 = zetb*( c1*e_0_0_1 &
39224 +c3*e_1_0_1&
39225
39226 )
39227 e_2_1_1 = zeta*( c1*e_1_0_1 &
39228
39229
39230 )
39231 e_2_0_2 = zetb*( c1*e_1_0_1 &
39232
39233
39234 )
39235 e_0_2_1 = zeta*( &
39236 +c2*e_0_1_1&
39237 +2*e_1_1_1 &
39238 -2*e_0_0_1)
39239 e_0_1_2 = zetb*( &
39240 +c3*e_0_1_1&
39241 +2*e_1_1_1 &
39242 -2*e_0_1_0)
39243 e_1_2_1 = zeta*( c1*e_0_1_1 &
39244 +c2*e_1_1_1&
39245 +4*e_2_1_1 &
39246 -2*e_1_0_1)
39247 e_1_1_2 = zetb*( c1*e_0_1_1 &
39248 +c3*e_1_1_1&
39249 +4*e_2_1_1 &
39250 -2*e_1_1_0)
39251 e_2_2_1 = zeta*( c1*e_1_1_1 &
39252 +c2*e_2_1_1&
39253
39254 )
39255 e_2_1_2 = zetb*( c1*e_1_1_1 &
39256 +c3*e_2_1_1&
39257
39258 )
39259 e_3_2_1 = zeta*( c1*e_2_1_1 &
39260
39261
39262 )
39263 e_3_1_2 = zetb*( c1*e_2_1_1 &
39264
39265
39266 )
39267 e_0_3_1 = zeta*( &
39268 +c2*e_0_2_1&
39269 +2*e_1_2_1 &
39270 -4*e_0_1_1)
39271 e_0_2_2 = zetb*( &
39272 +c3*e_0_2_1&
39273 +2*e_1_2_1 &
39274 -2*e_0_2_0)
39275 e_1_3_1 = zeta*( c1*e_0_2_1 &
39276 +c2*e_1_2_1&
39277 +4*e_2_2_1 &
39278 -4*e_1_1_1)
39279 e_1_2_2 = zetb*( c1*e_0_2_1 &
39280 +c3*e_1_2_1&
39281 +4*e_2_2_1 &
39282 -2*e_1_2_0)
39283 e_2_3_1 = zeta*( c1*e_1_2_1 &
39284 +c2*e_2_2_1&
39285 +6*e_3_2_1 &
39286 -4*e_2_1_1)
39287 e_2_2_2 = zetb*( c1*e_1_2_1 &
39288 +c3*e_2_2_1&
39289 +6*e_3_2_1 &
39290 -2*e_2_2_0)
39291 e_3_3_1 = zeta*( c1*e_2_2_1 &
39292 +c2*e_3_2_1&
39293
39294 )
39295 e_3_2_2 = zetb*( c1*e_2_2_1 &
39296 +c3*e_3_2_1&
39297
39298 )
39299 e_4_3_1 = zeta*( c1*e_3_2_1 &
39300
39301
39302 )
39303 e_4_2_2 = zetb*( c1*e_3_2_1 &
39304
39305
39306 )
39307 e_0_3_2 = zetb*( &
39308 +c3*e_0_3_1&
39309 +2*e_1_3_1 &
39310 -2*e_0_3_0)
39311 e_1_3_2 = zetb*( c1*e_0_3_1 &
39312 +c3*e_1_3_1&
39313 +4*e_2_3_1 &
39314 -2*e_1_3_0)
39315 e_2_3_2 = zetb*( c1*e_1_3_1 &
39316 +c3*e_2_3_1&
39317 +6*e_3_3_1 &
39318 -2*e_2_3_0)
39319 e_3_3_2 = zetb*( c1*e_2_3_1 &
39320 +c3*e_3_3_1&
39321 +8*e_4_3_1 &
39322 -2*e_3_3_0)
39323 e_4_3_2 = zetb*( c1*e_3_3_1 &
39324 +c3*e_4_3_1&
39325
39326 )
39327 e_5_3_2 = zetb*( c1*e_4_3_1 &
39328
39329
39330 )
39331 e_0_1_2 = zeta*( &
39332 +c2*e_0_0_2&
39333 +2*e_1_0_2 &
39334 )
39335 e_0_0_3 = zetb*( &
39336 +c3*e_0_0_2&
39337 +2*e_1_0_2 &
39338 -4*e_0_0_1)
39339 e_1_1_2 = zeta*( c1*e_0_0_2 &
39340 +c2*e_1_0_2&
39341 +4*e_2_0_2 &
39342 )
39343 e_1_0_3 = zetb*( c1*e_0_0_2 &
39344 +c3*e_1_0_2&
39345 +4*e_2_0_2 &
39346 -4*e_1_0_1)
39347 e_2_1_2 = zeta*( c1*e_1_0_2 &
39348 +c2*e_2_0_2&
39349
39350 )
39351 e_2_0_3 = zetb*( c1*e_1_0_2 &
39352 +c3*e_2_0_2&
39353
39354 )
39355 e_3_1_2 = zeta*( c1*e_2_0_2 &
39356
39357
39358 )
39359 e_3_0_3 = zetb*( c1*e_2_0_2 &
39360
39361
39362 )
39363 e_0_2_2 = zeta*( &
39364 +c2*e_0_1_2&
39365 +2*e_1_1_2 &
39366 -2*e_0_0_2)
39367 e_0_1_3 = zetb*( &
39368 +c3*e_0_1_2&
39369 +2*e_1_1_2 &
39370 -4*e_0_1_1)
39371 e_1_2_2 = zeta*( c1*e_0_1_2 &
39372 +c2*e_1_1_2&
39373 +4*e_2_1_2 &
39374 -2*e_1_0_2)
39375 e_1_1_3 = zetb*( c1*e_0_1_2 &
39376 +c3*e_1_1_2&
39377 +4*e_2_1_2 &
39378 -4*e_1_1_1)
39379 e_2_2_2 = zeta*( c1*e_1_1_2 &
39380 +c2*e_2_1_2&
39381 +6*e_3_1_2 &
39382 -2*e_2_0_2)
39383 e_2_1_3 = zetb*( c1*e_1_1_2 &
39384 +c3*e_2_1_2&
39385 +6*e_3_1_2 &
39386 -4*e_2_1_1)
39387 e_3_2_2 = zeta*( c1*e_2_1_2 &
39388 +c2*e_3_1_2&
39389
39390 )
39391 e_3_1_3 = zetb*( c1*e_2_1_2 &
39392 +c3*e_3_1_2&
39393
39394 )
39395 e_4_2_2 = zeta*( c1*e_3_1_2 &
39396
39397
39398 )
39399 e_4_1_3 = zetb*( c1*e_3_1_2 &
39400
39401
39402 )
39403 e_0_3_2 = zeta*( &
39404 +c2*e_0_2_2&
39405 +2*e_1_2_2 &
39406 -4*e_0_1_2)
39407 e_0_2_3 = zetb*( &
39408 +c3*e_0_2_2&
39409 +2*e_1_2_2 &
39410 -4*e_0_2_1)
39411 e_1_3_2 = zeta*( c1*e_0_2_2 &
39412 +c2*e_1_2_2&
39413 +4*e_2_2_2 &
39414 -4*e_1_1_2)
39415 e_1_2_3 = zetb*( c1*e_0_2_2 &
39416 +c3*e_1_2_2&
39417 +4*e_2_2_2 &
39418 -4*e_1_2_1)
39419 e_2_3_2 = zeta*( c1*e_1_2_2 &
39420 +c2*e_2_2_2&
39421 +6*e_3_2_2 &
39422 -4*e_2_1_2)
39423 e_2_2_3 = zetb*( c1*e_1_2_2 &
39424 +c3*e_2_2_2&
39425 +6*e_3_2_2 &
39426 -4*e_2_2_1)
39427 e_3_3_2 = zeta*( c1*e_2_2_2 &
39428 +c2*e_3_2_2&
39429 +8*e_4_2_2 &
39430 -4*e_3_1_2)
39431 e_3_2_3 = zetb*( c1*e_2_2_2 &
39432 +c3*e_3_2_2&
39433 +8*e_4_2_2 &
39434 -4*e_3_2_1)
39435 e_4_3_2 = zeta*( c1*e_3_2_2 &
39436 +c2*e_4_2_2&
39437
39438 )
39439 e_4_2_3 = zetb*( c1*e_3_2_2 &
39440 +c3*e_4_2_2&
39441
39442 )
39443 e_5_3_2 = zeta*( c1*e_4_2_2 &
39444
39445
39446 )
39447 e_5_2_3 = zetb*( c1*e_4_2_2 &
39448
39449
39450 )
39451 e_0_3_3 = zetb*( &
39452 +c3*e_0_3_2&
39453 +2*e_1_3_2 &
39454 -4*e_0_3_1)
39455 e_1_3_3 = zetb*( c1*e_0_3_2 &
39456 +c3*e_1_3_2&
39457 +4*e_2_3_2 &
39458 -4*e_1_3_1)
39459 e_2_3_3 = zetb*( c1*e_1_3_2 &
39460 +c3*e_2_3_2&
39461 +6*e_3_3_2 &
39462 -4*e_2_3_1)
39463 e_3_3_3 = zetb*( c1*e_2_3_2 &
39464 +c3*e_3_3_2&
39465 +8*e_4_3_2 &
39466 -4*e_3_3_1)
39467 e_4_3_3 = zetb*( c1*e_3_3_2 &
39468 +c3*e_4_3_2&
39469 +10*e_5_3_2 &
39470 -4*e_4_3_1)
39471 e_5_3_3 = zetb*( c1*e_4_3_2 &
39472 +c3*e_5_3_2&
39473
39474 )
39475 e_6_3_3 = zetb*( c1*e_5_3_2 &
39476
39477
39478 )
39479 e_0_1_3 = zeta*( &
39480 +c2*e_0_0_3&
39481 +2*e_1_0_3 &
39482 )
39483 e_0_0_4 = zetb*( &
39484 +c3*e_0_0_3&
39485 +2*e_1_0_3 &
39486 -6*e_0_0_2)
39487 e_1_1_3 = zeta*( c1*e_0_0_3 &
39488 +c2*e_1_0_3&
39489 +4*e_2_0_3 &
39490 )
39491 e_1_0_4 = zetb*( c1*e_0_0_3 &
39492 +c3*e_1_0_3&
39493 +4*e_2_0_3 &
39494 -6*e_1_0_2)
39495 e_2_1_3 = zeta*( c1*e_1_0_3 &
39496 +c2*e_2_0_3&
39497 +6*e_3_0_3 &
39498 )
39499 e_2_0_4 = zetb*( c1*e_1_0_3 &
39500 +c3*e_2_0_3&
39501 +6*e_3_0_3 &
39502 -6*e_2_0_2)
39503 e_3_1_3 = zeta*( c1*e_2_0_3 &
39504 +c2*e_3_0_3&
39505
39506 )
39507 e_3_0_4 = zetb*( c1*e_2_0_3 &
39508 +c3*e_3_0_3&
39509
39510 )
39511 e_4_1_3 = zeta*( c1*e_3_0_3 &
39512
39513
39514 )
39515 e_4_0_4 = zetb*( c1*e_3_0_3 &
39516
39517
39518 )
39519 e_0_2_3 = zeta*( &
39520 +c2*e_0_1_3&
39521 +2*e_1_1_3 &
39522 -2*e_0_0_3)
39523 e_0_1_4 = zetb*( &
39524 +c3*e_0_1_3&
39525 +2*e_1_1_3 &
39526 -6*e_0_1_2)
39527 e_1_2_3 = zeta*( c1*e_0_1_3 &
39528 +c2*e_1_1_3&
39529 +4*e_2_1_3 &
39530 -2*e_1_0_3)
39531 e_1_1_4 = zetb*( c1*e_0_1_3 &
39532 +c3*e_1_1_3&
39533 +4*e_2_1_3 &
39534 -6*e_1_1_2)
39535 e_2_2_3 = zeta*( c1*e_1_1_3 &
39536 +c2*e_2_1_3&
39537 +6*e_3_1_3 &
39538 -2*e_2_0_3)
39539 e_2_1_4 = zetb*( c1*e_1_1_3 &
39540 +c3*e_2_1_3&
39541 +6*e_3_1_3 &
39542 -6*e_2_1_2)
39543 e_3_2_3 = zeta*( c1*e_2_1_3 &
39544 +c2*e_3_1_3&
39545 +8*e_4_1_3 &
39546 -2*e_3_0_3)
39547 e_3_1_4 = zetb*( c1*e_2_1_3 &
39548 +c3*e_3_1_3&
39549 +8*e_4_1_3 &
39550 -6*e_3_1_2)
39551 e_4_2_3 = zeta*( c1*e_3_1_3 &
39552 +c2*e_4_1_3&
39553
39554 )
39555 e_4_1_4 = zetb*( c1*e_3_1_3 &
39556 +c3*e_4_1_3&
39557
39558 )
39559 e_5_2_3 = zeta*( c1*e_4_1_3 &
39560
39561
39562 )
39563 e_5_1_4 = zetb*( c1*e_4_1_3 &
39564
39565
39566 )
39567 e_0_3_3 = zeta*( &
39568 +c2*e_0_2_3&
39569 +2*e_1_2_3 &
39570 -4*e_0_1_3)
39571 e_0_2_4 = zetb*( &
39572 +c3*e_0_2_3&
39573 +2*e_1_2_3 &
39574 -6*e_0_2_2)
39575 e_1_3_3 = zeta*( c1*e_0_2_3 &
39576 +c2*e_1_2_3&
39577 +4*e_2_2_3 &
39578 -4*e_1_1_3)
39579 e_1_2_4 = zetb*( c1*e_0_2_3 &
39580 +c3*e_1_2_3&
39581 +4*e_2_2_3 &
39582 -6*e_1_2_2)
39583 e_2_3_3 = zeta*( c1*e_1_2_3 &
39584 +c2*e_2_2_3&
39585 +6*e_3_2_3 &
39586 -4*e_2_1_3)
39587 e_2_2_4 = zetb*( c1*e_1_2_3 &
39588 +c3*e_2_2_3&
39589 +6*e_3_2_3 &
39590 -6*e_2_2_2)
39591 e_3_3_3 = zeta*( c1*e_2_2_3 &
39592 +c2*e_3_2_3&
39593 +8*e_4_2_3 &
39594 -4*e_3_1_3)
39595 e_3_2_4 = zetb*( c1*e_2_2_3 &
39596 +c3*e_3_2_3&
39597 +8*e_4_2_3 &
39598 -6*e_3_2_2)
39599 e_4_3_3 = zeta*( c1*e_3_2_3 &
39600 +c2*e_4_2_3&
39601 +10*e_5_2_3 &
39602 -4*e_4_1_3)
39603 e_4_2_4 = zetb*( c1*e_3_2_3 &
39604 +c3*e_4_2_3&
39605 +10*e_5_2_3 &
39606 -6*e_4_2_2)
39607 e_5_3_3 = zeta*( c1*e_4_2_3 &
39608 +c2*e_5_2_3&
39609
39610 )
39611 e_5_2_4 = zetb*( c1*e_4_2_3 &
39612 +c3*e_5_2_3&
39613
39614 )
39615 e_6_3_3 = zeta*( c1*e_5_2_3 &
39616
39617
39618 )
39619 e_6_2_4 = zetb*( c1*e_5_2_3 &
39620
39621
39622 )
39623 e_0_3_4 = zetb*( &
39624 +c3*e_0_3_3&
39625 +2*e_1_3_3 &
39626 -6*e_0_3_2)
39627 e_1_3_4 = zetb*( c1*e_0_3_3 &
39628 +c3*e_1_3_3&
39629 +4*e_2_3_3 &
39630 -6*e_1_3_2)
39631 e_2_3_4 = zetb*( c1*e_1_3_3 &
39632 +c3*e_2_3_3&
39633 +6*e_3_3_3 &
39634 -6*e_2_3_2)
39635 e_3_3_4 = zetb*( c1*e_2_3_3 &
39636 +c3*e_3_3_3&
39637 +8*e_4_3_3 &
39638 -6*e_3_3_2)
39639 e_4_3_4 = zetb*( c1*e_3_3_3 &
39640 +c3*e_4_3_3&
39641 +10*e_5_3_3 &
39642 -6*e_4_3_2)
39643 e_5_3_4 = zetb*( c1*e_4_3_3 &
39644 +c3*e_5_3_3&
39645 +12*e_6_3_3 &
39646 -6*e_5_3_2)
39647 e_6_3_4 = zetb*( c1*e_5_3_3 &
39648 +c3*e_6_3_3&
39649
39650 )
39651 e_7_3_4 = zetb*( c1*e_6_3_3 &
39652
39653
39654 )
39655 e_0_1_4 = zeta*( &
39656 +c2*e_0_0_4&
39657 +2*e_1_0_4 &
39658 )
39659 e_1_1_4 = zeta*( c1*e_0_0_4 &
39660 +c2*e_1_0_4&
39661 +4*e_2_0_4 &
39662 )
39663 e_2_1_4 = zeta*( c1*e_1_0_4 &
39664 +c2*e_2_0_4&
39665 +6*e_3_0_4 &
39666 )
39667 e_3_1_4 = zeta*( c1*e_2_0_4 &
39668 +c2*e_3_0_4&
39669 +8*e_4_0_4 &
39670 )
39671 e_4_1_4 = zeta*( c1*e_3_0_4 &
39672 +c2*e_4_0_4&
39673
39674 )
39675 e_5_1_4 = zeta*( c1*e_4_0_4 &
39676
39677
39678 )
39679 e_0_2_4 = zeta*( &
39680 +c2*e_0_1_4&
39681 +2*e_1_1_4 &
39682 -2*e_0_0_4)
39683 e_1_2_4 = zeta*( c1*e_0_1_4 &
39684 +c2*e_1_1_4&
39685 +4*e_2_1_4 &
39686 -2*e_1_0_4)
39687 e_2_2_4 = zeta*( c1*e_1_1_4 &
39688 +c2*e_2_1_4&
39689 +6*e_3_1_4 &
39690 -2*e_2_0_4)
39691 e_3_2_4 = zeta*( c1*e_2_1_4 &
39692 +c2*e_3_1_4&
39693 +8*e_4_1_4 &
39694 -2*e_3_0_4)
39695 e_4_2_4 = zeta*( c1*e_3_1_4 &
39696 +c2*e_4_1_4&
39697 +10*e_5_1_4 &
39698 -2*e_4_0_4)
39699 e_5_2_4 = zeta*( c1*e_4_1_4 &
39700 +c2*e_5_1_4&
39701
39702 )
39703 e_6_2_4 = zeta*( c1*e_5_1_4 &
39704
39705
39706 )
39707 e_0_3_4 = zeta*( &
39708 +c2*e_0_2_4&
39709 +2*e_1_2_4 &
39710 -4*e_0_1_4)
39711 e_1_3_4 = zeta*( c1*e_0_2_4 &
39712 +c2*e_1_2_4&
39713 +4*e_2_2_4 &
39714 -4*e_1_1_4)
39715 e_2_3_4 = zeta*( c1*e_1_2_4 &
39716 +c2*e_2_2_4&
39717 +6*e_3_2_4 &
39718 -4*e_2_1_4)
39719 e_3_3_4 = zeta*( c1*e_2_2_4 &
39720 +c2*e_3_2_4&
39721 +8*e_4_2_4 &
39722 -4*e_3_1_4)
39723 e_4_3_4 = zeta*( c1*e_3_2_4 &
39724 +c2*e_4_2_4&
39725 +10*e_5_2_4 &
39726 -4*e_4_1_4)
39727 e_5_3_4 = zeta*( c1*e_4_2_4 &
39728 +c2*e_5_2_4&
39729 +12*e_6_2_4 &
39730 -4*e_5_1_4)
39731 e_6_3_4 = zeta*( c1*e_5_2_4 &
39732 +c2*e_6_2_4&
39733
39734 )
39735 e_7_3_4 = zeta*( c1*e_6_2_4 &
39736
39737
39738 )
39739
39740 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
39741 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
39742 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
39743 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
39744 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
39745 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
39746 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
39747 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
39748 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
39749 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
39750 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
39751 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
39752 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
39753 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
39754 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
39755 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
39756 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
39757 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
39758 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
39759 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
39760 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
39761 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
39762 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
39763 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
39764 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
39765 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
39766 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
39767 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
39768 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
39769 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
39770 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
39771 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
39772 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
39773 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
39774 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
39775 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
39776 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
39777 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
39778 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
39779 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
39780 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
39781 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
39782 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
39783 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
39784 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
39785 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
39786 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
39787 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
39788 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
39789 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
39790 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
39791 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
39792 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
39793 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
39794 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
39795 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
39796 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
39797 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
39798 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
39799 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
39800 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
39801 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
39802 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
39803 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
39804 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
39805 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
39806 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
39807 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
39808 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
39809 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
39810 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
39811 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
39812 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
39813 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
39814 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
39815 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
39816 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
39817 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
39818 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
39819 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
39820 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
39821 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
39822 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
39823 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
39824 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
39825 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
39826 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
39827 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
39828 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
39829 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
39830 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
39831 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
39832 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
39833 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
39834 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
39835 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
39836 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
39837 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
39838 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
39839 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
39840 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
39841 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
39842 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
39843 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
39844 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
39845 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
39846 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
39847 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
39848 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
39849 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
39850 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
39851 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
39852 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
39853 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
39854 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
39855 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
39856 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
39857 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
39858 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
39859 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
39860 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
39861 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
39862 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
39863 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
39864 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
39865 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
39866 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
39867 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
39868 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
39869 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
39870 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
39871 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
39872 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
39873 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
39874 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
39875 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
39876 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
39877 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
39878 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
39879 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
39880 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
39881 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
39882 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
39883 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
39884 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
39885 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
39886 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
39887 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
39888 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
39889 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
39890 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
39891 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
39892 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
39893 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
39894 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
39895 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
39896 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
39897 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
39898 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
39899 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
39900 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
39901 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
39902 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
39903 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
39904 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
39905 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
39906 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
39907 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
39908 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
39909 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
39910 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
39911 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
39912 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
39913 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
39914 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
39915 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
39916 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
39917 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
39918 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
39919 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
39920 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
39921 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
39922 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
39923 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
39924 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
39925 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
39926 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
39927 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
39928 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
39929 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
39930 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
39931 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
39932 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
39933 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
39934 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
39935 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
39936 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
39937 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
39938 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
39939 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
39940 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
39941 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
39942 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
39943 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
39944 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
39945 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
39946 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
39947 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
39948 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
39949 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
39950 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
39951 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
39952 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
39953 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
39954 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
39955 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
39956 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
39957 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
39958 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
39959 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
39960 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
39961 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
39962 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
39963 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
39964 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
39965 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
39966 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
39967 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
39968 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
39969 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
39970 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
39971 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
39972 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
39973 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
39974 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
39975 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
39976 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
39977 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
39978 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
39979 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
39980 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
39981 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
39982 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
39983 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
39984 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
39985 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
39986 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
39987 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
39988 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
39989 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
39990 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
39991 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
39992 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
39993 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
39994 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
39995 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
39996 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
39997 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
39998 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
39999 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
40000 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
40001 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
40002 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
40003 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
40004 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
40005 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
40006 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
40007 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
40008 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
40009 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
40010 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
40011 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
40012 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
40013 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40014 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
40015 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
40016 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40017 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40018 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
40019 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
40020 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
40021 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
40022 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
40023 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
40024 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
40025 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
40026 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
40027 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
40028 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
40029 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
40030 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
40031 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
40032 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
40033 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
40034 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
40035 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
40036 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
40037 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
40038 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
40039 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
40040 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
40041 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
40042 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
40043 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
40044 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
40045 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
40046 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
40047 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
40048 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
40049 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
40050 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
40051 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
40052 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
40053 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
40054 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
40055 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
40056 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
40057 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
40058 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
40059 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
40060 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
40061 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
40062 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
40063 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
40064 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
40065 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
40066 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
40067 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
40068 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
40069 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
40070 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
40071 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
40072 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
40073 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
40074 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
40075 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
40076 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
40077 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
40078 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
40079 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
40080 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
40081 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
40082 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
40083 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
40084 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
40085 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
40086 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
40087 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
40088 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
40089 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
40090 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
40091 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
40092 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
40093 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
40094 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
40095 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
40096 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
40097 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
40098 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
40099 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
40100 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
40101 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
40102 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
40103 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
40104 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
40105 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
40106 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
40107 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
40108 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
40109 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
40110 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
40111 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
40112 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
40113 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
40114 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
40115 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
40116 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
40117 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
40118 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
40119 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
40120 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
40121 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
40122 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
40123 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
40124 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
40125 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
40126 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
40127 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
40128 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
40129 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
40130 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
40131 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
40132 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
40133 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
40134 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
40135 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
40136 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
40137 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
40138 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
40139 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
40140 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
40141 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
40142 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
40143 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
40144 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
40145 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
40146 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
40147 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
40148 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
40149 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
40150 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
40151 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
40152 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
40153 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
40154 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
40155 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
40156 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
40157 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
40158 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
40159 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
40160 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
40161 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
40162 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
40163 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
40164 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
40165 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
40166 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
40167 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
40168 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
40169 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
40170 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
40171 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
40172 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
40173 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
40174 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
40175 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
40176 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
40177 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
40178 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
40179 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
40180 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
40181 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
40182 s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
40183 s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
40184 s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
40185 s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
40186 s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
40187 s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
40188 s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
40189 s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
40190 r1 = r1 + dr
40191 END DO
40192
40193 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40194 END SUBROUTINE
40195 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_0_exp_0 ( &
40196 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40197 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40198 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40199 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40200 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40201 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40202 r_pow_t, r_tmp, rr1_delta, rr2_delta
40203
40204 REAL(kind=dp) :: c1, c2, c3
40205 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
40206 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
40207 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40208 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
40209 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40210 & e_2_4_0, e_3_4_0, e_4_4_0
40211
40212
40213 dr = lgth
40214 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40215
40216 s_r(:, :, :) = 0.0_dp
40217
40218 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40219
40220 h_to_c_0_0 = sqrt(alpha/pi)
40221
40222 h_to_c_0_1 = 0.0_dp
40223 h_to_c_1_1 = +2*alpha*h_to_c_0_0
40224 h_to_c_0_2 = -1*h_to_c_1_1
40225 h_to_c_1_2 = +2*alpha*h_to_c_0_1
40226 h_to_c_2_2 = +2*alpha*h_to_c_1_1
40227 h_to_c_0_3 = -1*h_to_c_1_2
40228 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40229 h_to_c_2_3 = +2*alpha*h_to_c_1_2
40230 h_to_c_3_3 = +2*alpha*h_to_c_2_2
40231 h_to_c_0_4 = -1*h_to_c_1_3
40232 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40233 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40234 h_to_c_3_4 = +2*alpha*h_to_c_2_3
40235 h_to_c_4_4 = +2*alpha*h_to_c_3_3
40236
40237
40238 rr1_delta = (ra - rb)/dr
40239
40240 rr1_l = ceiling(-r_c(1) + rr1_delta)
40241 rr1_r = floor(r_c(1) + rr1_delta)
40242
40243 r1 = rr1_l*dr
40244
40245 alpha_e = zeta*zetb/(zeta + zetb)
40246
40247 DO rr1 = rr1_l, rr1_r
40248 s_r_t_0 = 0.0_dp
40249 s_r_t2_0 = 0.0_dp
40250 s_r_t_1 = 0.0_dp
40251 s_r_t2_1 = 0.0_dp
40252 s_r_t_2 = 0.0_dp
40253 s_r_t2_2 = 0.0_dp
40254 s_r_t_3 = 0.0_dp
40255 s_r_t2_3 = 0.0_dp
40256 s_r_t_4 = 0.0_dp
40257 s_r_t2_4 = 0.0_dp
40258 r_tmp = r_offset + r1*zeta/(zeta + zetb)
40259 rr2_delta = -r_tmp/dr
40260
40261 rr2_l = ceiling(-r_c(2) + rr2_delta)
40262 rr2_r = floor(r_c(2) + rr2_delta)
40263
40264 r = r_tmp + (rr2_l)*dr
40265
40266
40267 DO rr2 = rr2_l, rr2_r
40268 r_pow_t = 1.0_dp
40269 exp2_rsq = exp(-alpha*r*r)
40270 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40271 r_pow_t = r_pow_t*r
40272 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40273 r_pow_t = r_pow_t*r
40274 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40275 r_pow_t = r_pow_t*r
40276 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40277 r_pow_t = r_pow_t*r
40278 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40279
40280 r = r + dr
40281 END DO
40282
40283 ! C --> H
40284 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40285 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40286 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40287 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40288 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40289 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40290 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40291 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40292 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40293 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40294 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40295 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40296 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40297 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40298 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40299
40300 ! H --> HH
40301 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40302
40303 c1 = 1.0_dp/(zeta + zetb)
40304 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40305 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40306
40307 e_0_1_0 = zeta*( &
40308 +c2*e_0_0_0&
40309
40310 )
40311 e_1_1_0 = zeta*( c1*e_0_0_0 &
40312
40313
40314 )
40315 e_0_2_0 = zeta*( &
40316 +c2*e_0_1_0&
40317 +2*e_1_1_0 &
40318 -2*e_0_0_0)
40319 e_1_2_0 = zeta*( c1*e_0_1_0 &
40320 +c2*e_1_1_0&
40321
40322 )
40323 e_2_2_0 = zeta*( c1*e_1_1_0 &
40324
40325
40326 )
40327 e_0_3_0 = zeta*( &
40328 +c2*e_0_2_0&
40329 +2*e_1_2_0 &
40330 -4*e_0_1_0)
40331 e_1_3_0 = zeta*( c1*e_0_2_0 &
40332 +c2*e_1_2_0&
40333 +4*e_2_2_0 &
40334 -4*e_1_1_0)
40335 e_2_3_0 = zeta*( c1*e_1_2_0 &
40336 +c2*e_2_2_0&
40337
40338 )
40339 e_3_3_0 = zeta*( c1*e_2_2_0 &
40340
40341
40342 )
40343 e_0_4_0 = zeta*( &
40344 +c2*e_0_3_0&
40345 +2*e_1_3_0 &
40346 -6*e_0_2_0)
40347 e_1_4_0 = zeta*( c1*e_0_3_0 &
40348 +c2*e_1_3_0&
40349 +4*e_2_3_0 &
40350 -6*e_1_2_0)
40351 e_2_4_0 = zeta*( c1*e_1_3_0 &
40352 +c2*e_2_3_0&
40353 +6*e_3_3_0 &
40354 -6*e_2_2_0)
40355 e_3_4_0 = zeta*( c1*e_2_3_0 &
40356 +c2*e_3_3_0&
40357
40358 )
40359 e_4_4_0 = zeta*( c1*e_3_3_0 &
40360
40361
40362 )
40363
40364 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40365 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40366 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40367 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40368 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40369 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40370 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40371 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40372 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40373 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40374 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40375 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40376 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40377 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40378 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40379 r1 = r1 + dr
40380 END DO
40381
40382 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40383 END SUBROUTINE
40384 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_1_exp_0 ( &
40385 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40386 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40387 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40388 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40389 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40390 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40391 r_pow_t, r_tmp, rr1_delta, rr2_delta
40392
40393 REAL(kind=dp) :: c1, c2, c3
40394 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
40395 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
40396 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40397 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40398 & h_to_c_4_5, h_to_c_5_5
40399 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40400 & e_2_4_0, e_3_4_0, e_4_4_0
40401
40402
40403 dr = lgth
40404 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40405
40406 s_r(:, :, :) = 0.0_dp
40407
40408 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40409
40410 h_to_c_0_0 = sqrt(alpha/pi)
40411
40412 h_to_c_0_1 = 0.0_dp
40413 h_to_c_1_1 = +2*alpha*h_to_c_0_0
40414 h_to_c_0_2 = -1*h_to_c_1_1
40415 h_to_c_1_2 = +2*alpha*h_to_c_0_1
40416 h_to_c_2_2 = +2*alpha*h_to_c_1_1
40417 h_to_c_0_3 = -1*h_to_c_1_2
40418 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40419 h_to_c_2_3 = +2*alpha*h_to_c_1_2
40420 h_to_c_3_3 = +2*alpha*h_to_c_2_2
40421 h_to_c_0_4 = -1*h_to_c_1_3
40422 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40423 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40424 h_to_c_3_4 = +2*alpha*h_to_c_2_3
40425 h_to_c_4_4 = +2*alpha*h_to_c_3_3
40426 h_to_c_0_5 = -1*h_to_c_1_4
40427 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40428 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40429 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40430 h_to_c_4_5 = +2*alpha*h_to_c_3_4
40431 h_to_c_5_5 = +2*alpha*h_to_c_4_4
40432
40433
40434 rr1_delta = (ra - rb)/dr
40435
40436 rr1_l = ceiling(-r_c(1) + rr1_delta)
40437 rr1_r = floor(r_c(1) + rr1_delta)
40438
40439 r1 = rr1_l*dr
40440
40441 alpha_e = zeta*zetb/(zeta + zetb)
40442
40443 DO rr1 = rr1_l, rr1_r
40444 s_r_t_0 = 0.0_dp
40445 s_r_t2_0 = 0.0_dp
40446 s_r_t_1 = 0.0_dp
40447 s_r_t2_1 = 0.0_dp
40448 s_r_t_2 = 0.0_dp
40449 s_r_t2_2 = 0.0_dp
40450 s_r_t_3 = 0.0_dp
40451 s_r_t2_3 = 0.0_dp
40452 s_r_t_4 = 0.0_dp
40453 s_r_t2_4 = 0.0_dp
40454 s_r_t_5 = 0.0_dp
40455 s_r_t2_5 = 0.0_dp
40456 r_tmp = r_offset + r1*zeta/(zeta + zetb)
40457 rr2_delta = -r_tmp/dr
40458
40459 rr2_l = ceiling(-r_c(2) + rr2_delta)
40460 rr2_r = floor(r_c(2) + rr2_delta)
40461
40462 r = r_tmp + (rr2_l)*dr
40463
40464
40465 DO rr2 = rr2_l, rr2_r
40466 r_pow_t = 1.0_dp
40467 exp2_rsq = exp(-alpha*r*r)
40468 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40469 r_pow_t = r_pow_t*r
40470 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40471 r_pow_t = r_pow_t*r
40472 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40473 r_pow_t = r_pow_t*r
40474 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40475 r_pow_t = r_pow_t*r
40476 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40477 r_pow_t = r_pow_t*r
40478 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40479
40480 r = r + dr
40481 END DO
40482
40483 ! C --> H
40484 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40485 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40486 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40487 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40488 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40489 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40490 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40491 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40492 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40493 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40494 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40495 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40496 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40497 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40498 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40499 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40500 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
40501 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
40502 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
40503 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
40504 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
40505
40506 ! H --> HH
40507 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40508
40509 c1 = 1.0_dp/(zeta + zetb)
40510 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40511 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40512
40513 e_0_1_0 = zeta*( &
40514 +c2*e_0_0_0&
40515
40516 )
40517 e_1_1_0 = zeta*( c1*e_0_0_0 &
40518
40519
40520 )
40521 e_0_2_0 = zeta*( &
40522 +c2*e_0_1_0&
40523 +2*e_1_1_0 &
40524 -2*e_0_0_0)
40525 e_1_2_0 = zeta*( c1*e_0_1_0 &
40526 +c2*e_1_1_0&
40527
40528 )
40529 e_2_2_0 = zeta*( c1*e_1_1_0 &
40530
40531
40532 )
40533 e_0_3_0 = zeta*( &
40534 +c2*e_0_2_0&
40535 +2*e_1_2_0 &
40536 -4*e_0_1_0)
40537 e_1_3_0 = zeta*( c1*e_0_2_0 &
40538 +c2*e_1_2_0&
40539 +4*e_2_2_0 &
40540 -4*e_1_1_0)
40541 e_2_3_0 = zeta*( c1*e_1_2_0 &
40542 +c2*e_2_2_0&
40543
40544 )
40545 e_3_3_0 = zeta*( c1*e_2_2_0 &
40546
40547
40548 )
40549 e_0_4_0 = zeta*( &
40550 +c2*e_0_3_0&
40551 +2*e_1_3_0 &
40552 -6*e_0_2_0)
40553 e_1_4_0 = zeta*( c1*e_0_3_0 &
40554 +c2*e_1_3_0&
40555 +4*e_2_3_0 &
40556 -6*e_1_2_0)
40557 e_2_4_0 = zeta*( c1*e_1_3_0 &
40558 +c2*e_2_3_0&
40559 +6*e_3_3_0 &
40560 -6*e_2_2_0)
40561 e_3_4_0 = zeta*( c1*e_2_3_0 &
40562 +c2*e_3_3_0&
40563
40564 )
40565 e_4_4_0 = zeta*( c1*e_3_3_0 &
40566
40567
40568 )
40569
40570 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40571 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40572 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40573 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40574 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40575 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40576 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40577 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40578 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40579 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40580 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40581 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40582 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40583 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40584 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40585 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
40586 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
40587 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
40588 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
40589 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
40590 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40591 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
40592 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
40593 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40594 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40595 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
40596 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
40597 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
40598 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
40599 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
40600 r1 = r1 + dr
40601 END DO
40602
40603 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40604 END SUBROUTINE
40605 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_2_exp_0 ( &
40606 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40607 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40608 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40609 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40610 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40611 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40612 r_pow_t, r_tmp, rr1_delta, rr2_delta
40613
40614 REAL(kind=dp) :: c1, c2, c3
40615 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
40616 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
40617 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40618 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40619 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
40620 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40621 & e_2_4_0, e_3_4_0, e_4_4_0
40622
40623
40624 dr = lgth
40625 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40626
40627 s_r(:, :, :) = 0.0_dp
40628
40629 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40630
40631 h_to_c_0_0 = sqrt(alpha/pi)
40632
40633 h_to_c_0_1 = 0.0_dp
40634 h_to_c_1_1 = +2*alpha*h_to_c_0_0
40635 h_to_c_0_2 = -1*h_to_c_1_1
40636 h_to_c_1_2 = +2*alpha*h_to_c_0_1
40637 h_to_c_2_2 = +2*alpha*h_to_c_1_1
40638 h_to_c_0_3 = -1*h_to_c_1_2
40639 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40640 h_to_c_2_3 = +2*alpha*h_to_c_1_2
40641 h_to_c_3_3 = +2*alpha*h_to_c_2_2
40642 h_to_c_0_4 = -1*h_to_c_1_3
40643 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40644 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40645 h_to_c_3_4 = +2*alpha*h_to_c_2_3
40646 h_to_c_4_4 = +2*alpha*h_to_c_3_3
40647 h_to_c_0_5 = -1*h_to_c_1_4
40648 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40649 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40650 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40651 h_to_c_4_5 = +2*alpha*h_to_c_3_4
40652 h_to_c_5_5 = +2*alpha*h_to_c_4_4
40653 h_to_c_0_6 = -1*h_to_c_1_5
40654 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
40655 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
40656 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
40657 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
40658 h_to_c_5_6 = +2*alpha*h_to_c_4_5
40659 h_to_c_6_6 = +2*alpha*h_to_c_5_5
40660
40661
40662 rr1_delta = (ra - rb)/dr
40663
40664 rr1_l = ceiling(-r_c(1) + rr1_delta)
40665 rr1_r = floor(r_c(1) + rr1_delta)
40666
40667 r1 = rr1_l*dr
40668
40669 alpha_e = zeta*zetb/(zeta + zetb)
40670
40671 DO rr1 = rr1_l, rr1_r
40672 s_r_t_0 = 0.0_dp
40673 s_r_t2_0 = 0.0_dp
40674 s_r_t_1 = 0.0_dp
40675 s_r_t2_1 = 0.0_dp
40676 s_r_t_2 = 0.0_dp
40677 s_r_t2_2 = 0.0_dp
40678 s_r_t_3 = 0.0_dp
40679 s_r_t2_3 = 0.0_dp
40680 s_r_t_4 = 0.0_dp
40681 s_r_t2_4 = 0.0_dp
40682 s_r_t_5 = 0.0_dp
40683 s_r_t2_5 = 0.0_dp
40684 s_r_t_6 = 0.0_dp
40685 s_r_t2_6 = 0.0_dp
40686 r_tmp = r_offset + r1*zeta/(zeta + zetb)
40687 rr2_delta = -r_tmp/dr
40688
40689 rr2_l = ceiling(-r_c(2) + rr2_delta)
40690 rr2_r = floor(r_c(2) + rr2_delta)
40691
40692 r = r_tmp + (rr2_l)*dr
40693
40694
40695 DO rr2 = rr2_l, rr2_r
40696 r_pow_t = 1.0_dp
40697 exp2_rsq = exp(-alpha*r*r)
40698 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40699 r_pow_t = r_pow_t*r
40700 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40701 r_pow_t = r_pow_t*r
40702 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40703 r_pow_t = r_pow_t*r
40704 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40705 r_pow_t = r_pow_t*r
40706 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40707 r_pow_t = r_pow_t*r
40708 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40709 r_pow_t = r_pow_t*r
40710 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
40711
40712 r = r + dr
40713 END DO
40714
40715 ! C --> H
40716 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40717 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40718 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40719 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40720 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40721 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40722 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40723 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40724 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40725 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40726 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40727 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40728 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40729 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40730 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40731 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40732 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
40733 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
40734 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
40735 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
40736 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
40737 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
40738 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
40739 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
40740 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
40741 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
40742 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
40743 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
40744
40745 ! H --> HH
40746 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40747
40748 c1 = 1.0_dp/(zeta + zetb)
40749 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40750 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40751
40752 e_0_1_0 = zeta*( &
40753 +c2*e_0_0_0&
40754
40755 )
40756 e_1_1_0 = zeta*( c1*e_0_0_0 &
40757
40758
40759 )
40760 e_0_2_0 = zeta*( &
40761 +c2*e_0_1_0&
40762 +2*e_1_1_0 &
40763 -2*e_0_0_0)
40764 e_1_2_0 = zeta*( c1*e_0_1_0 &
40765 +c2*e_1_1_0&
40766
40767 )
40768 e_2_2_0 = zeta*( c1*e_1_1_0 &
40769
40770
40771 )
40772 e_0_3_0 = zeta*( &
40773 +c2*e_0_2_0&
40774 +2*e_1_2_0 &
40775 -4*e_0_1_0)
40776 e_1_3_0 = zeta*( c1*e_0_2_0 &
40777 +c2*e_1_2_0&
40778 +4*e_2_2_0 &
40779 -4*e_1_1_0)
40780 e_2_3_0 = zeta*( c1*e_1_2_0 &
40781 +c2*e_2_2_0&
40782
40783 )
40784 e_3_3_0 = zeta*( c1*e_2_2_0 &
40785
40786
40787 )
40788 e_0_4_0 = zeta*( &
40789 +c2*e_0_3_0&
40790 +2*e_1_3_0 &
40791 -6*e_0_2_0)
40792 e_1_4_0 = zeta*( c1*e_0_3_0 &
40793 +c2*e_1_3_0&
40794 +4*e_2_3_0 &
40795 -6*e_1_2_0)
40796 e_2_4_0 = zeta*( c1*e_1_3_0 &
40797 +c2*e_2_3_0&
40798 +6*e_3_3_0 &
40799 -6*e_2_2_0)
40800 e_3_4_0 = zeta*( c1*e_2_3_0 &
40801 +c2*e_3_3_0&
40802
40803 )
40804 e_4_4_0 = zeta*( c1*e_3_3_0 &
40805
40806
40807 )
40808
40809 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40810 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40811 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40812 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40813 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40814 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40815 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40816 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40817 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40818 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40819 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40820 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40821 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40822 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40823 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40824 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
40825 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
40826 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
40827 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
40828 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
40829 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40830 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
40831 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
40832 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40833 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40834 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
40835 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
40836 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
40837 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
40838 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
40839 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
40840 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
40841 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
40842 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40843 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
40844 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
40845 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40846 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40847 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
40848 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
40849 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40850 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40851 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40852 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
40853 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
40854 r1 = r1 + dr
40855 END DO
40856
40857 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40858 END SUBROUTINE
40859 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_3_exp_0 ( &
40860 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40861 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40862 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40863 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40864 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40865 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40866 r_pow_t, r_tmp, rr1_delta, rr2_delta
40867
40868 REAL(kind=dp) :: c1, c2, c3
40869 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
40870 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
40871 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40872 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40873 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
40874 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
40875 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40876 & e_2_4_0, e_3_4_0, e_4_4_0
40877
40878
40879 dr = lgth
40880 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40881
40882 s_r(:, :, :) = 0.0_dp
40883
40884 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40885
40886 h_to_c_0_0 = sqrt(alpha/pi)
40887
40888 h_to_c_0_1 = 0.0_dp
40889 h_to_c_1_1 = +2*alpha*h_to_c_0_0
40890 h_to_c_0_2 = -1*h_to_c_1_1
40891 h_to_c_1_2 = +2*alpha*h_to_c_0_1
40892 h_to_c_2_2 = +2*alpha*h_to_c_1_1
40893 h_to_c_0_3 = -1*h_to_c_1_2
40894 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40895 h_to_c_2_3 = +2*alpha*h_to_c_1_2
40896 h_to_c_3_3 = +2*alpha*h_to_c_2_2
40897 h_to_c_0_4 = -1*h_to_c_1_3
40898 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40899 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40900 h_to_c_3_4 = +2*alpha*h_to_c_2_3
40901 h_to_c_4_4 = +2*alpha*h_to_c_3_3
40902 h_to_c_0_5 = -1*h_to_c_1_4
40903 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40904 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40905 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40906 h_to_c_4_5 = +2*alpha*h_to_c_3_4
40907 h_to_c_5_5 = +2*alpha*h_to_c_4_4
40908 h_to_c_0_6 = -1*h_to_c_1_5
40909 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
40910 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
40911 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
40912 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
40913 h_to_c_5_6 = +2*alpha*h_to_c_4_5
40914 h_to_c_6_6 = +2*alpha*h_to_c_5_5
40915 h_to_c_0_7 = -1*h_to_c_1_6
40916 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
40917 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
40918 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
40919 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
40920 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
40921 h_to_c_6_7 = +2*alpha*h_to_c_5_6
40922 h_to_c_7_7 = +2*alpha*h_to_c_6_6
40923
40924
40925 rr1_delta = (ra - rb)/dr
40926
40927 rr1_l = ceiling(-r_c(1) + rr1_delta)
40928 rr1_r = floor(r_c(1) + rr1_delta)
40929
40930 r1 = rr1_l*dr
40931
40932 alpha_e = zeta*zetb/(zeta + zetb)
40933
40934 DO rr1 = rr1_l, rr1_r
40935 s_r_t_0 = 0.0_dp
40936 s_r_t2_0 = 0.0_dp
40937 s_r_t_1 = 0.0_dp
40938 s_r_t2_1 = 0.0_dp
40939 s_r_t_2 = 0.0_dp
40940 s_r_t2_2 = 0.0_dp
40941 s_r_t_3 = 0.0_dp
40942 s_r_t2_3 = 0.0_dp
40943 s_r_t_4 = 0.0_dp
40944 s_r_t2_4 = 0.0_dp
40945 s_r_t_5 = 0.0_dp
40946 s_r_t2_5 = 0.0_dp
40947 s_r_t_6 = 0.0_dp
40948 s_r_t2_6 = 0.0_dp
40949 s_r_t_7 = 0.0_dp
40950 s_r_t2_7 = 0.0_dp
40951 r_tmp = r_offset + r1*zeta/(zeta + zetb)
40952 rr2_delta = -r_tmp/dr
40953
40954 rr2_l = ceiling(-r_c(2) + rr2_delta)
40955 rr2_r = floor(r_c(2) + rr2_delta)
40956
40957 r = r_tmp + (rr2_l)*dr
40958
40959
40960 DO rr2 = rr2_l, rr2_r
40961 r_pow_t = 1.0_dp
40962 exp2_rsq = exp(-alpha*r*r)
40963 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40964 r_pow_t = r_pow_t*r
40965 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40966 r_pow_t = r_pow_t*r
40967 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40968 r_pow_t = r_pow_t*r
40969 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40970 r_pow_t = r_pow_t*r
40971 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40972 r_pow_t = r_pow_t*r
40973 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40974 r_pow_t = r_pow_t*r
40975 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
40976 r_pow_t = r_pow_t*r
40977 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
40978
40979 r = r + dr
40980 END DO
40981
40982 ! C --> H
40983 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40984 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40985 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40986 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40987 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40988 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40989 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40990 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40991 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40992 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40993 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40994 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40995 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40996 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40997 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40998 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40999 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41000 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41001 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41002 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41003 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41004 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41005 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41006 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41007 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41008 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41009 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41010 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41011 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
41012 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
41013 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
41014 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
41015 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
41016 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
41017 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
41018 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
41019
41020 ! H --> HH
41021 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41022
41023 c1 = 1.0_dp/(zeta + zetb)
41024 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41025 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41026
41027 e_0_1_0 = zeta*( &
41028 +c2*e_0_0_0&
41029
41030 )
41031 e_1_1_0 = zeta*( c1*e_0_0_0 &
41032
41033
41034 )
41035 e_0_2_0 = zeta*( &
41036 +c2*e_0_1_0&
41037 +2*e_1_1_0 &
41038 -2*e_0_0_0)
41039 e_1_2_0 = zeta*( c1*e_0_1_0 &
41040 +c2*e_1_1_0&
41041
41042 )
41043 e_2_2_0 = zeta*( c1*e_1_1_0 &
41044
41045
41046 )
41047 e_0_3_0 = zeta*( &
41048 +c2*e_0_2_0&
41049 +2*e_1_2_0 &
41050 -4*e_0_1_0)
41051 e_1_3_0 = zeta*( c1*e_0_2_0 &
41052 +c2*e_1_2_0&
41053 +4*e_2_2_0 &
41054 -4*e_1_1_0)
41055 e_2_3_0 = zeta*( c1*e_1_2_0 &
41056 +c2*e_2_2_0&
41057
41058 )
41059 e_3_3_0 = zeta*( c1*e_2_2_0 &
41060
41061
41062 )
41063 e_0_4_0 = zeta*( &
41064 +c2*e_0_3_0&
41065 +2*e_1_3_0 &
41066 -6*e_0_2_0)
41067 e_1_4_0 = zeta*( c1*e_0_3_0 &
41068 +c2*e_1_3_0&
41069 +4*e_2_3_0 &
41070 -6*e_1_2_0)
41071 e_2_4_0 = zeta*( c1*e_1_3_0 &
41072 +c2*e_2_3_0&
41073 +6*e_3_3_0 &
41074 -6*e_2_2_0)
41075 e_3_4_0 = zeta*( c1*e_2_3_0 &
41076 +c2*e_3_3_0&
41077
41078 )
41079 e_4_4_0 = zeta*( c1*e_3_3_0 &
41080
41081
41082 )
41083
41084 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41085 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41086 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41087 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41088 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41089 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41090 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41091 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41092 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41093 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41094 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41095 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41096 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41097 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41098 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41099 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
41100 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
41101 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
41102 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
41103 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
41104 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41105 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
41106 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
41107 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41108 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41109 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
41110 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
41111 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41112 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41113 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41114 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
41115 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
41116 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
41117 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41118 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
41119 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41120 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41121 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41122 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41123 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41124 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41125 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41126 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41127 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41128 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41129 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
41130 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
41131 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
41132 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41133 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
41134 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
41135 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41136 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41137 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
41138 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
41139 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41140 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41141 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41142 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
41143 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
41144 r1 = r1 + dr
41145 END DO
41146
41147 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41148 END SUBROUTINE
41149 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_4_exp_0 ( &
41150 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41151 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41152 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41153 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41154 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41155 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41156 r_pow_t, r_tmp, rr1_delta, rr2_delta
41157
41158 REAL(kind=dp) :: c1, c2, c3
41159 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
41160 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
41161 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41162 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41163 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
41164 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
41165 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
41166 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41167 & e_2_4_0, e_3_4_0, e_4_4_0
41168
41169
41170 dr = lgth
41171 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41172
41173 s_r(:, :, :) = 0.0_dp
41174
41175 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41176
41177 h_to_c_0_0 = sqrt(alpha/pi)
41178
41179 h_to_c_0_1 = 0.0_dp
41180 h_to_c_1_1 = +2*alpha*h_to_c_0_0
41181 h_to_c_0_2 = -1*h_to_c_1_1
41182 h_to_c_1_2 = +2*alpha*h_to_c_0_1
41183 h_to_c_2_2 = +2*alpha*h_to_c_1_1
41184 h_to_c_0_3 = -1*h_to_c_1_2
41185 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41186 h_to_c_2_3 = +2*alpha*h_to_c_1_2
41187 h_to_c_3_3 = +2*alpha*h_to_c_2_2
41188 h_to_c_0_4 = -1*h_to_c_1_3
41189 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41190 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41191 h_to_c_3_4 = +2*alpha*h_to_c_2_3
41192 h_to_c_4_4 = +2*alpha*h_to_c_3_3
41193 h_to_c_0_5 = -1*h_to_c_1_4
41194 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41195 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41196 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41197 h_to_c_4_5 = +2*alpha*h_to_c_3_4
41198 h_to_c_5_5 = +2*alpha*h_to_c_4_4
41199 h_to_c_0_6 = -1*h_to_c_1_5
41200 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
41201 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
41202 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
41203 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
41204 h_to_c_5_6 = +2*alpha*h_to_c_4_5
41205 h_to_c_6_6 = +2*alpha*h_to_c_5_5
41206 h_to_c_0_7 = -1*h_to_c_1_6
41207 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
41208 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
41209 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
41210 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
41211 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
41212 h_to_c_6_7 = +2*alpha*h_to_c_5_6
41213 h_to_c_7_7 = +2*alpha*h_to_c_6_6
41214 h_to_c_0_8 = -1*h_to_c_1_7
41215 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
41216 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
41217 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
41218 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
41219 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
41220 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
41221 h_to_c_7_8 = +2*alpha*h_to_c_6_7
41222 h_to_c_8_8 = +2*alpha*h_to_c_7_7
41223
41224
41225 rr1_delta = (ra - rb)/dr
41226
41227 rr1_l = ceiling(-r_c(1) + rr1_delta)
41228 rr1_r = floor(r_c(1) + rr1_delta)
41229
41230 r1 = rr1_l*dr
41231
41232 alpha_e = zeta*zetb/(zeta + zetb)
41233
41234 DO rr1 = rr1_l, rr1_r
41235 s_r_t_0 = 0.0_dp
41236 s_r_t2_0 = 0.0_dp
41237 s_r_t_1 = 0.0_dp
41238 s_r_t2_1 = 0.0_dp
41239 s_r_t_2 = 0.0_dp
41240 s_r_t2_2 = 0.0_dp
41241 s_r_t_3 = 0.0_dp
41242 s_r_t2_3 = 0.0_dp
41243 s_r_t_4 = 0.0_dp
41244 s_r_t2_4 = 0.0_dp
41245 s_r_t_5 = 0.0_dp
41246 s_r_t2_5 = 0.0_dp
41247 s_r_t_6 = 0.0_dp
41248 s_r_t2_6 = 0.0_dp
41249 s_r_t_7 = 0.0_dp
41250 s_r_t2_7 = 0.0_dp
41251 s_r_t_8 = 0.0_dp
41252 s_r_t2_8 = 0.0_dp
41253 r_tmp = r_offset + r1*zeta/(zeta + zetb)
41254 rr2_delta = -r_tmp/dr
41255
41256 rr2_l = ceiling(-r_c(2) + rr2_delta)
41257 rr2_r = floor(r_c(2) + rr2_delta)
41258
41259 r = r_tmp + (rr2_l)*dr
41260
41261
41262 DO rr2 = rr2_l, rr2_r
41263 r_pow_t = 1.0_dp
41264 exp2_rsq = exp(-alpha*r*r)
41265 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41266 r_pow_t = r_pow_t*r
41267 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41268 r_pow_t = r_pow_t*r
41269 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41270 r_pow_t = r_pow_t*r
41271 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41272 r_pow_t = r_pow_t*r
41273 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41274 r_pow_t = r_pow_t*r
41275 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41276 r_pow_t = r_pow_t*r
41277 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
41278 r_pow_t = r_pow_t*r
41279 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
41280 r_pow_t = r_pow_t*r
41281 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
41282
41283 r = r + dr
41284 END DO
41285
41286 ! C --> H
41287 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41288 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41289 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41290 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41291 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41292 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41293 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41294 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41295 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41296 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41297 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41298 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41299 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41300 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41301 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41302 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41303 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41304 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41305 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41306 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41307 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41308 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41309 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41310 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41311 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41312 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41313 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41314 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41315 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
41316 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
41317 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
41318 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
41319 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
41320 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
41321 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
41322 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
41323 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
41324 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
41325 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
41326 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
41327 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
41328 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
41329 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
41330 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
41331 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
41332
41333 ! H --> HH
41334 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41335
41336 c1 = 1.0_dp/(zeta + zetb)
41337 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41338 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41339
41340 e_0_1_0 = zeta*( &
41341 +c2*e_0_0_0&
41342
41343 )
41344 e_1_1_0 = zeta*( c1*e_0_0_0 &
41345
41346
41347 )
41348 e_0_2_0 = zeta*( &
41349 +c2*e_0_1_0&
41350 +2*e_1_1_0 &
41351 -2*e_0_0_0)
41352 e_1_2_0 = zeta*( c1*e_0_1_0 &
41353 +c2*e_1_1_0&
41354
41355 )
41356 e_2_2_0 = zeta*( c1*e_1_1_0 &
41357
41358
41359 )
41360 e_0_3_0 = zeta*( &
41361 +c2*e_0_2_0&
41362 +2*e_1_2_0 &
41363 -4*e_0_1_0)
41364 e_1_3_0 = zeta*( c1*e_0_2_0 &
41365 +c2*e_1_2_0&
41366 +4*e_2_2_0 &
41367 -4*e_1_1_0)
41368 e_2_3_0 = zeta*( c1*e_1_2_0 &
41369 +c2*e_2_2_0&
41370
41371 )
41372 e_3_3_0 = zeta*( c1*e_2_2_0 &
41373
41374
41375 )
41376 e_0_4_0 = zeta*( &
41377 +c2*e_0_3_0&
41378 +2*e_1_3_0 &
41379 -6*e_0_2_0)
41380 e_1_4_0 = zeta*( c1*e_0_3_0 &
41381 +c2*e_1_3_0&
41382 +4*e_2_3_0 &
41383 -6*e_1_2_0)
41384 e_2_4_0 = zeta*( c1*e_1_3_0 &
41385 +c2*e_2_3_0&
41386 +6*e_3_3_0 &
41387 -6*e_2_2_0)
41388 e_3_4_0 = zeta*( c1*e_2_3_0 &
41389 +c2*e_3_3_0&
41390
41391 )
41392 e_4_4_0 = zeta*( c1*e_3_3_0 &
41393
41394
41395 )
41396
41397 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41398 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41399 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41400 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41401 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41402 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41403 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41404 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41405 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41406 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41407 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41408 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41409 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41410 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41411 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41412 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
41413 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
41414 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
41415 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
41416 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
41417 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41418 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
41419 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
41420 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41421 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41422 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
41423 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
41424 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41425 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41426 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41427 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
41428 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
41429 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
41430 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41431 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
41432 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41433 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41434 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41435 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41436 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41437 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41438 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41439 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41440 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41441 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41442 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
41443 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
41444 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
41445 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41446 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
41447 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
41448 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41449 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41450 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
41451 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
41452 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41453 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41454 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41455 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
41456 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
41457 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
41458 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
41459 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
41460 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41461 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
41462 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
41463 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41464 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41465 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
41466 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
41467 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41468 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41469 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41470 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
41471 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
41472 r1 = r1 + dr
41473 END DO
41474
41475 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41476 END SUBROUTINE
41477 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_0_exp_0 ( &
41478 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41479 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41480 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41481 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41482 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41483 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41484 r_pow_t, r_tmp, rr1_delta, rr2_delta
41485
41486 REAL(kind=dp) :: c1, c2, c3
41487 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
41488 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
41489 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41490 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41491 & h_to_c_4_5, h_to_c_5_5
41492 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41493 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
41494 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
41495
41496
41497 dr = lgth
41498 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41499
41500 s_r(:, :, :) = 0.0_dp
41501
41502 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41503
41504 h_to_c_0_0 = sqrt(alpha/pi)
41505
41506 h_to_c_0_1 = 0.0_dp
41507 h_to_c_1_1 = +2*alpha*h_to_c_0_0
41508 h_to_c_0_2 = -1*h_to_c_1_1
41509 h_to_c_1_2 = +2*alpha*h_to_c_0_1
41510 h_to_c_2_2 = +2*alpha*h_to_c_1_1
41511 h_to_c_0_3 = -1*h_to_c_1_2
41512 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41513 h_to_c_2_3 = +2*alpha*h_to_c_1_2
41514 h_to_c_3_3 = +2*alpha*h_to_c_2_2
41515 h_to_c_0_4 = -1*h_to_c_1_3
41516 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41517 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41518 h_to_c_3_4 = +2*alpha*h_to_c_2_3
41519 h_to_c_4_4 = +2*alpha*h_to_c_3_3
41520 h_to_c_0_5 = -1*h_to_c_1_4
41521 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41522 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41523 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41524 h_to_c_4_5 = +2*alpha*h_to_c_3_4
41525 h_to_c_5_5 = +2*alpha*h_to_c_4_4
41526
41527
41528 rr1_delta = (ra - rb)/dr
41529
41530 rr1_l = ceiling(-r_c(1) + rr1_delta)
41531 rr1_r = floor(r_c(1) + rr1_delta)
41532
41533 r1 = rr1_l*dr
41534
41535 alpha_e = zeta*zetb/(zeta + zetb)
41536
41537 DO rr1 = rr1_l, rr1_r
41538 s_r_t_0 = 0.0_dp
41539 s_r_t2_0 = 0.0_dp
41540 s_r_t_1 = 0.0_dp
41541 s_r_t2_1 = 0.0_dp
41542 s_r_t_2 = 0.0_dp
41543 s_r_t2_2 = 0.0_dp
41544 s_r_t_3 = 0.0_dp
41545 s_r_t2_3 = 0.0_dp
41546 s_r_t_4 = 0.0_dp
41547 s_r_t2_4 = 0.0_dp
41548 s_r_t_5 = 0.0_dp
41549 s_r_t2_5 = 0.0_dp
41550 r_tmp = r_offset + r1*zeta/(zeta + zetb)
41551 rr2_delta = -r_tmp/dr
41552
41553 rr2_l = ceiling(-r_c(2) + rr2_delta)
41554 rr2_r = floor(r_c(2) + rr2_delta)
41555
41556 r = r_tmp + (rr2_l)*dr
41557
41558
41559 DO rr2 = rr2_l, rr2_r
41560 r_pow_t = 1.0_dp
41561 exp2_rsq = exp(-alpha*r*r)
41562 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41563 r_pow_t = r_pow_t*r
41564 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41565 r_pow_t = r_pow_t*r
41566 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41567 r_pow_t = r_pow_t*r
41568 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41569 r_pow_t = r_pow_t*r
41570 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41571 r_pow_t = r_pow_t*r
41572 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41573
41574 r = r + dr
41575 END DO
41576
41577 ! C --> H
41578 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41579 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41580 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41581 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41582 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41583 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41584 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41585 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41586 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41587 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41588 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41589 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41590 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41591 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41592 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41593 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41594 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41595 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41596 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41597 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41598 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41599
41600 ! H --> HH
41601 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41602
41603 c1 = 1.0_dp/(zeta + zetb)
41604 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41605 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41606
41607 e_0_1_0 = zeta*( &
41608 +c2*e_0_0_0&
41609
41610 )
41611 e_0_0_1 = zetb*( &
41612 +c3*e_0_0_0&
41613
41614 )
41615 e_1_1_0 = zeta*( c1*e_0_0_0 &
41616
41617
41618 )
41619 e_1_0_1 = zetb*( c1*e_0_0_0 &
41620
41621
41622 )
41623 e_0_2_0 = zeta*( &
41624 +c2*e_0_1_0&
41625 +2*e_1_1_0 &
41626 -2*e_0_0_0)
41627 e_0_1_1 = zetb*( &
41628 +c3*e_0_1_0&
41629 +2*e_1_1_0 &
41630 )
41631 e_1_2_0 = zeta*( c1*e_0_1_0 &
41632 +c2*e_1_1_0&
41633
41634 )
41635 e_1_1_1 = zetb*( c1*e_0_1_0 &
41636 +c3*e_1_1_0&
41637
41638 )
41639 e_2_2_0 = zeta*( c1*e_1_1_0 &
41640
41641
41642 )
41643 e_2_1_1 = zetb*( c1*e_1_1_0 &
41644
41645
41646 )
41647 e_0_3_0 = zeta*( &
41648 +c2*e_0_2_0&
41649 +2*e_1_2_0 &
41650 -4*e_0_1_0)
41651 e_0_2_1 = zetb*( &
41652 +c3*e_0_2_0&
41653 +2*e_1_2_0 &
41654 )
41655 e_1_3_0 = zeta*( c1*e_0_2_0 &
41656 +c2*e_1_2_0&
41657 +4*e_2_2_0 &
41658 -4*e_1_1_0)
41659 e_1_2_1 = zetb*( c1*e_0_2_0 &
41660 +c3*e_1_2_0&
41661 +4*e_2_2_0 &
41662 )
41663 e_2_3_0 = zeta*( c1*e_1_2_0 &
41664 +c2*e_2_2_0&
41665
41666 )
41667 e_2_2_1 = zetb*( c1*e_1_2_0 &
41668 +c3*e_2_2_0&
41669
41670 )
41671 e_3_3_0 = zeta*( c1*e_2_2_0 &
41672
41673
41674 )
41675 e_3_2_1 = zetb*( c1*e_2_2_0 &
41676
41677
41678 )
41679 e_0_4_0 = zeta*( &
41680 +c2*e_0_3_0&
41681 +2*e_1_3_0 &
41682 -6*e_0_2_0)
41683 e_0_3_1 = zetb*( &
41684 +c3*e_0_3_0&
41685 +2*e_1_3_0 &
41686 )
41687 e_1_4_0 = zeta*( c1*e_0_3_0 &
41688 +c2*e_1_3_0&
41689 +4*e_2_3_0 &
41690 -6*e_1_2_0)
41691 e_1_3_1 = zetb*( c1*e_0_3_0 &
41692 +c3*e_1_3_0&
41693 +4*e_2_3_0 &
41694 )
41695 e_2_4_0 = zeta*( c1*e_1_3_0 &
41696 +c2*e_2_3_0&
41697 +6*e_3_3_0 &
41698 -6*e_2_2_0)
41699 e_2_3_1 = zetb*( c1*e_1_3_0 &
41700 +c3*e_2_3_0&
41701 +6*e_3_3_0 &
41702 )
41703 e_3_4_0 = zeta*( c1*e_2_3_0 &
41704 +c2*e_3_3_0&
41705
41706 )
41707 e_3_3_1 = zetb*( c1*e_2_3_0 &
41708 +c3*e_3_3_0&
41709
41710 )
41711 e_4_4_0 = zeta*( c1*e_3_3_0 &
41712
41713
41714 )
41715 e_4_3_1 = zetb*( c1*e_3_3_0 &
41716
41717
41718 )
41719 e_0_4_1 = zetb*( &
41720 +c3*e_0_4_0&
41721 +2*e_1_4_0 &
41722 )
41723 e_1_4_1 = zetb*( c1*e_0_4_0 &
41724 +c3*e_1_4_0&
41725 +4*e_2_4_0 &
41726 )
41727 e_2_4_1 = zetb*( c1*e_1_4_0 &
41728 +c3*e_2_4_0&
41729 +6*e_3_4_0 &
41730 )
41731 e_3_4_1 = zetb*( c1*e_2_4_0 &
41732 +c3*e_3_4_0&
41733 +8*e_4_4_0 &
41734 )
41735 e_4_4_1 = zetb*( c1*e_3_4_0 &
41736 +c3*e_4_4_0&
41737
41738 )
41739 e_5_4_1 = zetb*( c1*e_4_4_0 &
41740
41741
41742 )
41743 e_0_1_1 = zeta*( &
41744 +c2*e_0_0_1&
41745 +2*e_1_0_1 &
41746 )
41747 e_1_1_1 = zeta*( c1*e_0_0_1 &
41748 +c2*e_1_0_1&
41749
41750 )
41751 e_2_1_1 = zeta*( c1*e_1_0_1 &
41752
41753
41754 )
41755 e_0_2_1 = zeta*( &
41756 +c2*e_0_1_1&
41757 +2*e_1_1_1 &
41758 -2*e_0_0_1)
41759 e_1_2_1 = zeta*( c1*e_0_1_1 &
41760 +c2*e_1_1_1&
41761 +4*e_2_1_1 &
41762 -2*e_1_0_1)
41763 e_2_2_1 = zeta*( c1*e_1_1_1 &
41764 +c2*e_2_1_1&
41765
41766 )
41767 e_3_2_1 = zeta*( c1*e_2_1_1 &
41768
41769
41770 )
41771 e_0_3_1 = zeta*( &
41772 +c2*e_0_2_1&
41773 +2*e_1_2_1 &
41774 -4*e_0_1_1)
41775 e_1_3_1 = zeta*( c1*e_0_2_1 &
41776 +c2*e_1_2_1&
41777 +4*e_2_2_1 &
41778 -4*e_1_1_1)
41779 e_2_3_1 = zeta*( c1*e_1_2_1 &
41780 +c2*e_2_2_1&
41781 +6*e_3_2_1 &
41782 -4*e_2_1_1)
41783 e_3_3_1 = zeta*( c1*e_2_2_1 &
41784 +c2*e_3_2_1&
41785
41786 )
41787 e_4_3_1 = zeta*( c1*e_3_2_1 &
41788
41789
41790 )
41791 e_0_4_1 = zeta*( &
41792 +c2*e_0_3_1&
41793 +2*e_1_3_1 &
41794 -6*e_0_2_1)
41795 e_1_4_1 = zeta*( c1*e_0_3_1 &
41796 +c2*e_1_3_1&
41797 +4*e_2_3_1 &
41798 -6*e_1_2_1)
41799 e_2_4_1 = zeta*( c1*e_1_3_1 &
41800 +c2*e_2_3_1&
41801 +6*e_3_3_1 &
41802 -6*e_2_2_1)
41803 e_3_4_1 = zeta*( c1*e_2_3_1 &
41804 +c2*e_3_3_1&
41805 +8*e_4_3_1 &
41806 -6*e_3_2_1)
41807 e_4_4_1 = zeta*( c1*e_3_3_1 &
41808 +c2*e_4_3_1&
41809
41810 )
41811 e_5_4_1 = zeta*( c1*e_4_3_1 &
41812
41813
41814 )
41815
41816 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41817 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41818 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41819 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41820 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41821 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41822 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41823 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41824 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41825 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41826 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41827 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41828 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41829 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41830 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41831 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
41832 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
41833 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
41834 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
41835 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
41836 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
41837 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
41838 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
41839 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
41840 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
41841 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
41842 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
41843 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
41844 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
41845 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
41846 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
41847 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
41848 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
41849 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
41850 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
41851 r1 = r1 + dr
41852 END DO
41853
41854 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41855 END SUBROUTINE
41856 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_1_exp_0 ( &
41857 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41858 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41859 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41860 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41861 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41862 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41863 r_pow_t, r_tmp, rr1_delta, rr2_delta
41864
41865 REAL(kind=dp) :: c1, c2, c3
41866 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
41867 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
41868 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41869 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41870 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
41871 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41872 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
41873 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
41874
41875
41876 dr = lgth
41877 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41878
41879 s_r(:, :, :) = 0.0_dp
41880
41881 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41882
41883 h_to_c_0_0 = sqrt(alpha/pi)
41884
41885 h_to_c_0_1 = 0.0_dp
41886 h_to_c_1_1 = +2*alpha*h_to_c_0_0
41887 h_to_c_0_2 = -1*h_to_c_1_1
41888 h_to_c_1_2 = +2*alpha*h_to_c_0_1
41889 h_to_c_2_2 = +2*alpha*h_to_c_1_1
41890 h_to_c_0_3 = -1*h_to_c_1_2
41891 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41892 h_to_c_2_3 = +2*alpha*h_to_c_1_2
41893 h_to_c_3_3 = +2*alpha*h_to_c_2_2
41894 h_to_c_0_4 = -1*h_to_c_1_3
41895 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41896 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41897 h_to_c_3_4 = +2*alpha*h_to_c_2_3
41898 h_to_c_4_4 = +2*alpha*h_to_c_3_3
41899 h_to_c_0_5 = -1*h_to_c_1_4
41900 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41901 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41902 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41903 h_to_c_4_5 = +2*alpha*h_to_c_3_4
41904 h_to_c_5_5 = +2*alpha*h_to_c_4_4
41905 h_to_c_0_6 = -1*h_to_c_1_5
41906 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
41907 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
41908 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
41909 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
41910 h_to_c_5_6 = +2*alpha*h_to_c_4_5
41911 h_to_c_6_6 = +2*alpha*h_to_c_5_5
41912
41913
41914 rr1_delta = (ra - rb)/dr
41915
41916 rr1_l = ceiling(-r_c(1) + rr1_delta)
41917 rr1_r = floor(r_c(1) + rr1_delta)
41918
41919 r1 = rr1_l*dr
41920
41921 alpha_e = zeta*zetb/(zeta + zetb)
41922
41923 DO rr1 = rr1_l, rr1_r
41924 s_r_t_0 = 0.0_dp
41925 s_r_t2_0 = 0.0_dp
41926 s_r_t_1 = 0.0_dp
41927 s_r_t2_1 = 0.0_dp
41928 s_r_t_2 = 0.0_dp
41929 s_r_t2_2 = 0.0_dp
41930 s_r_t_3 = 0.0_dp
41931 s_r_t2_3 = 0.0_dp
41932 s_r_t_4 = 0.0_dp
41933 s_r_t2_4 = 0.0_dp
41934 s_r_t_5 = 0.0_dp
41935 s_r_t2_5 = 0.0_dp
41936 s_r_t_6 = 0.0_dp
41937 s_r_t2_6 = 0.0_dp
41938 r_tmp = r_offset + r1*zeta/(zeta + zetb)
41939 rr2_delta = -r_tmp/dr
41940
41941 rr2_l = ceiling(-r_c(2) + rr2_delta)
41942 rr2_r = floor(r_c(2) + rr2_delta)
41943
41944 r = r_tmp + (rr2_l)*dr
41945
41946
41947 DO rr2 = rr2_l, rr2_r
41948 r_pow_t = 1.0_dp
41949 exp2_rsq = exp(-alpha*r*r)
41950 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41951 r_pow_t = r_pow_t*r
41952 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41953 r_pow_t = r_pow_t*r
41954 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41955 r_pow_t = r_pow_t*r
41956 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41957 r_pow_t = r_pow_t*r
41958 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41959 r_pow_t = r_pow_t*r
41960 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41961 r_pow_t = r_pow_t*r
41962 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
41963
41964 r = r + dr
41965 END DO
41966
41967 ! C --> H
41968 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41969 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41970 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41971 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41972 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41973 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41974 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41975 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41976 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41977 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41978 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41979 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41980 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41981 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41982 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41983 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41984 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41985 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41986 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41987 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41988 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41989 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41990 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41991 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41992 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41993 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41994 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41995 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41996
41997 ! H --> HH
41998 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41999
42000 c1 = 1.0_dp/(zeta + zetb)
42001 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42002 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42003
42004 e_0_1_0 = zeta*( &
42005 +c2*e_0_0_0&
42006
42007 )
42008 e_0_0_1 = zetb*( &
42009 +c3*e_0_0_0&
42010
42011 )
42012 e_1_1_0 = zeta*( c1*e_0_0_0 &
42013
42014
42015 )
42016 e_1_0_1 = zetb*( c1*e_0_0_0 &
42017
42018
42019 )
42020 e_0_2_0 = zeta*( &
42021 +c2*e_0_1_0&
42022 +2*e_1_1_0 &
42023 -2*e_0_0_0)
42024 e_0_1_1 = zetb*( &
42025 +c3*e_0_1_0&
42026 +2*e_1_1_0 &
42027 )
42028 e_1_2_0 = zeta*( c1*e_0_1_0 &
42029 +c2*e_1_1_0&
42030
42031 )
42032 e_1_1_1 = zetb*( c1*e_0_1_0 &
42033 +c3*e_1_1_0&
42034
42035 )
42036 e_2_2_0 = zeta*( c1*e_1_1_0 &
42037
42038
42039 )
42040 e_2_1_1 = zetb*( c1*e_1_1_0 &
42041
42042
42043 )
42044 e_0_3_0 = zeta*( &
42045 +c2*e_0_2_0&
42046 +2*e_1_2_0 &
42047 -4*e_0_1_0)
42048 e_0_2_1 = zetb*( &
42049 +c3*e_0_2_0&
42050 +2*e_1_2_0 &
42051 )
42052 e_1_3_0 = zeta*( c1*e_0_2_0 &
42053 +c2*e_1_2_0&
42054 +4*e_2_2_0 &
42055 -4*e_1_1_0)
42056 e_1_2_1 = zetb*( c1*e_0_2_0 &
42057 +c3*e_1_2_0&
42058 +4*e_2_2_0 &
42059 )
42060 e_2_3_0 = zeta*( c1*e_1_2_0 &
42061 +c2*e_2_2_0&
42062
42063 )
42064 e_2_2_1 = zetb*( c1*e_1_2_0 &
42065 +c3*e_2_2_0&
42066
42067 )
42068 e_3_3_0 = zeta*( c1*e_2_2_0 &
42069
42070
42071 )
42072 e_3_2_1 = zetb*( c1*e_2_2_0 &
42073
42074
42075 )
42076 e_0_4_0 = zeta*( &
42077 +c2*e_0_3_0&
42078 +2*e_1_3_0 &
42079 -6*e_0_2_0)
42080 e_0_3_1 = zetb*( &
42081 +c3*e_0_3_0&
42082 +2*e_1_3_0 &
42083 )
42084 e_1_4_0 = zeta*( c1*e_0_3_0 &
42085 +c2*e_1_3_0&
42086 +4*e_2_3_0 &
42087 -6*e_1_2_0)
42088 e_1_3_1 = zetb*( c1*e_0_3_0 &
42089 +c3*e_1_3_0&
42090 +4*e_2_3_0 &
42091 )
42092 e_2_4_0 = zeta*( c1*e_1_3_0 &
42093 +c2*e_2_3_0&
42094 +6*e_3_3_0 &
42095 -6*e_2_2_0)
42096 e_2_3_1 = zetb*( c1*e_1_3_0 &
42097 +c3*e_2_3_0&
42098 +6*e_3_3_0 &
42099 )
42100 e_3_4_0 = zeta*( c1*e_2_3_0 &
42101 +c2*e_3_3_0&
42102
42103 )
42104 e_3_3_1 = zetb*( c1*e_2_3_0 &
42105 +c3*e_3_3_0&
42106
42107 )
42108 e_4_4_0 = zeta*( c1*e_3_3_0 &
42109
42110
42111 )
42112 e_4_3_1 = zetb*( c1*e_3_3_0 &
42113
42114
42115 )
42116 e_0_4_1 = zetb*( &
42117 +c3*e_0_4_0&
42118 +2*e_1_4_0 &
42119 )
42120 e_1_4_1 = zetb*( c1*e_0_4_0 &
42121 +c3*e_1_4_0&
42122 +4*e_2_4_0 &
42123 )
42124 e_2_4_1 = zetb*( c1*e_1_4_0 &
42125 +c3*e_2_4_0&
42126 +6*e_3_4_0 &
42127 )
42128 e_3_4_1 = zetb*( c1*e_2_4_0 &
42129 +c3*e_3_4_0&
42130 +8*e_4_4_0 &
42131 )
42132 e_4_4_1 = zetb*( c1*e_3_4_0 &
42133 +c3*e_4_4_0&
42134
42135 )
42136 e_5_4_1 = zetb*( c1*e_4_4_0 &
42137
42138
42139 )
42140 e_0_1_1 = zeta*( &
42141 +c2*e_0_0_1&
42142 +2*e_1_0_1 &
42143 )
42144 e_1_1_1 = zeta*( c1*e_0_0_1 &
42145 +c2*e_1_0_1&
42146
42147 )
42148 e_2_1_1 = zeta*( c1*e_1_0_1 &
42149
42150
42151 )
42152 e_0_2_1 = zeta*( &
42153 +c2*e_0_1_1&
42154 +2*e_1_1_1 &
42155 -2*e_0_0_1)
42156 e_1_2_1 = zeta*( c1*e_0_1_1 &
42157 +c2*e_1_1_1&
42158 +4*e_2_1_1 &
42159 -2*e_1_0_1)
42160 e_2_2_1 = zeta*( c1*e_1_1_1 &
42161 +c2*e_2_1_1&
42162
42163 )
42164 e_3_2_1 = zeta*( c1*e_2_1_1 &
42165
42166
42167 )
42168 e_0_3_1 = zeta*( &
42169 +c2*e_0_2_1&
42170 +2*e_1_2_1 &
42171 -4*e_0_1_1)
42172 e_1_3_1 = zeta*( c1*e_0_2_1 &
42173 +c2*e_1_2_1&
42174 +4*e_2_2_1 &
42175 -4*e_1_1_1)
42176 e_2_3_1 = zeta*( c1*e_1_2_1 &
42177 +c2*e_2_2_1&
42178 +6*e_3_2_1 &
42179 -4*e_2_1_1)
42180 e_3_3_1 = zeta*( c1*e_2_2_1 &
42181 +c2*e_3_2_1&
42182
42183 )
42184 e_4_3_1 = zeta*( c1*e_3_2_1 &
42185
42186
42187 )
42188 e_0_4_1 = zeta*( &
42189 +c2*e_0_3_1&
42190 +2*e_1_3_1 &
42191 -6*e_0_2_1)
42192 e_1_4_1 = zeta*( c1*e_0_3_1 &
42193 +c2*e_1_3_1&
42194 +4*e_2_3_1 &
42195 -6*e_1_2_1)
42196 e_2_4_1 = zeta*( c1*e_1_3_1 &
42197 +c2*e_2_3_1&
42198 +6*e_3_3_1 &
42199 -6*e_2_2_1)
42200 e_3_4_1 = zeta*( c1*e_2_3_1 &
42201 +c2*e_3_3_1&
42202 +8*e_4_3_1 &
42203 -6*e_3_2_1)
42204 e_4_4_1 = zeta*( c1*e_3_3_1 &
42205 +c2*e_4_3_1&
42206
42207 )
42208 e_5_4_1 = zeta*( c1*e_4_3_1 &
42209
42210
42211 )
42212
42213 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
42214 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
42215 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
42216 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
42217 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
42218 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42219 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
42220 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
42221 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42222 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42223 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
42224 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
42225 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42226 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42227 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42228 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
42229 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
42230 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
42231 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
42232 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42233 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
42234 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
42235 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42236 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42237 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
42238 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
42239 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42240 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42241 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42242 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
42243 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
42244 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42245 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42246 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42247 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42248 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
42249 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
42250 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
42251 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
42252 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
42253 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
42254 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
42255 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
42256 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
42257 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
42258 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
42259 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
42260 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
42261 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
42262 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
42263 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
42264 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
42265 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
42266 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
42267 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
42268 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
42269 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
42270 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
42271 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
42272 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
42273 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
42274 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
42275 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
42276 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
42277 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
42278 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
42279 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
42280 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
42281 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
42282 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
42283 r1 = r1 + dr
42284 END DO
42285
42286 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
42287 END SUBROUTINE
42288 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_2_exp_0 ( &
42289 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
42290 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
42291 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
42292 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
42293 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
42294 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
42295 r_pow_t, r_tmp, rr1_delta, rr2_delta
42296
42297 REAL(kind=dp) :: c1, c2, c3
42298 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
42299 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
42300 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
42301 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
42302 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
42303 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
42304 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
42305 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
42306 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
42307
42308
42309 dr = lgth
42310 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
42311
42312 s_r(:, :, :) = 0.0_dp
42313
42314 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
42315
42316 h_to_c_0_0 = sqrt(alpha/pi)
42317
42318 h_to_c_0_1 = 0.0_dp
42319 h_to_c_1_1 = +2*alpha*h_to_c_0_0
42320 h_to_c_0_2 = -1*h_to_c_1_1
42321 h_to_c_1_2 = +2*alpha*h_to_c_0_1
42322 h_to_c_2_2 = +2*alpha*h_to_c_1_1
42323 h_to_c_0_3 = -1*h_to_c_1_2
42324 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
42325 h_to_c_2_3 = +2*alpha*h_to_c_1_2
42326 h_to_c_3_3 = +2*alpha*h_to_c_2_2
42327 h_to_c_0_4 = -1*h_to_c_1_3
42328 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
42329 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
42330 h_to_c_3_4 = +2*alpha*h_to_c_2_3
42331 h_to_c_4_4 = +2*alpha*h_to_c_3_3
42332 h_to_c_0_5 = -1*h_to_c_1_4
42333 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
42334 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
42335 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
42336 h_to_c_4_5 = +2*alpha*h_to_c_3_4
42337 h_to_c_5_5 = +2*alpha*h_to_c_4_4
42338 h_to_c_0_6 = -1*h_to_c_1_5
42339 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
42340 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
42341 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
42342 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
42343 h_to_c_5_6 = +2*alpha*h_to_c_4_5
42344 h_to_c_6_6 = +2*alpha*h_to_c_5_5
42345 h_to_c_0_7 = -1*h_to_c_1_6
42346 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
42347 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
42348 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
42349 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
42350 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
42351 h_to_c_6_7 = +2*alpha*h_to_c_5_6
42352 h_to_c_7_7 = +2*alpha*h_to_c_6_6
42353
42354
42355 rr1_delta = (ra - rb)/dr
42356
42357 rr1_l = ceiling(-r_c(1) + rr1_delta)
42358 rr1_r = floor(r_c(1) + rr1_delta)
42359
42360 r1 = rr1_l*dr
42361
42362 alpha_e = zeta*zetb/(zeta + zetb)
42363
42364 DO rr1 = rr1_l, rr1_r
42365 s_r_t_0 = 0.0_dp
42366 s_r_t2_0 = 0.0_dp
42367 s_r_t_1 = 0.0_dp
42368 s_r_t2_1 = 0.0_dp
42369 s_r_t_2 = 0.0_dp
42370 s_r_t2_2 = 0.0_dp
42371 s_r_t_3 = 0.0_dp
42372 s_r_t2_3 = 0.0_dp
42373 s_r_t_4 = 0.0_dp
42374 s_r_t2_4 = 0.0_dp
42375 s_r_t_5 = 0.0_dp
42376 s_r_t2_5 = 0.0_dp
42377 s_r_t_6 = 0.0_dp
42378 s_r_t2_6 = 0.0_dp
42379 s_r_t_7 = 0.0_dp
42380 s_r_t2_7 = 0.0_dp
42381 r_tmp = r_offset + r1*zeta/(zeta + zetb)
42382 rr2_delta = -r_tmp/dr
42383
42384 rr2_l = ceiling(-r_c(2) + rr2_delta)
42385 rr2_r = floor(r_c(2) + rr2_delta)
42386
42387 r = r_tmp + (rr2_l)*dr
42388
42389
42390 DO rr2 = rr2_l, rr2_r
42391 r_pow_t = 1.0_dp
42392 exp2_rsq = exp(-alpha*r*r)
42393 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
42394 r_pow_t = r_pow_t*r
42395 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
42396 r_pow_t = r_pow_t*r
42397 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
42398 r_pow_t = r_pow_t*r
42399 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
42400 r_pow_t = r_pow_t*r
42401 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
42402 r_pow_t = r_pow_t*r
42403 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
42404 r_pow_t = r_pow_t*r
42405 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
42406 r_pow_t = r_pow_t*r
42407 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
42408
42409 r = r + dr
42410 END DO
42411
42412 ! C --> H
42413 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
42414 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
42415 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
42416 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
42417 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
42418 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
42419 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
42420 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
42421 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
42422 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
42423 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
42424 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
42425 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
42426 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
42427 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
42428 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
42429 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
42430 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
42431 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
42432 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
42433 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
42434 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
42435 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
42436 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
42437 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
42438 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
42439 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
42440 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
42441 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
42442 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
42443 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
42444 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
42445 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
42446 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
42447 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
42448 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
42449
42450 ! H --> HH
42451 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
42452
42453 c1 = 1.0_dp/(zeta + zetb)
42454 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42455 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42456
42457 e_0_1_0 = zeta*( &
42458 +c2*e_0_0_0&
42459
42460 )
42461 e_0_0_1 = zetb*( &
42462 +c3*e_0_0_0&
42463
42464 )
42465 e_1_1_0 = zeta*( c1*e_0_0_0 &
42466
42467
42468 )
42469 e_1_0_1 = zetb*( c1*e_0_0_0 &
42470
42471
42472 )
42473 e_0_2_0 = zeta*( &
42474 +c2*e_0_1_0&
42475 +2*e_1_1_0 &
42476 -2*e_0_0_0)
42477 e_0_1_1 = zetb*( &
42478 +c3*e_0_1_0&
42479 +2*e_1_1_0 &
42480 )
42481 e_1_2_0 = zeta*( c1*e_0_1_0 &
42482 +c2*e_1_1_0&
42483
42484 )
42485 e_1_1_1 = zetb*( c1*e_0_1_0 &
42486 +c3*e_1_1_0&
42487
42488 )
42489 e_2_2_0 = zeta*( c1*e_1_1_0 &
42490
42491
42492 )
42493 e_2_1_1 = zetb*( c1*e_1_1_0 &
42494
42495
42496 )
42497 e_0_3_0 = zeta*( &
42498 +c2*e_0_2_0&
42499 +2*e_1_2_0 &
42500 -4*e_0_1_0)
42501 e_0_2_1 = zetb*( &
42502 +c3*e_0_2_0&
42503 +2*e_1_2_0 &
42504 )
42505 e_1_3_0 = zeta*( c1*e_0_2_0 &
42506 +c2*e_1_2_0&
42507 +4*e_2_2_0 &
42508 -4*e_1_1_0)
42509 e_1_2_1 = zetb*( c1*e_0_2_0 &
42510 +c3*e_1_2_0&
42511 +4*e_2_2_0 &
42512 )
42513 e_2_3_0 = zeta*( c1*e_1_2_0 &
42514 +c2*e_2_2_0&
42515
42516 )
42517 e_2_2_1 = zetb*( c1*e_1_2_0 &
42518 +c3*e_2_2_0&
42519
42520 )
42521 e_3_3_0 = zeta*( c1*e_2_2_0 &
42522
42523
42524 )
42525 e_3_2_1 = zetb*( c1*e_2_2_0 &
42526
42527
42528 )
42529 e_0_4_0 = zeta*( &
42530 +c2*e_0_3_0&
42531 +2*e_1_3_0 &
42532 -6*e_0_2_0)
42533 e_0_3_1 = zetb*( &
42534 +c3*e_0_3_0&
42535 +2*e_1_3_0 &
42536 )
42537 e_1_4_0 = zeta*( c1*e_0_3_0 &
42538 +c2*e_1_3_0&
42539 +4*e_2_3_0 &
42540 -6*e_1_2_0)
42541 e_1_3_1 = zetb*( c1*e_0_3_0 &
42542 +c3*e_1_3_0&
42543 +4*e_2_3_0 &
42544 )
42545 e_2_4_0 = zeta*( c1*e_1_3_0 &
42546 +c2*e_2_3_0&
42547 +6*e_3_3_0 &
42548 -6*e_2_2_0)
42549 e_2_3_1 = zetb*( c1*e_1_3_0 &
42550 +c3*e_2_3_0&
42551 +6*e_3_3_0 &
42552 )
42553 e_3_4_0 = zeta*( c1*e_2_3_0 &
42554 +c2*e_3_3_0&
42555
42556 )
42557 e_3_3_1 = zetb*( c1*e_2_3_0 &
42558 +c3*e_3_3_0&
42559
42560 )
42561 e_4_4_0 = zeta*( c1*e_3_3_0 &
42562
42563
42564 )
42565 e_4_3_1 = zetb*( c1*e_3_3_0 &
42566
42567
42568 )
42569 e_0_4_1 = zetb*( &
42570 +c3*e_0_4_0&
42571 +2*e_1_4_0 &
42572 )
42573 e_1_4_1 = zetb*( c1*e_0_4_0 &
42574 +c3*e_1_4_0&
42575 +4*e_2_4_0 &
42576 )
42577 e_2_4_1 = zetb*( c1*e_1_4_0 &
42578 +c3*e_2_4_0&
42579 +6*e_3_4_0 &
42580 )
42581 e_3_4_1 = zetb*( c1*e_2_4_0 &
42582 +c3*e_3_4_0&
42583 +8*e_4_4_0 &
42584 )
42585 e_4_4_1 = zetb*( c1*e_3_4_0 &
42586 +c3*e_4_4_0&
42587
42588 )
42589 e_5_4_1 = zetb*( c1*e_4_4_0 &
42590
42591
42592 )
42593 e_0_1_1 = zeta*( &
42594 +c2*e_0_0_1&
42595 +2*e_1_0_1 &
42596 )
42597 e_1_1_1 = zeta*( c1*e_0_0_1 &
42598 +c2*e_1_0_1&
42599
42600 )
42601 e_2_1_1 = zeta*( c1*e_1_0_1 &
42602
42603
42604 )
42605 e_0_2_1 = zeta*( &
42606 +c2*e_0_1_1&
42607 +2*e_1_1_1 &
42608 -2*e_0_0_1)
42609 e_1_2_1 = zeta*( c1*e_0_1_1 &
42610 +c2*e_1_1_1&
42611 +4*e_2_1_1 &
42612 -2*e_1_0_1)
42613 e_2_2_1 = zeta*( c1*e_1_1_1 &
42614 +c2*e_2_1_1&
42615
42616 )
42617 e_3_2_1 = zeta*( c1*e_2_1_1 &
42618
42619
42620 )
42621 e_0_3_1 = zeta*( &
42622 +c2*e_0_2_1&
42623 +2*e_1_2_1 &
42624 -4*e_0_1_1)
42625 e_1_3_1 = zeta*( c1*e_0_2_1 &
42626 +c2*e_1_2_1&
42627 +4*e_2_2_1 &
42628 -4*e_1_1_1)
42629 e_2_3_1 = zeta*( c1*e_1_2_1 &
42630 +c2*e_2_2_1&
42631 +6*e_3_2_1 &
42632 -4*e_2_1_1)
42633 e_3_3_1 = zeta*( c1*e_2_2_1 &
42634 +c2*e_3_2_1&
42635
42636 )
42637 e_4_3_1 = zeta*( c1*e_3_2_1 &
42638
42639
42640 )
42641 e_0_4_1 = zeta*( &
42642 +c2*e_0_3_1&
42643 +2*e_1_3_1 &
42644 -6*e_0_2_1)
42645 e_1_4_1 = zeta*( c1*e_0_3_1 &
42646 +c2*e_1_3_1&
42647 +4*e_2_3_1 &
42648 -6*e_1_2_1)
42649 e_2_4_1 = zeta*( c1*e_1_3_1 &
42650 +c2*e_2_3_1&
42651 +6*e_3_3_1 &
42652 -6*e_2_2_1)
42653 e_3_4_1 = zeta*( c1*e_2_3_1 &
42654 +c2*e_3_3_1&
42655 +8*e_4_3_1 &
42656 -6*e_3_2_1)
42657 e_4_4_1 = zeta*( c1*e_3_3_1 &
42658 +c2*e_4_3_1&
42659
42660 )
42661 e_5_4_1 = zeta*( c1*e_4_3_1 &
42662
42663
42664 )
42665
42666 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
42667 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
42668 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
42669 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
42670 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
42671 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42672 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
42673 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
42674 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42675 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42676 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
42677 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
42678 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42679 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42680 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42681 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
42682 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
42683 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
42684 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
42685 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42686 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
42687 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
42688 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42689 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42690 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
42691 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
42692 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42693 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42694 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42695 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
42696 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
42697 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42698 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42699 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42700 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42701 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
42702 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
42703 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
42704 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
42705 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
42706 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
42707 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
42708 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
42709 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
42710 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
42711 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
42712 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
42713 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
42714 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
42715 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
42716 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
42717 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
42718 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
42719 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
42720 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
42721 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
42722 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
42723 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
42724 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
42725 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
42726 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
42727 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
42728 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
42729 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
42730 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
42731 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
42732 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
42733 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
42734 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
42735 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
42736 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
42737 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
42738 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
42739 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42740 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
42741 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
42742 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42743 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42744 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
42745 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
42746 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42747 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42748 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42749 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
42750 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
42751 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
42752 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
42753 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42754 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
42755 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
42756 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42757 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42758 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
42759 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
42760 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42761 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42762 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42763 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
42764 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
42765 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42766 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42767 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42768 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42769 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
42770 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
42771 r1 = r1 + dr
42772 END DO
42773
42774 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
42775 END SUBROUTINE
42776 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_3_exp_0 ( &
42777 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
42778 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
42779 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
42780 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
42781 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
42782 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
42783 r_pow_t, r_tmp, rr1_delta, rr2_delta
42784
42785 REAL(kind=dp) :: c1, c2, c3
42786 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
42787 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
42788 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
42789 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
42790 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
42791 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
42792 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
42793 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
42794 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
42795 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
42796
42797
42798 dr = lgth
42799 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
42800
42801 s_r(:, :, :) = 0.0_dp
42802
42803 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
42804
42805 h_to_c_0_0 = sqrt(alpha/pi)
42806
42807 h_to_c_0_1 = 0.0_dp
42808 h_to_c_1_1 = +2*alpha*h_to_c_0_0
42809 h_to_c_0_2 = -1*h_to_c_1_1
42810 h_to_c_1_2 = +2*alpha*h_to_c_0_1
42811 h_to_c_2_2 = +2*alpha*h_to_c_1_1
42812 h_to_c_0_3 = -1*h_to_c_1_2
42813 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
42814 h_to_c_2_3 = +2*alpha*h_to_c_1_2
42815 h_to_c_3_3 = +2*alpha*h_to_c_2_2
42816 h_to_c_0_4 = -1*h_to_c_1_3
42817 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
42818 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
42819 h_to_c_3_4 = +2*alpha*h_to_c_2_3
42820 h_to_c_4_4 = +2*alpha*h_to_c_3_3
42821 h_to_c_0_5 = -1*h_to_c_1_4
42822 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
42823 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
42824 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
42825 h_to_c_4_5 = +2*alpha*h_to_c_3_4
42826 h_to_c_5_5 = +2*alpha*h_to_c_4_4
42827 h_to_c_0_6 = -1*h_to_c_1_5
42828 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
42829 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
42830 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
42831 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
42832 h_to_c_5_6 = +2*alpha*h_to_c_4_5
42833 h_to_c_6_6 = +2*alpha*h_to_c_5_5
42834 h_to_c_0_7 = -1*h_to_c_1_6
42835 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
42836 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
42837 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
42838 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
42839 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
42840 h_to_c_6_7 = +2*alpha*h_to_c_5_6
42841 h_to_c_7_7 = +2*alpha*h_to_c_6_6
42842 h_to_c_0_8 = -1*h_to_c_1_7
42843 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
42844 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
42845 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
42846 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
42847 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
42848 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
42849 h_to_c_7_8 = +2*alpha*h_to_c_6_7
42850 h_to_c_8_8 = +2*alpha*h_to_c_7_7
42851
42852
42853 rr1_delta = (ra - rb)/dr
42854
42855 rr1_l = ceiling(-r_c(1) + rr1_delta)
42856 rr1_r = floor(r_c(1) + rr1_delta)
42857
42858 r1 = rr1_l*dr
42859
42860 alpha_e = zeta*zetb/(zeta + zetb)
42861
42862 DO rr1 = rr1_l, rr1_r
42863 s_r_t_0 = 0.0_dp
42864 s_r_t2_0 = 0.0_dp
42865 s_r_t_1 = 0.0_dp
42866 s_r_t2_1 = 0.0_dp
42867 s_r_t_2 = 0.0_dp
42868 s_r_t2_2 = 0.0_dp
42869 s_r_t_3 = 0.0_dp
42870 s_r_t2_3 = 0.0_dp
42871 s_r_t_4 = 0.0_dp
42872 s_r_t2_4 = 0.0_dp
42873 s_r_t_5 = 0.0_dp
42874 s_r_t2_5 = 0.0_dp
42875 s_r_t_6 = 0.0_dp
42876 s_r_t2_6 = 0.0_dp
42877 s_r_t_7 = 0.0_dp
42878 s_r_t2_7 = 0.0_dp
42879 s_r_t_8 = 0.0_dp
42880 s_r_t2_8 = 0.0_dp
42881 r_tmp = r_offset + r1*zeta/(zeta + zetb)
42882 rr2_delta = -r_tmp/dr
42883
42884 rr2_l = ceiling(-r_c(2) + rr2_delta)
42885 rr2_r = floor(r_c(2) + rr2_delta)
42886
42887 r = r_tmp + (rr2_l)*dr
42888
42889
42890 DO rr2 = rr2_l, rr2_r
42891 r_pow_t = 1.0_dp
42892 exp2_rsq = exp(-alpha*r*r)
42893 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
42894 r_pow_t = r_pow_t*r
42895 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
42896 r_pow_t = r_pow_t*r
42897 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
42898 r_pow_t = r_pow_t*r
42899 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
42900 r_pow_t = r_pow_t*r
42901 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
42902 r_pow_t = r_pow_t*r
42903 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
42904 r_pow_t = r_pow_t*r
42905 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
42906 r_pow_t = r_pow_t*r
42907 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
42908 r_pow_t = r_pow_t*r
42909 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
42910
42911 r = r + dr
42912 END DO
42913
42914 ! C --> H
42915 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
42916 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
42917 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
42918 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
42919 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
42920 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
42921 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
42922 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
42923 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
42924 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
42925 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
42926 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
42927 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
42928 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
42929 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
42930 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
42931 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
42932 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
42933 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
42934 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
42935 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
42936 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
42937 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
42938 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
42939 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
42940 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
42941 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
42942 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
42943 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
42944 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
42945 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
42946 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
42947 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
42948 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
42949 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
42950 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
42951 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
42952 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
42953 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
42954 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
42955 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
42956 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
42957 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
42958 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
42959 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
42960
42961 ! H --> HH
42962 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
42963
42964 c1 = 1.0_dp/(zeta + zetb)
42965 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42966 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42967
42968 e_0_1_0 = zeta*( &
42969 +c2*e_0_0_0&
42970
42971 )
42972 e_0_0_1 = zetb*( &
42973 +c3*e_0_0_0&
42974
42975 )
42976 e_1_1_0 = zeta*( c1*e_0_0_0 &
42977
42978
42979 )
42980 e_1_0_1 = zetb*( c1*e_0_0_0 &
42981
42982
42983 )
42984 e_0_2_0 = zeta*( &
42985 +c2*e_0_1_0&
42986 +2*e_1_1_0 &
42987 -2*e_0_0_0)
42988 e_0_1_1 = zetb*( &
42989 +c3*e_0_1_0&
42990 +2*e_1_1_0 &
42991 )
42992 e_1_2_0 = zeta*( c1*e_0_1_0 &
42993 +c2*e_1_1_0&
42994
42995 )
42996 e_1_1_1 = zetb*( c1*e_0_1_0 &
42997 +c3*e_1_1_0&
42998
42999 )
43000 e_2_2_0 = zeta*( c1*e_1_1_0 &
43001
43002
43003 )
43004 e_2_1_1 = zetb*( c1*e_1_1_0 &
43005
43006
43007 )
43008 e_0_3_0 = zeta*( &
43009 +c2*e_0_2_0&
43010 +2*e_1_2_0 &
43011 -4*e_0_1_0)
43012 e_0_2_1 = zetb*( &
43013 +c3*e_0_2_0&
43014 +2*e_1_2_0 &
43015 )
43016 e_1_3_0 = zeta*( c1*e_0_2_0 &
43017 +c2*e_1_2_0&
43018 +4*e_2_2_0 &
43019 -4*e_1_1_0)
43020 e_1_2_1 = zetb*( c1*e_0_2_0 &
43021 +c3*e_1_2_0&
43022 +4*e_2_2_0 &
43023 )
43024 e_2_3_0 = zeta*( c1*e_1_2_0 &
43025 +c2*e_2_2_0&
43026
43027 )
43028 e_2_2_1 = zetb*( c1*e_1_2_0 &
43029 +c3*e_2_2_0&
43030
43031 )
43032 e_3_3_0 = zeta*( c1*e_2_2_0 &
43033
43034
43035 )
43036 e_3_2_1 = zetb*( c1*e_2_2_0 &
43037
43038
43039 )
43040 e_0_4_0 = zeta*( &
43041 +c2*e_0_3_0&
43042 +2*e_1_3_0 &
43043 -6*e_0_2_0)
43044 e_0_3_1 = zetb*( &
43045 +c3*e_0_3_0&
43046 +2*e_1_3_0 &
43047 )
43048 e_1_4_0 = zeta*( c1*e_0_3_0 &
43049 +c2*e_1_3_0&
43050 +4*e_2_3_0 &
43051 -6*e_1_2_0)
43052 e_1_3_1 = zetb*( c1*e_0_3_0 &
43053 +c3*e_1_3_0&
43054 +4*e_2_3_0 &
43055 )
43056 e_2_4_0 = zeta*( c1*e_1_3_0 &
43057 +c2*e_2_3_0&
43058 +6*e_3_3_0 &
43059 -6*e_2_2_0)
43060 e_2_3_1 = zetb*( c1*e_1_3_0 &
43061 +c3*e_2_3_0&
43062 +6*e_3_3_0 &
43063 )
43064 e_3_4_0 = zeta*( c1*e_2_3_0 &
43065 +c2*e_3_3_0&
43066
43067 )
43068 e_3_3_1 = zetb*( c1*e_2_3_0 &
43069 +c3*e_3_3_0&
43070
43071 )
43072 e_4_4_0 = zeta*( c1*e_3_3_0 &
43073
43074
43075 )
43076 e_4_3_1 = zetb*( c1*e_3_3_0 &
43077
43078
43079 )
43080 e_0_4_1 = zetb*( &
43081 +c3*e_0_4_0&
43082 +2*e_1_4_0 &
43083 )
43084 e_1_4_1 = zetb*( c1*e_0_4_0 &
43085 +c3*e_1_4_0&
43086 +4*e_2_4_0 &
43087 )
43088 e_2_4_1 = zetb*( c1*e_1_4_0 &
43089 +c3*e_2_4_0&
43090 +6*e_3_4_0 &
43091 )
43092 e_3_4_1 = zetb*( c1*e_2_4_0 &
43093 +c3*e_3_4_0&
43094 +8*e_4_4_0 &
43095 )
43096 e_4_4_1 = zetb*( c1*e_3_4_0 &
43097 +c3*e_4_4_0&
43098
43099 )
43100 e_5_4_1 = zetb*( c1*e_4_4_0 &
43101
43102
43103 )
43104 e_0_1_1 = zeta*( &
43105 +c2*e_0_0_1&
43106 +2*e_1_0_1 &
43107 )
43108 e_1_1_1 = zeta*( c1*e_0_0_1 &
43109 +c2*e_1_0_1&
43110
43111 )
43112 e_2_1_1 = zeta*( c1*e_1_0_1 &
43113
43114
43115 )
43116 e_0_2_1 = zeta*( &
43117 +c2*e_0_1_1&
43118 +2*e_1_1_1 &
43119 -2*e_0_0_1)
43120 e_1_2_1 = zeta*( c1*e_0_1_1 &
43121 +c2*e_1_1_1&
43122 +4*e_2_1_1 &
43123 -2*e_1_0_1)
43124 e_2_2_1 = zeta*( c1*e_1_1_1 &
43125 +c2*e_2_1_1&
43126
43127 )
43128 e_3_2_1 = zeta*( c1*e_2_1_1 &
43129
43130
43131 )
43132 e_0_3_1 = zeta*( &
43133 +c2*e_0_2_1&
43134 +2*e_1_2_1 &
43135 -4*e_0_1_1)
43136 e_1_3_1 = zeta*( c1*e_0_2_1 &
43137 +c2*e_1_2_1&
43138 +4*e_2_2_1 &
43139 -4*e_1_1_1)
43140 e_2_3_1 = zeta*( c1*e_1_2_1 &
43141 +c2*e_2_2_1&
43142 +6*e_3_2_1 &
43143 -4*e_2_1_1)
43144 e_3_3_1 = zeta*( c1*e_2_2_1 &
43145 +c2*e_3_2_1&
43146
43147 )
43148 e_4_3_1 = zeta*( c1*e_3_2_1 &
43149
43150
43151 )
43152 e_0_4_1 = zeta*( &
43153 +c2*e_0_3_1&
43154 +2*e_1_3_1 &
43155 -6*e_0_2_1)
43156 e_1_4_1 = zeta*( c1*e_0_3_1 &
43157 +c2*e_1_3_1&
43158 +4*e_2_3_1 &
43159 -6*e_1_2_1)
43160 e_2_4_1 = zeta*( c1*e_1_3_1 &
43161 +c2*e_2_3_1&
43162 +6*e_3_3_1 &
43163 -6*e_2_2_1)
43164 e_3_4_1 = zeta*( c1*e_2_3_1 &
43165 +c2*e_3_3_1&
43166 +8*e_4_3_1 &
43167 -6*e_3_2_1)
43168 e_4_4_1 = zeta*( c1*e_3_3_1 &
43169 +c2*e_4_3_1&
43170
43171 )
43172 e_5_4_1 = zeta*( c1*e_4_3_1 &
43173
43174
43175 )
43176
43177 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
43178 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
43179 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
43180 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
43181 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
43182 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43183 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
43184 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
43185 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43186 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43187 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
43188 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
43189 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43190 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43191 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43192 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
43193 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
43194 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
43195 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
43196 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43197 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
43198 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
43199 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43200 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43201 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
43202 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
43203 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43204 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43205 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43206 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
43207 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
43208 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43209 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43210 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43211 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43212 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
43213 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
43214 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
43215 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
43216 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
43217 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43218 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
43219 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
43220 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43221 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43222 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
43223 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
43224 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43225 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43226 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43227 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
43228 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
43229 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
43230 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
43231 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43232 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
43233 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
43234 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43235 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43236 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
43237 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
43238 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43239 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43240 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43241 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
43242 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
43243 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43244 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43245 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43246 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43247 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
43248 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
43249 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
43250 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43251 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
43252 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43253 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43254 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43255 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43256 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43257 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43258 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43259 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43260 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43261 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43262 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
43263 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
43264 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43265 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
43266 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43267 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43268 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43269 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43270 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43271 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43272 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43273 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43274 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43275 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43276 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43277 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43278 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43279 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43280 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43281 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43282 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
43283 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
43284 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
43285 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43286 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
43287 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
43288 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43289 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43290 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
43291 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
43292 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43293 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43294 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43295 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
43296 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
43297 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
43298 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
43299 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43300 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
43301 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
43302 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43303 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43304 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
43305 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
43306 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43307 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43308 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43309 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
43310 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
43311 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43312 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43313 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43314 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43315 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
43316 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
43317 r1 = r1 + dr
43318 END DO
43319
43320 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
43321 END SUBROUTINE
43322 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_4_exp_0 ( &
43323 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
43324 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
43325 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
43326 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
43327 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
43328 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
43329 r_pow_t, r_tmp, rr1_delta, rr2_delta
43330
43331 REAL(kind=dp) :: c1, c2, c3
43332 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
43333 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
43334 & s_r_t2_9
43335 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
43336 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
43337 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
43338 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
43339 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
43340 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
43341 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
43342 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
43343 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
43344
43345
43346 dr = lgth
43347 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
43348
43349 s_r(:, :, :) = 0.0_dp
43350
43351 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
43352
43353 h_to_c_0_0 = sqrt(alpha/pi)
43354
43355 h_to_c_0_1 = 0.0_dp
43356 h_to_c_1_1 = +2*alpha*h_to_c_0_0
43357 h_to_c_0_2 = -1*h_to_c_1_1
43358 h_to_c_1_2 = +2*alpha*h_to_c_0_1
43359 h_to_c_2_2 = +2*alpha*h_to_c_1_1
43360 h_to_c_0_3 = -1*h_to_c_1_2
43361 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
43362 h_to_c_2_3 = +2*alpha*h_to_c_1_2
43363 h_to_c_3_3 = +2*alpha*h_to_c_2_2
43364 h_to_c_0_4 = -1*h_to_c_1_3
43365 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
43366 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
43367 h_to_c_3_4 = +2*alpha*h_to_c_2_3
43368 h_to_c_4_4 = +2*alpha*h_to_c_3_3
43369 h_to_c_0_5 = -1*h_to_c_1_4
43370 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
43371 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
43372 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
43373 h_to_c_4_5 = +2*alpha*h_to_c_3_4
43374 h_to_c_5_5 = +2*alpha*h_to_c_4_4
43375 h_to_c_0_6 = -1*h_to_c_1_5
43376 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
43377 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
43378 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
43379 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
43380 h_to_c_5_6 = +2*alpha*h_to_c_4_5
43381 h_to_c_6_6 = +2*alpha*h_to_c_5_5
43382 h_to_c_0_7 = -1*h_to_c_1_6
43383 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
43384 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
43385 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
43386 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
43387 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
43388 h_to_c_6_7 = +2*alpha*h_to_c_5_6
43389 h_to_c_7_7 = +2*alpha*h_to_c_6_6
43390 h_to_c_0_8 = -1*h_to_c_1_7
43391 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
43392 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
43393 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
43394 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
43395 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
43396 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
43397 h_to_c_7_8 = +2*alpha*h_to_c_6_7
43398 h_to_c_8_8 = +2*alpha*h_to_c_7_7
43399 h_to_c_0_9 = -1*h_to_c_1_8
43400 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
43401 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
43402 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
43403 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
43404 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
43405 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
43406 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
43407 h_to_c_8_9 = +2*alpha*h_to_c_7_8
43408 h_to_c_9_9 = +2*alpha*h_to_c_8_8
43409
43410
43411 rr1_delta = (ra - rb)/dr
43412
43413 rr1_l = ceiling(-r_c(1) + rr1_delta)
43414 rr1_r = floor(r_c(1) + rr1_delta)
43415
43416 r1 = rr1_l*dr
43417
43418 alpha_e = zeta*zetb/(zeta + zetb)
43419
43420 DO rr1 = rr1_l, rr1_r
43421 s_r_t_0 = 0.0_dp
43422 s_r_t2_0 = 0.0_dp
43423 s_r_t_1 = 0.0_dp
43424 s_r_t2_1 = 0.0_dp
43425 s_r_t_2 = 0.0_dp
43426 s_r_t2_2 = 0.0_dp
43427 s_r_t_3 = 0.0_dp
43428 s_r_t2_3 = 0.0_dp
43429 s_r_t_4 = 0.0_dp
43430 s_r_t2_4 = 0.0_dp
43431 s_r_t_5 = 0.0_dp
43432 s_r_t2_5 = 0.0_dp
43433 s_r_t_6 = 0.0_dp
43434 s_r_t2_6 = 0.0_dp
43435 s_r_t_7 = 0.0_dp
43436 s_r_t2_7 = 0.0_dp
43437 s_r_t_8 = 0.0_dp
43438 s_r_t2_8 = 0.0_dp
43439 s_r_t_9 = 0.0_dp
43440 s_r_t2_9 = 0.0_dp
43441 r_tmp = r_offset + r1*zeta/(zeta + zetb)
43442 rr2_delta = -r_tmp/dr
43443
43444 rr2_l = ceiling(-r_c(2) + rr2_delta)
43445 rr2_r = floor(r_c(2) + rr2_delta)
43446
43447 r = r_tmp + (rr2_l)*dr
43448
43449
43450 DO rr2 = rr2_l, rr2_r
43451 r_pow_t = 1.0_dp
43452 exp2_rsq = exp(-alpha*r*r)
43453 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
43454 r_pow_t = r_pow_t*r
43455 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
43456 r_pow_t = r_pow_t*r
43457 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
43458 r_pow_t = r_pow_t*r
43459 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
43460 r_pow_t = r_pow_t*r
43461 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
43462 r_pow_t = r_pow_t*r
43463 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
43464 r_pow_t = r_pow_t*r
43465 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
43466 r_pow_t = r_pow_t*r
43467 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
43468 r_pow_t = r_pow_t*r
43469 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
43470 r_pow_t = r_pow_t*r
43471 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
43472
43473 r = r + dr
43474 END DO
43475
43476 ! C --> H
43477 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
43478 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
43479 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
43480 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
43481 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
43482 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
43483 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
43484 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
43485 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
43486 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
43487 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
43488 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
43489 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
43490 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
43491 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
43492 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
43493 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
43494 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
43495 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
43496 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
43497 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
43498 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
43499 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
43500 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
43501 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
43502 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
43503 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
43504 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
43505 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
43506 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
43507 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
43508 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
43509 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
43510 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
43511 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
43512 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
43513 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
43514 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
43515 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
43516 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
43517 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
43518 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
43519 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
43520 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
43521 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
43522 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
43523 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
43524 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
43525 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
43526 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
43527 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
43528 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
43529 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
43530 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
43531 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
43532
43533 ! H --> HH
43534 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
43535
43536 c1 = 1.0_dp/(zeta + zetb)
43537 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
43538 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
43539
43540 e_0_1_0 = zeta*( &
43541 +c2*e_0_0_0&
43542
43543 )
43544 e_0_0_1 = zetb*( &
43545 +c3*e_0_0_0&
43546
43547 )
43548 e_1_1_0 = zeta*( c1*e_0_0_0 &
43549
43550
43551 )
43552 e_1_0_1 = zetb*( c1*e_0_0_0 &
43553
43554
43555 )
43556 e_0_2_0 = zeta*( &
43557 +c2*e_0_1_0&
43558 +2*e_1_1_0 &
43559 -2*e_0_0_0)
43560 e_0_1_1 = zetb*( &
43561 +c3*e_0_1_0&
43562 +2*e_1_1_0 &
43563 )
43564 e_1_2_0 = zeta*( c1*e_0_1_0 &
43565 +c2*e_1_1_0&
43566
43567 )
43568 e_1_1_1 = zetb*( c1*e_0_1_0 &
43569 +c3*e_1_1_0&
43570
43571 )
43572 e_2_2_0 = zeta*( c1*e_1_1_0 &
43573
43574
43575 )
43576 e_2_1_1 = zetb*( c1*e_1_1_0 &
43577
43578
43579 )
43580 e_0_3_0 = zeta*( &
43581 +c2*e_0_2_0&
43582 +2*e_1_2_0 &
43583 -4*e_0_1_0)
43584 e_0_2_1 = zetb*( &
43585 +c3*e_0_2_0&
43586 +2*e_1_2_0 &
43587 )
43588 e_1_3_0 = zeta*( c1*e_0_2_0 &
43589 +c2*e_1_2_0&
43590 +4*e_2_2_0 &
43591 -4*e_1_1_0)
43592 e_1_2_1 = zetb*( c1*e_0_2_0 &
43593 +c3*e_1_2_0&
43594 +4*e_2_2_0 &
43595 )
43596 e_2_3_0 = zeta*( c1*e_1_2_0 &
43597 +c2*e_2_2_0&
43598
43599 )
43600 e_2_2_1 = zetb*( c1*e_1_2_0 &
43601 +c3*e_2_2_0&
43602
43603 )
43604 e_3_3_0 = zeta*( c1*e_2_2_0 &
43605
43606
43607 )
43608 e_3_2_1 = zetb*( c1*e_2_2_0 &
43609
43610
43611 )
43612 e_0_4_0 = zeta*( &
43613 +c2*e_0_3_0&
43614 +2*e_1_3_0 &
43615 -6*e_0_2_0)
43616 e_0_3_1 = zetb*( &
43617 +c3*e_0_3_0&
43618 +2*e_1_3_0 &
43619 )
43620 e_1_4_0 = zeta*( c1*e_0_3_0 &
43621 +c2*e_1_3_0&
43622 +4*e_2_3_0 &
43623 -6*e_1_2_0)
43624 e_1_3_1 = zetb*( c1*e_0_3_0 &
43625 +c3*e_1_3_0&
43626 +4*e_2_3_0 &
43627 )
43628 e_2_4_0 = zeta*( c1*e_1_3_0 &
43629 +c2*e_2_3_0&
43630 +6*e_3_3_0 &
43631 -6*e_2_2_0)
43632 e_2_3_1 = zetb*( c1*e_1_3_0 &
43633 +c3*e_2_3_0&
43634 +6*e_3_3_0 &
43635 )
43636 e_3_4_0 = zeta*( c1*e_2_3_0 &
43637 +c2*e_3_3_0&
43638
43639 )
43640 e_3_3_1 = zetb*( c1*e_2_3_0 &
43641 +c3*e_3_3_0&
43642
43643 )
43644 e_4_4_0 = zeta*( c1*e_3_3_0 &
43645
43646
43647 )
43648 e_4_3_1 = zetb*( c1*e_3_3_0 &
43649
43650
43651 )
43652 e_0_4_1 = zetb*( &
43653 +c3*e_0_4_0&
43654 +2*e_1_4_0 &
43655 )
43656 e_1_4_1 = zetb*( c1*e_0_4_0 &
43657 +c3*e_1_4_0&
43658 +4*e_2_4_0 &
43659 )
43660 e_2_4_1 = zetb*( c1*e_1_4_0 &
43661 +c3*e_2_4_0&
43662 +6*e_3_4_0 &
43663 )
43664 e_3_4_1 = zetb*( c1*e_2_4_0 &
43665 +c3*e_3_4_0&
43666 +8*e_4_4_0 &
43667 )
43668 e_4_4_1 = zetb*( c1*e_3_4_0 &
43669 +c3*e_4_4_0&
43670
43671 )
43672 e_5_4_1 = zetb*( c1*e_4_4_0 &
43673
43674
43675 )
43676 e_0_1_1 = zeta*( &
43677 +c2*e_0_0_1&
43678 +2*e_1_0_1 &
43679 )
43680 e_1_1_1 = zeta*( c1*e_0_0_1 &
43681 +c2*e_1_0_1&
43682
43683 )
43684 e_2_1_1 = zeta*( c1*e_1_0_1 &
43685
43686
43687 )
43688 e_0_2_1 = zeta*( &
43689 +c2*e_0_1_1&
43690 +2*e_1_1_1 &
43691 -2*e_0_0_1)
43692 e_1_2_1 = zeta*( c1*e_0_1_1 &
43693 +c2*e_1_1_1&
43694 +4*e_2_1_1 &
43695 -2*e_1_0_1)
43696 e_2_2_1 = zeta*( c1*e_1_1_1 &
43697 +c2*e_2_1_1&
43698
43699 )
43700 e_3_2_1 = zeta*( c1*e_2_1_1 &
43701
43702
43703 )
43704 e_0_3_1 = zeta*( &
43705 +c2*e_0_2_1&
43706 +2*e_1_2_1 &
43707 -4*e_0_1_1)
43708 e_1_3_1 = zeta*( c1*e_0_2_1 &
43709 +c2*e_1_2_1&
43710 +4*e_2_2_1 &
43711 -4*e_1_1_1)
43712 e_2_3_1 = zeta*( c1*e_1_2_1 &
43713 +c2*e_2_2_1&
43714 +6*e_3_2_1 &
43715 -4*e_2_1_1)
43716 e_3_3_1 = zeta*( c1*e_2_2_1 &
43717 +c2*e_3_2_1&
43718
43719 )
43720 e_4_3_1 = zeta*( c1*e_3_2_1 &
43721
43722
43723 )
43724 e_0_4_1 = zeta*( &
43725 +c2*e_0_3_1&
43726 +2*e_1_3_1 &
43727 -6*e_0_2_1)
43728 e_1_4_1 = zeta*( c1*e_0_3_1 &
43729 +c2*e_1_3_1&
43730 +4*e_2_3_1 &
43731 -6*e_1_2_1)
43732 e_2_4_1 = zeta*( c1*e_1_3_1 &
43733 +c2*e_2_3_1&
43734 +6*e_3_3_1 &
43735 -6*e_2_2_1)
43736 e_3_4_1 = zeta*( c1*e_2_3_1 &
43737 +c2*e_3_3_1&
43738 +8*e_4_3_1 &
43739 -6*e_3_2_1)
43740 e_4_4_1 = zeta*( c1*e_3_3_1 &
43741 +c2*e_4_3_1&
43742
43743 )
43744 e_5_4_1 = zeta*( c1*e_4_3_1 &
43745
43746
43747 )
43748
43749 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
43750 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
43751 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
43752 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
43753 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
43754 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43755 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
43756 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
43757 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43758 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43759 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
43760 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
43761 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43762 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43763 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43764 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
43765 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
43766 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
43767 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
43768 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43769 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
43770 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
43771 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43772 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43773 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
43774 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
43775 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43776 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43777 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43778 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
43779 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
43780 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43781 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43782 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43783 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43784 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
43785 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
43786 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
43787 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
43788 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
43789 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43790 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
43791 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
43792 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43793 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43794 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
43795 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
43796 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43797 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43798 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43799 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
43800 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
43801 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
43802 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
43803 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43804 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
43805 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
43806 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43807 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43808 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
43809 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
43810 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43811 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43812 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43813 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
43814 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
43815 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43816 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43817 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43818 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43819 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
43820 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
43821 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
43822 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43823 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
43824 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43825 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43826 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43827 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43828 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43829 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43830 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43831 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43832 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43833 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43834 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
43835 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
43836 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43837 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
43838 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43839 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43840 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43841 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43842 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43843 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43844 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43845 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43846 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43847 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43848 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43849 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43850 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43851 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43852 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43853 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43854 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
43855 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
43856 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
43857 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43858 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
43859 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
43860 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43861 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43862 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
43863 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
43864 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43865 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43866 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43867 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
43868 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
43869 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
43870 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
43871 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43872 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
43873 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
43874 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43875 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43876 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
43877 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
43878 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43879 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43880 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43881 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
43882 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
43883 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43884 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43885 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43886 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43887 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
43888 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
43889 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
43890 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
43891 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
43892 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43893 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
43894 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
43895 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43896 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43897 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
43898 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
43899 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43900 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43901 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43902 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
43903 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
43904 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
43905 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
43906 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43907 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
43908 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
43909 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43910 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43911 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
43912 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
43913 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43914 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43915 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43916 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
43917 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
43918 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43919 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43920 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43921 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43922 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
43923 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
43924 r1 = r1 + dr
43925 END DO
43926
43927 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
43928 END SUBROUTINE
43929 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_0_exp_0 ( &
43930 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
43931 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
43932 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
43933 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
43934 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
43935 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
43936 r_pow_t, r_tmp, rr1_delta, rr2_delta
43937
43938 REAL(kind=dp) :: c1, c2, c3
43939 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
43940 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
43941 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
43942 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
43943 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
43944 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
43945 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
43946 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
43947 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
43948 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
43949
43950
43951 dr = lgth
43952 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
43953
43954 s_r(:, :, :) = 0.0_dp
43955
43956 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
43957
43958 h_to_c_0_0 = sqrt(alpha/pi)
43959
43960 h_to_c_0_1 = 0.0_dp
43961 h_to_c_1_1 = +2*alpha*h_to_c_0_0
43962 h_to_c_0_2 = -1*h_to_c_1_1
43963 h_to_c_1_2 = +2*alpha*h_to_c_0_1
43964 h_to_c_2_2 = +2*alpha*h_to_c_1_1
43965 h_to_c_0_3 = -1*h_to_c_1_2
43966 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
43967 h_to_c_2_3 = +2*alpha*h_to_c_1_2
43968 h_to_c_3_3 = +2*alpha*h_to_c_2_2
43969 h_to_c_0_4 = -1*h_to_c_1_3
43970 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
43971 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
43972 h_to_c_3_4 = +2*alpha*h_to_c_2_3
43973 h_to_c_4_4 = +2*alpha*h_to_c_3_3
43974 h_to_c_0_5 = -1*h_to_c_1_4
43975 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
43976 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
43977 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
43978 h_to_c_4_5 = +2*alpha*h_to_c_3_4
43979 h_to_c_5_5 = +2*alpha*h_to_c_4_4
43980 h_to_c_0_6 = -1*h_to_c_1_5
43981 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
43982 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
43983 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
43984 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
43985 h_to_c_5_6 = +2*alpha*h_to_c_4_5
43986 h_to_c_6_6 = +2*alpha*h_to_c_5_5
43987
43988
43989 rr1_delta = (ra - rb)/dr
43990
43991 rr1_l = ceiling(-r_c(1) + rr1_delta)
43992 rr1_r = floor(r_c(1) + rr1_delta)
43993
43994 r1 = rr1_l*dr
43995
43996 alpha_e = zeta*zetb/(zeta + zetb)
43997
43998 DO rr1 = rr1_l, rr1_r
43999 s_r_t_0 = 0.0_dp
44000 s_r_t2_0 = 0.0_dp
44001 s_r_t_1 = 0.0_dp
44002 s_r_t2_1 = 0.0_dp
44003 s_r_t_2 = 0.0_dp
44004 s_r_t2_2 = 0.0_dp
44005 s_r_t_3 = 0.0_dp
44006 s_r_t2_3 = 0.0_dp
44007 s_r_t_4 = 0.0_dp
44008 s_r_t2_4 = 0.0_dp
44009 s_r_t_5 = 0.0_dp
44010 s_r_t2_5 = 0.0_dp
44011 s_r_t_6 = 0.0_dp
44012 s_r_t2_6 = 0.0_dp
44013 r_tmp = r_offset + r1*zeta/(zeta + zetb)
44014 rr2_delta = -r_tmp/dr
44015
44016 rr2_l = ceiling(-r_c(2) + rr2_delta)
44017 rr2_r = floor(r_c(2) + rr2_delta)
44018
44019 r = r_tmp + (rr2_l)*dr
44020
44021
44022 DO rr2 = rr2_l, rr2_r
44023 r_pow_t = 1.0_dp
44024 exp2_rsq = exp(-alpha*r*r)
44025 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
44026 r_pow_t = r_pow_t*r
44027 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
44028 r_pow_t = r_pow_t*r
44029 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
44030 r_pow_t = r_pow_t*r
44031 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
44032 r_pow_t = r_pow_t*r
44033 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
44034 r_pow_t = r_pow_t*r
44035 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
44036 r_pow_t = r_pow_t*r
44037 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
44038
44039 r = r + dr
44040 END DO
44041
44042 ! C --> H
44043 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
44044 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
44045 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
44046 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
44047 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
44048 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
44049 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
44050 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
44051 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
44052 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
44053 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
44054 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
44055 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
44056 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
44057 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
44058 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
44059 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
44060 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
44061 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
44062 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
44063 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
44064 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
44065 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
44066 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
44067 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
44068 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
44069 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
44070 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
44071
44072 ! H --> HH
44073 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
44074
44075 c1 = 1.0_dp/(zeta + zetb)
44076 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
44077 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
44078
44079 e_0_1_0 = zeta*( &
44080 +c2*e_0_0_0&
44081
44082 )
44083 e_0_0_1 = zetb*( &
44084 +c3*e_0_0_0&
44085
44086 )
44087 e_1_1_0 = zeta*( c1*e_0_0_0 &
44088
44089
44090 )
44091 e_1_0_1 = zetb*( c1*e_0_0_0 &
44092
44093
44094 )
44095 e_0_2_0 = zeta*( &
44096 +c2*e_0_1_0&
44097 +2*e_1_1_0 &
44098 -2*e_0_0_0)
44099 e_0_1_1 = zetb*( &
44100 +c3*e_0_1_0&
44101 +2*e_1_1_0 &
44102 )
44103 e_1_2_0 = zeta*( c1*e_0_1_0 &
44104 +c2*e_1_1_0&
44105
44106 )
44107 e_1_1_1 = zetb*( c1*e_0_1_0 &
44108 +c3*e_1_1_0&
44109
44110 )
44111 e_2_2_0 = zeta*( c1*e_1_1_0 &
44112
44113
44114 )
44115 e_2_1_1 = zetb*( c1*e_1_1_0 &
44116
44117
44118 )
44119 e_0_3_0 = zeta*( &
44120 +c2*e_0_2_0&
44121 +2*e_1_2_0 &
44122 -4*e_0_1_0)
44123 e_0_2_1 = zetb*( &
44124 +c3*e_0_2_0&
44125 +2*e_1_2_0 &
44126 )
44127 e_1_3_0 = zeta*( c1*e_0_2_0 &
44128 +c2*e_1_2_0&
44129 +4*e_2_2_0 &
44130 -4*e_1_1_0)
44131 e_1_2_1 = zetb*( c1*e_0_2_0 &
44132 +c3*e_1_2_0&
44133 +4*e_2_2_0 &
44134 )
44135 e_2_3_0 = zeta*( c1*e_1_2_0 &
44136 +c2*e_2_2_0&
44137
44138 )
44139 e_2_2_1 = zetb*( c1*e_1_2_0 &
44140 +c3*e_2_2_0&
44141
44142 )
44143 e_3_3_0 = zeta*( c1*e_2_2_0 &
44144
44145
44146 )
44147 e_3_2_1 = zetb*( c1*e_2_2_0 &
44148
44149
44150 )
44151 e_0_4_0 = zeta*( &
44152 +c2*e_0_3_0&
44153 +2*e_1_3_0 &
44154 -6*e_0_2_0)
44155 e_0_3_1 = zetb*( &
44156 +c3*e_0_3_0&
44157 +2*e_1_3_0 &
44158 )
44159 e_1_4_0 = zeta*( c1*e_0_3_0 &
44160 +c2*e_1_3_0&
44161 +4*e_2_3_0 &
44162 -6*e_1_2_0)
44163 e_1_3_1 = zetb*( c1*e_0_3_0 &
44164 +c3*e_1_3_0&
44165 +4*e_2_3_0 &
44166 )
44167 e_2_4_0 = zeta*( c1*e_1_3_0 &
44168 +c2*e_2_3_0&
44169 +6*e_3_3_0 &
44170 -6*e_2_2_0)
44171 e_2_3_1 = zetb*( c1*e_1_3_0 &
44172 +c3*e_2_3_0&
44173 +6*e_3_3_0 &
44174 )
44175 e_3_4_0 = zeta*( c1*e_2_3_0 &
44176 +c2*e_3_3_0&
44177
44178 )
44179 e_3_3_1 = zetb*( c1*e_2_3_0 &
44180 +c3*e_3_3_0&
44181
44182 )
44183 e_4_4_0 = zeta*( c1*e_3_3_0 &
44184
44185
44186 )
44187 e_4_3_1 = zetb*( c1*e_3_3_0 &
44188
44189
44190 )
44191 e_0_4_1 = zetb*( &
44192 +c3*e_0_4_0&
44193 +2*e_1_4_0 &
44194 )
44195 e_1_4_1 = zetb*( c1*e_0_4_0 &
44196 +c3*e_1_4_0&
44197 +4*e_2_4_0 &
44198 )
44199 e_2_4_1 = zetb*( c1*e_1_4_0 &
44200 +c3*e_2_4_0&
44201 +6*e_3_4_0 &
44202 )
44203 e_3_4_1 = zetb*( c1*e_2_4_0 &
44204 +c3*e_3_4_0&
44205 +8*e_4_4_0 &
44206 )
44207 e_4_4_1 = zetb*( c1*e_3_4_0 &
44208 +c3*e_4_4_0&
44209
44210 )
44211 e_5_4_1 = zetb*( c1*e_4_4_0 &
44212
44213
44214 )
44215 e_0_1_1 = zeta*( &
44216 +c2*e_0_0_1&
44217 +2*e_1_0_1 &
44218 )
44219 e_0_0_2 = zetb*( &
44220 +c3*e_0_0_1&
44221 +2*e_1_0_1 &
44222 -2*e_0_0_0)
44223 e_1_1_1 = zeta*( c1*e_0_0_1 &
44224 +c2*e_1_0_1&
44225
44226 )
44227 e_1_0_2 = zetb*( c1*e_0_0_1 &
44228 +c3*e_1_0_1&
44229
44230 )
44231 e_2_1_1 = zeta*( c1*e_1_0_1 &
44232
44233
44234 )
44235 e_2_0_2 = zetb*( c1*e_1_0_1 &
44236
44237
44238 )
44239 e_0_2_1 = zeta*( &
44240 +c2*e_0_1_1&
44241 +2*e_1_1_1 &
44242 -2*e_0_0_1)
44243 e_0_1_2 = zetb*( &
44244 +c3*e_0_1_1&
44245 +2*e_1_1_1 &
44246 -2*e_0_1_0)
44247 e_1_2_1 = zeta*( c1*e_0_1_1 &
44248 +c2*e_1_1_1&
44249 +4*e_2_1_1 &
44250 -2*e_1_0_1)
44251 e_1_1_2 = zetb*( c1*e_0_1_1 &
44252 +c3*e_1_1_1&
44253 +4*e_2_1_1 &
44254 -2*e_1_1_0)
44255 e_2_2_1 = zeta*( c1*e_1_1_1 &
44256 +c2*e_2_1_1&
44257
44258 )
44259 e_2_1_2 = zetb*( c1*e_1_1_1 &
44260 +c3*e_2_1_1&
44261
44262 )
44263 e_3_2_1 = zeta*( c1*e_2_1_1 &
44264
44265
44266 )
44267 e_3_1_2 = zetb*( c1*e_2_1_1 &
44268
44269
44270 )
44271 e_0_3_1 = zeta*( &
44272 +c2*e_0_2_1&
44273 +2*e_1_2_1 &
44274 -4*e_0_1_1)
44275 e_0_2_2 = zetb*( &
44276 +c3*e_0_2_1&
44277 +2*e_1_2_1 &
44278 -2*e_0_2_0)
44279 e_1_3_1 = zeta*( c1*e_0_2_1 &
44280 +c2*e_1_2_1&
44281 +4*e_2_2_1 &
44282 -4*e_1_1_1)
44283 e_1_2_2 = zetb*( c1*e_0_2_1 &
44284 +c3*e_1_2_1&
44285 +4*e_2_2_1 &
44286 -2*e_1_2_0)
44287 e_2_3_1 = zeta*( c1*e_1_2_1 &
44288 +c2*e_2_2_1&
44289 +6*e_3_2_1 &
44290 -4*e_2_1_1)
44291 e_2_2_2 = zetb*( c1*e_1_2_1 &
44292 +c3*e_2_2_1&
44293 +6*e_3_2_1 &
44294 -2*e_2_2_0)
44295 e_3_3_1 = zeta*( c1*e_2_2_1 &
44296 +c2*e_3_2_1&
44297
44298 )
44299 e_3_2_2 = zetb*( c1*e_2_2_1 &
44300 +c3*e_3_2_1&
44301
44302 )
44303 e_4_3_1 = zeta*( c1*e_3_2_1 &
44304
44305
44306 )
44307 e_4_2_2 = zetb*( c1*e_3_2_1 &
44308
44309
44310 )
44311 e_0_4_1 = zeta*( &
44312 +c2*e_0_3_1&
44313 +2*e_1_3_1 &
44314 -6*e_0_2_1)
44315 e_0_3_2 = zetb*( &
44316 +c3*e_0_3_1&
44317 +2*e_1_3_1 &
44318 -2*e_0_3_0)
44319 e_1_4_1 = zeta*( c1*e_0_3_1 &
44320 +c2*e_1_3_1&
44321 +4*e_2_3_1 &
44322 -6*e_1_2_1)
44323 e_1_3_2 = zetb*( c1*e_0_3_1 &
44324 +c3*e_1_3_1&
44325 +4*e_2_3_1 &
44326 -2*e_1_3_0)
44327 e_2_4_1 = zeta*( c1*e_1_3_1 &
44328 +c2*e_2_3_1&
44329 +6*e_3_3_1 &
44330 -6*e_2_2_1)
44331 e_2_3_2 = zetb*( c1*e_1_3_1 &
44332 +c3*e_2_3_1&
44333 +6*e_3_3_1 &
44334 -2*e_2_3_0)
44335 e_3_4_1 = zeta*( c1*e_2_3_1 &
44336 +c2*e_3_3_1&
44337 +8*e_4_3_1 &
44338 -6*e_3_2_1)
44339 e_3_3_2 = zetb*( c1*e_2_3_1 &
44340 +c3*e_3_3_1&
44341 +8*e_4_3_1 &
44342 -2*e_3_3_0)
44343 e_4_4_1 = zeta*( c1*e_3_3_1 &
44344 +c2*e_4_3_1&
44345
44346 )
44347 e_4_3_2 = zetb*( c1*e_3_3_1 &
44348 +c3*e_4_3_1&
44349
44350 )
44351 e_5_4_1 = zeta*( c1*e_4_3_1 &
44352
44353
44354 )
44355 e_5_3_2 = zetb*( c1*e_4_3_1 &
44356
44357
44358 )
44359 e_0_4_2 = zetb*( &
44360 +c3*e_0_4_1&
44361 +2*e_1_4_1 &
44362 -2*e_0_4_0)
44363 e_1_4_2 = zetb*( c1*e_0_4_1 &
44364 +c3*e_1_4_1&
44365 +4*e_2_4_1 &
44366 -2*e_1_4_0)
44367 e_2_4_2 = zetb*( c1*e_1_4_1 &
44368 +c3*e_2_4_1&
44369 +6*e_3_4_1 &
44370 -2*e_2_4_0)
44371 e_3_4_2 = zetb*( c1*e_2_4_1 &
44372 +c3*e_3_4_1&
44373 +8*e_4_4_1 &
44374 -2*e_3_4_0)
44375 e_4_4_2 = zetb*( c1*e_3_4_1 &
44376 +c3*e_4_4_1&
44377 +10*e_5_4_1 &
44378 -2*e_4_4_0)
44379 e_5_4_2 = zetb*( c1*e_4_4_1 &
44380 +c3*e_5_4_1&
44381
44382 )
44383 e_6_4_2 = zetb*( c1*e_5_4_1 &
44384
44385
44386 )
44387 e_0_1_2 = zeta*( &
44388 +c2*e_0_0_2&
44389 +2*e_1_0_2 &
44390 )
44391 e_1_1_2 = zeta*( c1*e_0_0_2 &
44392 +c2*e_1_0_2&
44393 +4*e_2_0_2 &
44394 )
44395 e_2_1_2 = zeta*( c1*e_1_0_2 &
44396 +c2*e_2_0_2&
44397
44398 )
44399 e_3_1_2 = zeta*( c1*e_2_0_2 &
44400
44401
44402 )
44403 e_0_2_2 = zeta*( &
44404 +c2*e_0_1_2&
44405 +2*e_1_1_2 &
44406 -2*e_0_0_2)
44407 e_1_2_2 = zeta*( c1*e_0_1_2 &
44408 +c2*e_1_1_2&
44409 +4*e_2_1_2 &
44410 -2*e_1_0_2)
44411 e_2_2_2 = zeta*( c1*e_1_1_2 &
44412 +c2*e_2_1_2&
44413 +6*e_3_1_2 &
44414 -2*e_2_0_2)
44415 e_3_2_2 = zeta*( c1*e_2_1_2 &
44416 +c2*e_3_1_2&
44417
44418 )
44419 e_4_2_2 = zeta*( c1*e_3_1_2 &
44420
44421
44422 )
44423 e_0_3_2 = zeta*( &
44424 +c2*e_0_2_2&
44425 +2*e_1_2_2 &
44426 -4*e_0_1_2)
44427 e_1_3_2 = zeta*( c1*e_0_2_2 &
44428 +c2*e_1_2_2&
44429 +4*e_2_2_2 &
44430 -4*e_1_1_2)
44431 e_2_3_2 = zeta*( c1*e_1_2_2 &
44432 +c2*e_2_2_2&
44433 +6*e_3_2_2 &
44434 -4*e_2_1_2)
44435 e_3_3_2 = zeta*( c1*e_2_2_2 &
44436 +c2*e_3_2_2&
44437 +8*e_4_2_2 &
44438 -4*e_3_1_2)
44439 e_4_3_2 = zeta*( c1*e_3_2_2 &
44440 +c2*e_4_2_2&
44441
44442 )
44443 e_5_3_2 = zeta*( c1*e_4_2_2 &
44444
44445
44446 )
44447 e_0_4_2 = zeta*( &
44448 +c2*e_0_3_2&
44449 +2*e_1_3_2 &
44450 -6*e_0_2_2)
44451 e_1_4_2 = zeta*( c1*e_0_3_2 &
44452 +c2*e_1_3_2&
44453 +4*e_2_3_2 &
44454 -6*e_1_2_2)
44455 e_2_4_2 = zeta*( c1*e_1_3_2 &
44456 +c2*e_2_3_2&
44457 +6*e_3_3_2 &
44458 -6*e_2_2_2)
44459 e_3_4_2 = zeta*( c1*e_2_3_2 &
44460 +c2*e_3_3_2&
44461 +8*e_4_3_2 &
44462 -6*e_3_2_2)
44463 e_4_4_2 = zeta*( c1*e_3_3_2 &
44464 +c2*e_4_3_2&
44465 +10*e_5_3_2 &
44466 -6*e_4_2_2)
44467 e_5_4_2 = zeta*( c1*e_4_3_2 &
44468 +c2*e_5_3_2&
44469
44470 )
44471 e_6_4_2 = zeta*( c1*e_5_3_2 &
44472
44473
44474 )
44475
44476 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
44477 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
44478 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
44479 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
44480 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
44481 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
44482 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
44483 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
44484 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
44485 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
44486 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
44487 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
44488 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
44489 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
44490 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
44491 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
44492 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
44493 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
44494 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
44495 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
44496 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
44497 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
44498 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
44499 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
44500 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
44501 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
44502 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
44503 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
44504 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
44505 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
44506 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
44507 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
44508 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
44509 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
44510 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
44511 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
44512 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
44513 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
44514 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
44515 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
44516 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
44517 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
44518 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
44519 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
44520 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
44521 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
44522 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
44523 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
44524 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
44525 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
44526 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
44527 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
44528 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
44529 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
44530 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
44531 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
44532 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
44533 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
44534 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
44535 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
44536 r1 = r1 + dr
44537 END DO
44538
44539 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
44540 END SUBROUTINE
44541 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_1_exp_0 ( &
44542 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
44543 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
44544 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
44545 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
44546 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
44547 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
44548 r_pow_t, r_tmp, rr1_delta, rr2_delta
44549
44550 REAL(kind=dp) :: c1, c2, c3
44551 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
44552 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
44553 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
44554 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
44555 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
44556 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
44557 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
44558 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
44559 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
44560 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
44561 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
44562
44563
44564 dr = lgth
44565 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
44566
44567 s_r(:, :, :) = 0.0_dp
44568
44569 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
44570
44571 h_to_c_0_0 = sqrt(alpha/pi)
44572
44573 h_to_c_0_1 = 0.0_dp
44574 h_to_c_1_1 = +2*alpha*h_to_c_0_0
44575 h_to_c_0_2 = -1*h_to_c_1_1
44576 h_to_c_1_2 = +2*alpha*h_to_c_0_1
44577 h_to_c_2_2 = +2*alpha*h_to_c_1_1
44578 h_to_c_0_3 = -1*h_to_c_1_2
44579 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
44580 h_to_c_2_3 = +2*alpha*h_to_c_1_2
44581 h_to_c_3_3 = +2*alpha*h_to_c_2_2
44582 h_to_c_0_4 = -1*h_to_c_1_3
44583 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
44584 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
44585 h_to_c_3_4 = +2*alpha*h_to_c_2_3
44586 h_to_c_4_4 = +2*alpha*h_to_c_3_3
44587 h_to_c_0_5 = -1*h_to_c_1_4
44588 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
44589 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
44590 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
44591 h_to_c_4_5 = +2*alpha*h_to_c_3_4
44592 h_to_c_5_5 = +2*alpha*h_to_c_4_4
44593 h_to_c_0_6 = -1*h_to_c_1_5
44594 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
44595 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
44596 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
44597 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
44598 h_to_c_5_6 = +2*alpha*h_to_c_4_5
44599 h_to_c_6_6 = +2*alpha*h_to_c_5_5
44600 h_to_c_0_7 = -1*h_to_c_1_6
44601 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
44602 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
44603 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
44604 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
44605 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
44606 h_to_c_6_7 = +2*alpha*h_to_c_5_6
44607 h_to_c_7_7 = +2*alpha*h_to_c_6_6
44608
44609
44610 rr1_delta = (ra - rb)/dr
44611
44612 rr1_l = ceiling(-r_c(1) + rr1_delta)
44613 rr1_r = floor(r_c(1) + rr1_delta)
44614
44615 r1 = rr1_l*dr
44616
44617 alpha_e = zeta*zetb/(zeta + zetb)
44618
44619 DO rr1 = rr1_l, rr1_r
44620 s_r_t_0 = 0.0_dp
44621 s_r_t2_0 = 0.0_dp
44622 s_r_t_1 = 0.0_dp
44623 s_r_t2_1 = 0.0_dp
44624 s_r_t_2 = 0.0_dp
44625 s_r_t2_2 = 0.0_dp
44626 s_r_t_3 = 0.0_dp
44627 s_r_t2_3 = 0.0_dp
44628 s_r_t_4 = 0.0_dp
44629 s_r_t2_4 = 0.0_dp
44630 s_r_t_5 = 0.0_dp
44631 s_r_t2_5 = 0.0_dp
44632 s_r_t_6 = 0.0_dp
44633 s_r_t2_6 = 0.0_dp
44634 s_r_t_7 = 0.0_dp
44635 s_r_t2_7 = 0.0_dp
44636 r_tmp = r_offset + r1*zeta/(zeta + zetb)
44637 rr2_delta = -r_tmp/dr
44638
44639 rr2_l = ceiling(-r_c(2) + rr2_delta)
44640 rr2_r = floor(r_c(2) + rr2_delta)
44641
44642 r = r_tmp + (rr2_l)*dr
44643
44644
44645 DO rr2 = rr2_l, rr2_r
44646 r_pow_t = 1.0_dp
44647 exp2_rsq = exp(-alpha*r*r)
44648 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
44649 r_pow_t = r_pow_t*r
44650 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
44651 r_pow_t = r_pow_t*r
44652 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
44653 r_pow_t = r_pow_t*r
44654 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
44655 r_pow_t = r_pow_t*r
44656 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
44657 r_pow_t = r_pow_t*r
44658 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
44659 r_pow_t = r_pow_t*r
44660 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
44661 r_pow_t = r_pow_t*r
44662 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
44663
44664 r = r + dr
44665 END DO
44666
44667 ! C --> H
44668 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
44669 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
44670 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
44671 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
44672 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
44673 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
44674 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
44675 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
44676 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
44677 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
44678 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
44679 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
44680 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
44681 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
44682 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
44683 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
44684 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
44685 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
44686 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
44687 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
44688 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
44689 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
44690 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
44691 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
44692 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
44693 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
44694 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
44695 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
44696 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
44697 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
44698 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
44699 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
44700 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
44701 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
44702 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
44703 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
44704
44705 ! H --> HH
44706 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
44707
44708 c1 = 1.0_dp/(zeta + zetb)
44709 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
44710 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
44711
44712 e_0_1_0 = zeta*( &
44713 +c2*e_0_0_0&
44714
44715 )
44716 e_0_0_1 = zetb*( &
44717 +c3*e_0_0_0&
44718
44719 )
44720 e_1_1_0 = zeta*( c1*e_0_0_0 &
44721
44722
44723 )
44724 e_1_0_1 = zetb*( c1*e_0_0_0 &
44725
44726
44727 )
44728 e_0_2_0 = zeta*( &
44729 +c2*e_0_1_0&
44730 +2*e_1_1_0 &
44731 -2*e_0_0_0)
44732 e_0_1_1 = zetb*( &
44733 +c3*e_0_1_0&
44734 +2*e_1_1_0 &
44735 )
44736 e_1_2_0 = zeta*( c1*e_0_1_0 &
44737 +c2*e_1_1_0&
44738
44739 )
44740 e_1_1_1 = zetb*( c1*e_0_1_0 &
44741 +c3*e_1_1_0&
44742
44743 )
44744 e_2_2_0 = zeta*( c1*e_1_1_0 &
44745
44746
44747 )
44748 e_2_1_1 = zetb*( c1*e_1_1_0 &
44749
44750
44751 )
44752 e_0_3_0 = zeta*( &
44753 +c2*e_0_2_0&
44754 +2*e_1_2_0 &
44755 -4*e_0_1_0)
44756 e_0_2_1 = zetb*( &
44757 +c3*e_0_2_0&
44758 +2*e_1_2_0 &
44759 )
44760 e_1_3_0 = zeta*( c1*e_0_2_0 &
44761 +c2*e_1_2_0&
44762 +4*e_2_2_0 &
44763 -4*e_1_1_0)
44764 e_1_2_1 = zetb*( c1*e_0_2_0 &
44765 +c3*e_1_2_0&
44766 +4*e_2_2_0 &
44767 )
44768 e_2_3_0 = zeta*( c1*e_1_2_0 &
44769 +c2*e_2_2_0&
44770
44771 )
44772 e_2_2_1 = zetb*( c1*e_1_2_0 &
44773 +c3*e_2_2_0&
44774
44775 )
44776 e_3_3_0 = zeta*( c1*e_2_2_0 &
44777
44778
44779 )
44780 e_3_2_1 = zetb*( c1*e_2_2_0 &
44781
44782
44783 )
44784 e_0_4_0 = zeta*( &
44785 +c2*e_0_3_0&
44786 +2*e_1_3_0 &
44787 -6*e_0_2_0)
44788 e_0_3_1 = zetb*( &
44789 +c3*e_0_3_0&
44790 +2*e_1_3_0 &
44791 )
44792 e_1_4_0 = zeta*( c1*e_0_3_0 &
44793 +c2*e_1_3_0&
44794 +4*e_2_3_0 &
44795 -6*e_1_2_0)
44796 e_1_3_1 = zetb*( c1*e_0_3_0 &
44797 +c3*e_1_3_0&
44798 +4*e_2_3_0 &
44799 )
44800 e_2_4_0 = zeta*( c1*e_1_3_0 &
44801 +c2*e_2_3_0&
44802 +6*e_3_3_0 &
44803 -6*e_2_2_0)
44804 e_2_3_1 = zetb*( c1*e_1_3_0 &
44805 +c3*e_2_3_0&
44806 +6*e_3_3_0 &
44807 )
44808 e_3_4_0 = zeta*( c1*e_2_3_0 &
44809 +c2*e_3_3_0&
44810
44811 )
44812 e_3_3_1 = zetb*( c1*e_2_3_0 &
44813 +c3*e_3_3_0&
44814
44815 )
44816 e_4_4_0 = zeta*( c1*e_3_3_0 &
44817
44818
44819 )
44820 e_4_3_1 = zetb*( c1*e_3_3_0 &
44821
44822
44823 )
44824 e_0_4_1 = zetb*( &
44825 +c3*e_0_4_0&
44826 +2*e_1_4_0 &
44827 )
44828 e_1_4_1 = zetb*( c1*e_0_4_0 &
44829 +c3*e_1_4_0&
44830 +4*e_2_4_0 &
44831 )
44832 e_2_4_1 = zetb*( c1*e_1_4_0 &
44833 +c3*e_2_4_0&
44834 +6*e_3_4_0 &
44835 )
44836 e_3_4_1 = zetb*( c1*e_2_4_0 &
44837 +c3*e_3_4_0&
44838 +8*e_4_4_0 &
44839 )
44840 e_4_4_1 = zetb*( c1*e_3_4_0 &
44841 +c3*e_4_4_0&
44842
44843 )
44844 e_5_4_1 = zetb*( c1*e_4_4_0 &
44845
44846
44847 )
44848 e_0_1_1 = zeta*( &
44849 +c2*e_0_0_1&
44850 +2*e_1_0_1 &
44851 )
44852 e_0_0_2 = zetb*( &
44853 +c3*e_0_0_1&
44854 +2*e_1_0_1 &
44855 -2*e_0_0_0)
44856 e_1_1_1 = zeta*( c1*e_0_0_1 &
44857 +c2*e_1_0_1&
44858
44859 )
44860 e_1_0_2 = zetb*( c1*e_0_0_1 &
44861 +c3*e_1_0_1&
44862
44863 )
44864 e_2_1_1 = zeta*( c1*e_1_0_1 &
44865
44866
44867 )
44868 e_2_0_2 = zetb*( c1*e_1_0_1 &
44869
44870
44871 )
44872 e_0_2_1 = zeta*( &
44873 +c2*e_0_1_1&
44874 +2*e_1_1_1 &
44875 -2*e_0_0_1)
44876 e_0_1_2 = zetb*( &
44877 +c3*e_0_1_1&
44878 +2*e_1_1_1 &
44879 -2*e_0_1_0)
44880 e_1_2_1 = zeta*( c1*e_0_1_1 &
44881 +c2*e_1_1_1&
44882 +4*e_2_1_1 &
44883 -2*e_1_0_1)
44884 e_1_1_2 = zetb*( c1*e_0_1_1 &
44885 +c3*e_1_1_1&
44886 +4*e_2_1_1 &
44887 -2*e_1_1_0)
44888 e_2_2_1 = zeta*( c1*e_1_1_1 &
44889 +c2*e_2_1_1&
44890
44891 )
44892 e_2_1_2 = zetb*( c1*e_1_1_1 &
44893 +c3*e_2_1_1&
44894
44895 )
44896 e_3_2_1 = zeta*( c1*e_2_1_1 &
44897
44898
44899 )
44900 e_3_1_2 = zetb*( c1*e_2_1_1 &
44901
44902
44903 )
44904 e_0_3_1 = zeta*( &
44905 +c2*e_0_2_1&
44906 +2*e_1_2_1 &
44907 -4*e_0_1_1)
44908 e_0_2_2 = zetb*( &
44909 +c3*e_0_2_1&
44910 +2*e_1_2_1 &
44911 -2*e_0_2_0)
44912 e_1_3_1 = zeta*( c1*e_0_2_1 &
44913 +c2*e_1_2_1&
44914 +4*e_2_2_1 &
44915 -4*e_1_1_1)
44916 e_1_2_2 = zetb*( c1*e_0_2_1 &
44917 +c3*e_1_2_1&
44918 +4*e_2_2_1 &
44919 -2*e_1_2_0)
44920 e_2_3_1 = zeta*( c1*e_1_2_1 &
44921 +c2*e_2_2_1&
44922 +6*e_3_2_1 &
44923 -4*e_2_1_1)
44924 e_2_2_2 = zetb*( c1*e_1_2_1 &
44925 +c3*e_2_2_1&
44926 +6*e_3_2_1 &
44927 -2*e_2_2_0)
44928 e_3_3_1 = zeta*( c1*e_2_2_1 &
44929 +c2*e_3_2_1&
44930
44931 )
44932 e_3_2_2 = zetb*( c1*e_2_2_1 &
44933 +c3*e_3_2_1&
44934
44935 )
44936 e_4_3_1 = zeta*( c1*e_3_2_1 &
44937
44938
44939 )
44940 e_4_2_2 = zetb*( c1*e_3_2_1 &
44941
44942
44943 )
44944 e_0_4_1 = zeta*( &
44945 +c2*e_0_3_1&
44946 +2*e_1_3_1 &
44947 -6*e_0_2_1)
44948 e_0_3_2 = zetb*( &
44949 +c3*e_0_3_1&
44950 +2*e_1_3_1 &
44951 -2*e_0_3_0)
44952 e_1_4_1 = zeta*( c1*e_0_3_1 &
44953 +c2*e_1_3_1&
44954 +4*e_2_3_1 &
44955 -6*e_1_2_1)
44956 e_1_3_2 = zetb*( c1*e_0_3_1 &
44957 +c3*e_1_3_1&
44958 +4*e_2_3_1 &
44959 -2*e_1_3_0)
44960 e_2_4_1 = zeta*( c1*e_1_3_1 &
44961 +c2*e_2_3_1&
44962 +6*e_3_3_1 &
44963 -6*e_2_2_1)
44964 e_2_3_2 = zetb*( c1*e_1_3_1 &
44965 +c3*e_2_3_1&
44966 +6*e_3_3_1 &
44967 -2*e_2_3_0)
44968 e_3_4_1 = zeta*( c1*e_2_3_1 &
44969 +c2*e_3_3_1&
44970 +8*e_4_3_1 &
44971 -6*e_3_2_1)
44972 e_3_3_2 = zetb*( c1*e_2_3_1 &
44973 +c3*e_3_3_1&
44974 +8*e_4_3_1 &
44975 -2*e_3_3_0)
44976 e_4_4_1 = zeta*( c1*e_3_3_1 &
44977 +c2*e_4_3_1&
44978
44979 )
44980 e_4_3_2 = zetb*( c1*e_3_3_1 &
44981 +c3*e_4_3_1&
44982
44983 )
44984 e_5_4_1 = zeta*( c1*e_4_3_1 &
44985
44986
44987 )
44988 e_5_3_2 = zetb*( c1*e_4_3_1 &
44989
44990
44991 )
44992 e_0_4_2 = zetb*( &
44993 +c3*e_0_4_1&
44994 +2*e_1_4_1 &
44995 -2*e_0_4_0)
44996 e_1_4_2 = zetb*( c1*e_0_4_1 &
44997 +c3*e_1_4_1&
44998 +4*e_2_4_1 &
44999 -2*e_1_4_0)
45000 e_2_4_2 = zetb*( c1*e_1_4_1 &
45001 +c3*e_2_4_1&
45002 +6*e_3_4_1 &
45003 -2*e_2_4_0)
45004 e_3_4_2 = zetb*( c1*e_2_4_1 &
45005 +c3*e_3_4_1&
45006 +8*e_4_4_1 &
45007 -2*e_3_4_0)
45008 e_4_4_2 = zetb*( c1*e_3_4_1 &
45009 +c3*e_4_4_1&
45010 +10*e_5_4_1 &
45011 -2*e_4_4_0)
45012 e_5_4_2 = zetb*( c1*e_4_4_1 &
45013 +c3*e_5_4_1&
45014
45015 )
45016 e_6_4_2 = zetb*( c1*e_5_4_1 &
45017
45018
45019 )
45020 e_0_1_2 = zeta*( &
45021 +c2*e_0_0_2&
45022 +2*e_1_0_2 &
45023 )
45024 e_1_1_2 = zeta*( c1*e_0_0_2 &
45025 +c2*e_1_0_2&
45026 +4*e_2_0_2 &
45027 )
45028 e_2_1_2 = zeta*( c1*e_1_0_2 &
45029 +c2*e_2_0_2&
45030
45031 )
45032 e_3_1_2 = zeta*( c1*e_2_0_2 &
45033
45034
45035 )
45036 e_0_2_2 = zeta*( &
45037 +c2*e_0_1_2&
45038 +2*e_1_1_2 &
45039 -2*e_0_0_2)
45040 e_1_2_2 = zeta*( c1*e_0_1_2 &
45041 +c2*e_1_1_2&
45042 +4*e_2_1_2 &
45043 -2*e_1_0_2)
45044 e_2_2_2 = zeta*( c1*e_1_1_2 &
45045 +c2*e_2_1_2&
45046 +6*e_3_1_2 &
45047 -2*e_2_0_2)
45048 e_3_2_2 = zeta*( c1*e_2_1_2 &
45049 +c2*e_3_1_2&
45050
45051 )
45052 e_4_2_2 = zeta*( c1*e_3_1_2 &
45053
45054
45055 )
45056 e_0_3_2 = zeta*( &
45057 +c2*e_0_2_2&
45058 +2*e_1_2_2 &
45059 -4*e_0_1_2)
45060 e_1_3_2 = zeta*( c1*e_0_2_2 &
45061 +c2*e_1_2_2&
45062 +4*e_2_2_2 &
45063 -4*e_1_1_2)
45064 e_2_3_2 = zeta*( c1*e_1_2_2 &
45065 +c2*e_2_2_2&
45066 +6*e_3_2_2 &
45067 -4*e_2_1_2)
45068 e_3_3_2 = zeta*( c1*e_2_2_2 &
45069 +c2*e_3_2_2&
45070 +8*e_4_2_2 &
45071 -4*e_3_1_2)
45072 e_4_3_2 = zeta*( c1*e_3_2_2 &
45073 +c2*e_4_2_2&
45074
45075 )
45076 e_5_3_2 = zeta*( c1*e_4_2_2 &
45077
45078
45079 )
45080 e_0_4_2 = zeta*( &
45081 +c2*e_0_3_2&
45082 +2*e_1_3_2 &
45083 -6*e_0_2_2)
45084 e_1_4_2 = zeta*( c1*e_0_3_2 &
45085 +c2*e_1_3_2&
45086 +4*e_2_3_2 &
45087 -6*e_1_2_2)
45088 e_2_4_2 = zeta*( c1*e_1_3_2 &
45089 +c2*e_2_3_2&
45090 +6*e_3_3_2 &
45091 -6*e_2_2_2)
45092 e_3_4_2 = zeta*( c1*e_2_3_2 &
45093 +c2*e_3_3_2&
45094 +8*e_4_3_2 &
45095 -6*e_3_2_2)
45096 e_4_4_2 = zeta*( c1*e_3_3_2 &
45097 +c2*e_4_3_2&
45098 +10*e_5_3_2 &
45099 -6*e_4_2_2)
45100 e_5_4_2 = zeta*( c1*e_4_3_2 &
45101 +c2*e_5_3_2&
45102
45103 )
45104 e_6_4_2 = zeta*( c1*e_5_3_2 &
45105
45106
45107 )
45108
45109 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
45110 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
45111 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
45112 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
45113 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
45114 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45115 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
45116 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
45117 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45118 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45119 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
45120 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
45121 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45122 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45123 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45124 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
45125 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
45126 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
45127 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
45128 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45129 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
45130 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
45131 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45132 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45133 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
45134 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
45135 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45136 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45137 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45138 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
45139 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
45140 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45141 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45142 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45143 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45144 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
45145 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
45146 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45147 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
45148 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
45149 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45150 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45151 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
45152 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
45153 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45154 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45155 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45156 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
45157 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
45158 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45159 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45160 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45161 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45162 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
45163 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
45164 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45165 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
45166 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
45167 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
45168 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
45169 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
45170 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
45171 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
45172 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
45173 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
45174 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
45175 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
45176 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
45177 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
45178 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
45179 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
45180 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
45181 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
45182 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
45183 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
45184 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
45185 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
45186 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
45187 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
45188 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
45189 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
45190 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
45191 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
45192 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
45193 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
45194 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
45195 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
45196 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
45197 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
45198 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
45199 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
45200 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
45201 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
45202 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
45203 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
45204 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
45205 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
45206 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
45207 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
45208 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
45209 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
45210 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
45211 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
45212 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
45213 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
45214 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
45215 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
45216 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
45217 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
45218 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
45219 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
45220 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
45221 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
45222 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
45223 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
45224 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
45225 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
45226 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
45227 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
45228 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
45229 r1 = r1 + dr
45230 END DO
45231
45232 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
45233 END SUBROUTINE
45234 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_2_exp_0 ( &
45235 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
45236 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
45237 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
45238 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
45239 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
45240 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
45241 r_pow_t, r_tmp, rr1_delta, rr2_delta
45242
45243 REAL(kind=dp) :: c1, c2, c3
45244 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
45245 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
45246 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
45247 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
45248 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
45249 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
45250 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
45251 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
45252 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
45253 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
45254 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
45255 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
45256
45257
45258 dr = lgth
45259 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
45260
45261 s_r(:, :, :) = 0.0_dp
45262
45263 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
45264
45265 h_to_c_0_0 = sqrt(alpha/pi)
45266
45267 h_to_c_0_1 = 0.0_dp
45268 h_to_c_1_1 = +2*alpha*h_to_c_0_0
45269 h_to_c_0_2 = -1*h_to_c_1_1
45270 h_to_c_1_2 = +2*alpha*h_to_c_0_1
45271 h_to_c_2_2 = +2*alpha*h_to_c_1_1
45272 h_to_c_0_3 = -1*h_to_c_1_2
45273 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
45274 h_to_c_2_3 = +2*alpha*h_to_c_1_2
45275 h_to_c_3_3 = +2*alpha*h_to_c_2_2
45276 h_to_c_0_4 = -1*h_to_c_1_3
45277 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
45278 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
45279 h_to_c_3_4 = +2*alpha*h_to_c_2_3
45280 h_to_c_4_4 = +2*alpha*h_to_c_3_3
45281 h_to_c_0_5 = -1*h_to_c_1_4
45282 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
45283 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
45284 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
45285 h_to_c_4_5 = +2*alpha*h_to_c_3_4
45286 h_to_c_5_5 = +2*alpha*h_to_c_4_4
45287 h_to_c_0_6 = -1*h_to_c_1_5
45288 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
45289 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
45290 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
45291 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
45292 h_to_c_5_6 = +2*alpha*h_to_c_4_5
45293 h_to_c_6_6 = +2*alpha*h_to_c_5_5
45294 h_to_c_0_7 = -1*h_to_c_1_6
45295 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
45296 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
45297 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
45298 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
45299 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
45300 h_to_c_6_7 = +2*alpha*h_to_c_5_6
45301 h_to_c_7_7 = +2*alpha*h_to_c_6_6
45302 h_to_c_0_8 = -1*h_to_c_1_7
45303 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
45304 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
45305 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
45306 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
45307 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
45308 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
45309 h_to_c_7_8 = +2*alpha*h_to_c_6_7
45310 h_to_c_8_8 = +2*alpha*h_to_c_7_7
45311
45312
45313 rr1_delta = (ra - rb)/dr
45314
45315 rr1_l = ceiling(-r_c(1) + rr1_delta)
45316 rr1_r = floor(r_c(1) + rr1_delta)
45317
45318 r1 = rr1_l*dr
45319
45320 alpha_e = zeta*zetb/(zeta + zetb)
45321
45322 DO rr1 = rr1_l, rr1_r
45323 s_r_t_0 = 0.0_dp
45324 s_r_t2_0 = 0.0_dp
45325 s_r_t_1 = 0.0_dp
45326 s_r_t2_1 = 0.0_dp
45327 s_r_t_2 = 0.0_dp
45328 s_r_t2_2 = 0.0_dp
45329 s_r_t_3 = 0.0_dp
45330 s_r_t2_3 = 0.0_dp
45331 s_r_t_4 = 0.0_dp
45332 s_r_t2_4 = 0.0_dp
45333 s_r_t_5 = 0.0_dp
45334 s_r_t2_5 = 0.0_dp
45335 s_r_t_6 = 0.0_dp
45336 s_r_t2_6 = 0.0_dp
45337 s_r_t_7 = 0.0_dp
45338 s_r_t2_7 = 0.0_dp
45339 s_r_t_8 = 0.0_dp
45340 s_r_t2_8 = 0.0_dp
45341 r_tmp = r_offset + r1*zeta/(zeta + zetb)
45342 rr2_delta = -r_tmp/dr
45343
45344 rr2_l = ceiling(-r_c(2) + rr2_delta)
45345 rr2_r = floor(r_c(2) + rr2_delta)
45346
45347 r = r_tmp + (rr2_l)*dr
45348
45349
45350 DO rr2 = rr2_l, rr2_r
45351 r_pow_t = 1.0_dp
45352 exp2_rsq = exp(-alpha*r*r)
45353 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
45354 r_pow_t = r_pow_t*r
45355 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
45356 r_pow_t = r_pow_t*r
45357 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
45358 r_pow_t = r_pow_t*r
45359 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
45360 r_pow_t = r_pow_t*r
45361 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
45362 r_pow_t = r_pow_t*r
45363 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
45364 r_pow_t = r_pow_t*r
45365 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
45366 r_pow_t = r_pow_t*r
45367 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
45368 r_pow_t = r_pow_t*r
45369 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
45370
45371 r = r + dr
45372 END DO
45373
45374 ! C --> H
45375 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
45376 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
45377 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
45378 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
45379 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
45380 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
45381 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
45382 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
45383 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
45384 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
45385 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
45386 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
45387 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
45388 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
45389 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
45390 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
45391 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
45392 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
45393 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
45394 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
45395 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
45396 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
45397 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
45398 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
45399 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
45400 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
45401 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
45402 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
45403 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
45404 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
45405 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
45406 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
45407 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
45408 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
45409 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
45410 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
45411 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
45412 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
45413 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
45414 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
45415 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
45416 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
45417 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
45418 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
45419 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
45420
45421 ! H --> HH
45422 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
45423
45424 c1 = 1.0_dp/(zeta + zetb)
45425 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
45426 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
45427
45428 e_0_1_0 = zeta*( &
45429 +c2*e_0_0_0&
45430
45431 )
45432 e_0_0_1 = zetb*( &
45433 +c3*e_0_0_0&
45434
45435 )
45436 e_1_1_0 = zeta*( c1*e_0_0_0 &
45437
45438
45439 )
45440 e_1_0_1 = zetb*( c1*e_0_0_0 &
45441
45442
45443 )
45444 e_0_2_0 = zeta*( &
45445 +c2*e_0_1_0&
45446 +2*e_1_1_0 &
45447 -2*e_0_0_0)
45448 e_0_1_1 = zetb*( &
45449 +c3*e_0_1_0&
45450 +2*e_1_1_0 &
45451 )
45452 e_1_2_0 = zeta*( c1*e_0_1_0 &
45453 +c2*e_1_1_0&
45454
45455 )
45456 e_1_1_1 = zetb*( c1*e_0_1_0 &
45457 +c3*e_1_1_0&
45458
45459 )
45460 e_2_2_0 = zeta*( c1*e_1_1_0 &
45461
45462
45463 )
45464 e_2_1_1 = zetb*( c1*e_1_1_0 &
45465
45466
45467 )
45468 e_0_3_0 = zeta*( &
45469 +c2*e_0_2_0&
45470 +2*e_1_2_0 &
45471 -4*e_0_1_0)
45472 e_0_2_1 = zetb*( &
45473 +c3*e_0_2_0&
45474 +2*e_1_2_0 &
45475 )
45476 e_1_3_0 = zeta*( c1*e_0_2_0 &
45477 +c2*e_1_2_0&
45478 +4*e_2_2_0 &
45479 -4*e_1_1_0)
45480 e_1_2_1 = zetb*( c1*e_0_2_0 &
45481 +c3*e_1_2_0&
45482 +4*e_2_2_0 &
45483 )
45484 e_2_3_0 = zeta*( c1*e_1_2_0 &
45485 +c2*e_2_2_0&
45486
45487 )
45488 e_2_2_1 = zetb*( c1*e_1_2_0 &
45489 +c3*e_2_2_0&
45490
45491 )
45492 e_3_3_0 = zeta*( c1*e_2_2_0 &
45493
45494
45495 )
45496 e_3_2_1 = zetb*( c1*e_2_2_0 &
45497
45498
45499 )
45500 e_0_4_0 = zeta*( &
45501 +c2*e_0_3_0&
45502 +2*e_1_3_0 &
45503 -6*e_0_2_0)
45504 e_0_3_1 = zetb*( &
45505 +c3*e_0_3_0&
45506 +2*e_1_3_0 &
45507 )
45508 e_1_4_0 = zeta*( c1*e_0_3_0 &
45509 +c2*e_1_3_0&
45510 +4*e_2_3_0 &
45511 -6*e_1_2_0)
45512 e_1_3_1 = zetb*( c1*e_0_3_0 &
45513 +c3*e_1_3_0&
45514 +4*e_2_3_0 &
45515 )
45516 e_2_4_0 = zeta*( c1*e_1_3_0 &
45517 +c2*e_2_3_0&
45518 +6*e_3_3_0 &
45519 -6*e_2_2_0)
45520 e_2_3_1 = zetb*( c1*e_1_3_0 &
45521 +c3*e_2_3_0&
45522 +6*e_3_3_0 &
45523 )
45524 e_3_4_0 = zeta*( c1*e_2_3_0 &
45525 +c2*e_3_3_0&
45526
45527 )
45528 e_3_3_1 = zetb*( c1*e_2_3_0 &
45529 +c3*e_3_3_0&
45530
45531 )
45532 e_4_4_0 = zeta*( c1*e_3_3_0 &
45533
45534
45535 )
45536 e_4_3_1 = zetb*( c1*e_3_3_0 &
45537
45538
45539 )
45540 e_0_4_1 = zetb*( &
45541 +c3*e_0_4_0&
45542 +2*e_1_4_0 &
45543 )
45544 e_1_4_1 = zetb*( c1*e_0_4_0 &
45545 +c3*e_1_4_0&
45546 +4*e_2_4_0 &
45547 )
45548 e_2_4_1 = zetb*( c1*e_1_4_0 &
45549 +c3*e_2_4_0&
45550 +6*e_3_4_0 &
45551 )
45552 e_3_4_1 = zetb*( c1*e_2_4_0 &
45553 +c3*e_3_4_0&
45554 +8*e_4_4_0 &
45555 )
45556 e_4_4_1 = zetb*( c1*e_3_4_0 &
45557 +c3*e_4_4_0&
45558
45559 )
45560 e_5_4_1 = zetb*( c1*e_4_4_0 &
45561
45562
45563 )
45564 e_0_1_1 = zeta*( &
45565 +c2*e_0_0_1&
45566 +2*e_1_0_1 &
45567 )
45568 e_0_0_2 = zetb*( &
45569 +c3*e_0_0_1&
45570 +2*e_1_0_1 &
45571 -2*e_0_0_0)
45572 e_1_1_1 = zeta*( c1*e_0_0_1 &
45573 +c2*e_1_0_1&
45574
45575 )
45576 e_1_0_2 = zetb*( c1*e_0_0_1 &
45577 +c3*e_1_0_1&
45578
45579 )
45580 e_2_1_1 = zeta*( c1*e_1_0_1 &
45581
45582
45583 )
45584 e_2_0_2 = zetb*( c1*e_1_0_1 &
45585
45586
45587 )
45588 e_0_2_1 = zeta*( &
45589 +c2*e_0_1_1&
45590 +2*e_1_1_1 &
45591 -2*e_0_0_1)
45592 e_0_1_2 = zetb*( &
45593 +c3*e_0_1_1&
45594 +2*e_1_1_1 &
45595 -2*e_0_1_0)
45596 e_1_2_1 = zeta*( c1*e_0_1_1 &
45597 +c2*e_1_1_1&
45598 +4*e_2_1_1 &
45599 -2*e_1_0_1)
45600 e_1_1_2 = zetb*( c1*e_0_1_1 &
45601 +c3*e_1_1_1&
45602 +4*e_2_1_1 &
45603 -2*e_1_1_0)
45604 e_2_2_1 = zeta*( c1*e_1_1_1 &
45605 +c2*e_2_1_1&
45606
45607 )
45608 e_2_1_2 = zetb*( c1*e_1_1_1 &
45609 +c3*e_2_1_1&
45610
45611 )
45612 e_3_2_1 = zeta*( c1*e_2_1_1 &
45613
45614
45615 )
45616 e_3_1_2 = zetb*( c1*e_2_1_1 &
45617
45618
45619 )
45620 e_0_3_1 = zeta*( &
45621 +c2*e_0_2_1&
45622 +2*e_1_2_1 &
45623 -4*e_0_1_1)
45624 e_0_2_2 = zetb*( &
45625 +c3*e_0_2_1&
45626 +2*e_1_2_1 &
45627 -2*e_0_2_0)
45628 e_1_3_1 = zeta*( c1*e_0_2_1 &
45629 +c2*e_1_2_1&
45630 +4*e_2_2_1 &
45631 -4*e_1_1_1)
45632 e_1_2_2 = zetb*( c1*e_0_2_1 &
45633 +c3*e_1_2_1&
45634 +4*e_2_2_1 &
45635 -2*e_1_2_0)
45636 e_2_3_1 = zeta*( c1*e_1_2_1 &
45637 +c2*e_2_2_1&
45638 +6*e_3_2_1 &
45639 -4*e_2_1_1)
45640 e_2_2_2 = zetb*( c1*e_1_2_1 &
45641 +c3*e_2_2_1&
45642 +6*e_3_2_1 &
45643 -2*e_2_2_0)
45644 e_3_3_1 = zeta*( c1*e_2_2_1 &
45645 +c2*e_3_2_1&
45646
45647 )
45648 e_3_2_2 = zetb*( c1*e_2_2_1 &
45649 +c3*e_3_2_1&
45650
45651 )
45652 e_4_3_1 = zeta*( c1*e_3_2_1 &
45653
45654
45655 )
45656 e_4_2_2 = zetb*( c1*e_3_2_1 &
45657
45658
45659 )
45660 e_0_4_1 = zeta*( &
45661 +c2*e_0_3_1&
45662 +2*e_1_3_1 &
45663 -6*e_0_2_1)
45664 e_0_3_2 = zetb*( &
45665 +c3*e_0_3_1&
45666 +2*e_1_3_1 &
45667 -2*e_0_3_0)
45668 e_1_4_1 = zeta*( c1*e_0_3_1 &
45669 +c2*e_1_3_1&
45670 +4*e_2_3_1 &
45671 -6*e_1_2_1)
45672 e_1_3_2 = zetb*( c1*e_0_3_1 &
45673 +c3*e_1_3_1&
45674 +4*e_2_3_1 &
45675 -2*e_1_3_0)
45676 e_2_4_1 = zeta*( c1*e_1_3_1 &
45677 +c2*e_2_3_1&
45678 +6*e_3_3_1 &
45679 -6*e_2_2_1)
45680 e_2_3_2 = zetb*( c1*e_1_3_1 &
45681 +c3*e_2_3_1&
45682 +6*e_3_3_1 &
45683 -2*e_2_3_0)
45684 e_3_4_1 = zeta*( c1*e_2_3_1 &
45685 +c2*e_3_3_1&
45686 +8*e_4_3_1 &
45687 -6*e_3_2_1)
45688 e_3_3_2 = zetb*( c1*e_2_3_1 &
45689 +c3*e_3_3_1&
45690 +8*e_4_3_1 &
45691 -2*e_3_3_0)
45692 e_4_4_1 = zeta*( c1*e_3_3_1 &
45693 +c2*e_4_3_1&
45694
45695 )
45696 e_4_3_2 = zetb*( c1*e_3_3_1 &
45697 +c3*e_4_3_1&
45698
45699 )
45700 e_5_4_1 = zeta*( c1*e_4_3_1 &
45701
45702
45703 )
45704 e_5_3_2 = zetb*( c1*e_4_3_1 &
45705
45706
45707 )
45708 e_0_4_2 = zetb*( &
45709 +c3*e_0_4_1&
45710 +2*e_1_4_1 &
45711 -2*e_0_4_0)
45712 e_1_4_2 = zetb*( c1*e_0_4_1 &
45713 +c3*e_1_4_1&
45714 +4*e_2_4_1 &
45715 -2*e_1_4_0)
45716 e_2_4_2 = zetb*( c1*e_1_4_1 &
45717 +c3*e_2_4_1&
45718 +6*e_3_4_1 &
45719 -2*e_2_4_0)
45720 e_3_4_2 = zetb*( c1*e_2_4_1 &
45721 +c3*e_3_4_1&
45722 +8*e_4_4_1 &
45723 -2*e_3_4_0)
45724 e_4_4_2 = zetb*( c1*e_3_4_1 &
45725 +c3*e_4_4_1&
45726 +10*e_5_4_1 &
45727 -2*e_4_4_0)
45728 e_5_4_2 = zetb*( c1*e_4_4_1 &
45729 +c3*e_5_4_1&
45730
45731 )
45732 e_6_4_2 = zetb*( c1*e_5_4_1 &
45733
45734
45735 )
45736 e_0_1_2 = zeta*( &
45737 +c2*e_0_0_2&
45738 +2*e_1_0_2 &
45739 )
45740 e_1_1_2 = zeta*( c1*e_0_0_2 &
45741 +c2*e_1_0_2&
45742 +4*e_2_0_2 &
45743 )
45744 e_2_1_2 = zeta*( c1*e_1_0_2 &
45745 +c2*e_2_0_2&
45746
45747 )
45748 e_3_1_2 = zeta*( c1*e_2_0_2 &
45749
45750
45751 )
45752 e_0_2_2 = zeta*( &
45753 +c2*e_0_1_2&
45754 +2*e_1_1_2 &
45755 -2*e_0_0_2)
45756 e_1_2_2 = zeta*( c1*e_0_1_2 &
45757 +c2*e_1_1_2&
45758 +4*e_2_1_2 &
45759 -2*e_1_0_2)
45760 e_2_2_2 = zeta*( c1*e_1_1_2 &
45761 +c2*e_2_1_2&
45762 +6*e_3_1_2 &
45763 -2*e_2_0_2)
45764 e_3_2_2 = zeta*( c1*e_2_1_2 &
45765 +c2*e_3_1_2&
45766
45767 )
45768 e_4_2_2 = zeta*( c1*e_3_1_2 &
45769
45770
45771 )
45772 e_0_3_2 = zeta*( &
45773 +c2*e_0_2_2&
45774 +2*e_1_2_2 &
45775 -4*e_0_1_2)
45776 e_1_3_2 = zeta*( c1*e_0_2_2 &
45777 +c2*e_1_2_2&
45778 +4*e_2_2_2 &
45779 -4*e_1_1_2)
45780 e_2_3_2 = zeta*( c1*e_1_2_2 &
45781 +c2*e_2_2_2&
45782 +6*e_3_2_2 &
45783 -4*e_2_1_2)
45784 e_3_3_2 = zeta*( c1*e_2_2_2 &
45785 +c2*e_3_2_2&
45786 +8*e_4_2_2 &
45787 -4*e_3_1_2)
45788 e_4_3_2 = zeta*( c1*e_3_2_2 &
45789 +c2*e_4_2_2&
45790
45791 )
45792 e_5_3_2 = zeta*( c1*e_4_2_2 &
45793
45794
45795 )
45796 e_0_4_2 = zeta*( &
45797 +c2*e_0_3_2&
45798 +2*e_1_3_2 &
45799 -6*e_0_2_2)
45800 e_1_4_2 = zeta*( c1*e_0_3_2 &
45801 +c2*e_1_3_2&
45802 +4*e_2_3_2 &
45803 -6*e_1_2_2)
45804 e_2_4_2 = zeta*( c1*e_1_3_2 &
45805 +c2*e_2_3_2&
45806 +6*e_3_3_2 &
45807 -6*e_2_2_2)
45808 e_3_4_2 = zeta*( c1*e_2_3_2 &
45809 +c2*e_3_3_2&
45810 +8*e_4_3_2 &
45811 -6*e_3_2_2)
45812 e_4_4_2 = zeta*( c1*e_3_3_2 &
45813 +c2*e_4_3_2&
45814 +10*e_5_3_2 &
45815 -6*e_4_2_2)
45816 e_5_4_2 = zeta*( c1*e_4_3_2 &
45817 +c2*e_5_3_2&
45818
45819 )
45820 e_6_4_2 = zeta*( c1*e_5_3_2 &
45821
45822
45823 )
45824
45825 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
45826 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
45827 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
45828 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
45829 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
45830 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45831 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
45832 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
45833 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45834 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45835 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
45836 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
45837 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45838 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45839 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45840 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
45841 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
45842 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
45843 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
45844 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45845 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
45846 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
45847 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45848 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45849 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
45850 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
45851 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45852 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45853 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45854 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
45855 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
45856 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45857 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45858 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45859 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45860 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
45861 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
45862 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45863 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
45864 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
45865 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45866 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45867 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
45868 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
45869 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45870 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45871 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45872 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
45873 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
45874 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45875 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45876 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45877 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45878 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
45879 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
45880 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45881 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
45882 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
45883 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
45884 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
45885 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
45886 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
45887 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
45888 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
45889 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
45890 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
45891 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
45892 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
45893 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
45894 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
45895 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
45896 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
45897 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
45898 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
45899 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
45900 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
45901 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
45902 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
45903 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
45904 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
45905 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
45906 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
45907 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
45908 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
45909 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
45910 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
45911 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
45912 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
45913 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
45914 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
45915 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
45916 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
45917 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
45918 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
45919 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
45920 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
45921 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
45922 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
45923 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
45924 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
45925 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
45926 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
45927 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
45928 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
45929 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
45930 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
45931 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
45932 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
45933 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
45934 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
45935 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
45936 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
45937 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
45938 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
45939 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
45940 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
45941 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
45942 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
45943 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
45944 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
45945 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
45946 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
45947 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
45948 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45949 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
45950 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
45951 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45952 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45953 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
45954 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
45955 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45956 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45957 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45958 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
45959 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
45960 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
45961 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
45962 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45963 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
45964 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
45965 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45966 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45967 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
45968 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
45969 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45970 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45971 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45972 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
45973 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
45974 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45975 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45976 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45977 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45978 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
45979 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
45980 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45981 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
45982 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
45983 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45984 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45985 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
45986 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
45987 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45988 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45989 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45990 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
45991 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
45992 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45993 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45994 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45995 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45996 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
45997 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
45998 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45999 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46000 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46001 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46002 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46003 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
46004 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
46005 r1 = r1 + dr
46006 END DO
46007
46008 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
46009 END SUBROUTINE
46010 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_3_exp_0 ( &
46011 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
46012 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
46013 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
46014 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
46015 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
46016 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
46017 r_pow_t, r_tmp, rr1_delta, rr2_delta
46018
46019 REAL(kind=dp) :: c1, c2, c3
46020 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
46021 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
46022 & s_r_t2_9
46023 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
46024 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
46025 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
46026 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
46027 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
46028 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
46029 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
46030 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
46031 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
46032 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
46033 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
46034
46035
46036 dr = lgth
46037 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
46038
46039 s_r(:, :, :) = 0.0_dp
46040
46041 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
46042
46043 h_to_c_0_0 = sqrt(alpha/pi)
46044
46045 h_to_c_0_1 = 0.0_dp
46046 h_to_c_1_1 = +2*alpha*h_to_c_0_0
46047 h_to_c_0_2 = -1*h_to_c_1_1
46048 h_to_c_1_2 = +2*alpha*h_to_c_0_1
46049 h_to_c_2_2 = +2*alpha*h_to_c_1_1
46050 h_to_c_0_3 = -1*h_to_c_1_2
46051 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
46052 h_to_c_2_3 = +2*alpha*h_to_c_1_2
46053 h_to_c_3_3 = +2*alpha*h_to_c_2_2
46054 h_to_c_0_4 = -1*h_to_c_1_3
46055 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
46056 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
46057 h_to_c_3_4 = +2*alpha*h_to_c_2_3
46058 h_to_c_4_4 = +2*alpha*h_to_c_3_3
46059 h_to_c_0_5 = -1*h_to_c_1_4
46060 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
46061 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
46062 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
46063 h_to_c_4_5 = +2*alpha*h_to_c_3_4
46064 h_to_c_5_5 = +2*alpha*h_to_c_4_4
46065 h_to_c_0_6 = -1*h_to_c_1_5
46066 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
46067 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
46068 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
46069 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
46070 h_to_c_5_6 = +2*alpha*h_to_c_4_5
46071 h_to_c_6_6 = +2*alpha*h_to_c_5_5
46072 h_to_c_0_7 = -1*h_to_c_1_6
46073 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
46074 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
46075 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
46076 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
46077 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
46078 h_to_c_6_7 = +2*alpha*h_to_c_5_6
46079 h_to_c_7_7 = +2*alpha*h_to_c_6_6
46080 h_to_c_0_8 = -1*h_to_c_1_7
46081 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
46082 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
46083 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
46084 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
46085 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
46086 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
46087 h_to_c_7_8 = +2*alpha*h_to_c_6_7
46088 h_to_c_8_8 = +2*alpha*h_to_c_7_7
46089 h_to_c_0_9 = -1*h_to_c_1_8
46090 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
46091 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
46092 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
46093 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
46094 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
46095 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
46096 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
46097 h_to_c_8_9 = +2*alpha*h_to_c_7_8
46098 h_to_c_9_9 = +2*alpha*h_to_c_8_8
46099
46100
46101 rr1_delta = (ra - rb)/dr
46102
46103 rr1_l = ceiling(-r_c(1) + rr1_delta)
46104 rr1_r = floor(r_c(1) + rr1_delta)
46105
46106 r1 = rr1_l*dr
46107
46108 alpha_e = zeta*zetb/(zeta + zetb)
46109
46110 DO rr1 = rr1_l, rr1_r
46111 s_r_t_0 = 0.0_dp
46112 s_r_t2_0 = 0.0_dp
46113 s_r_t_1 = 0.0_dp
46114 s_r_t2_1 = 0.0_dp
46115 s_r_t_2 = 0.0_dp
46116 s_r_t2_2 = 0.0_dp
46117 s_r_t_3 = 0.0_dp
46118 s_r_t2_3 = 0.0_dp
46119 s_r_t_4 = 0.0_dp
46120 s_r_t2_4 = 0.0_dp
46121 s_r_t_5 = 0.0_dp
46122 s_r_t2_5 = 0.0_dp
46123 s_r_t_6 = 0.0_dp
46124 s_r_t2_6 = 0.0_dp
46125 s_r_t_7 = 0.0_dp
46126 s_r_t2_7 = 0.0_dp
46127 s_r_t_8 = 0.0_dp
46128 s_r_t2_8 = 0.0_dp
46129 s_r_t_9 = 0.0_dp
46130 s_r_t2_9 = 0.0_dp
46131 r_tmp = r_offset + r1*zeta/(zeta + zetb)
46132 rr2_delta = -r_tmp/dr
46133
46134 rr2_l = ceiling(-r_c(2) + rr2_delta)
46135 rr2_r = floor(r_c(2) + rr2_delta)
46136
46137 r = r_tmp + (rr2_l)*dr
46138
46139
46140 DO rr2 = rr2_l, rr2_r
46141 r_pow_t = 1.0_dp
46142 exp2_rsq = exp(-alpha*r*r)
46143 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
46144 r_pow_t = r_pow_t*r
46145 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
46146 r_pow_t = r_pow_t*r
46147 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
46148 r_pow_t = r_pow_t*r
46149 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
46150 r_pow_t = r_pow_t*r
46151 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
46152 r_pow_t = r_pow_t*r
46153 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
46154 r_pow_t = r_pow_t*r
46155 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
46156 r_pow_t = r_pow_t*r
46157 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
46158 r_pow_t = r_pow_t*r
46159 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
46160 r_pow_t = r_pow_t*r
46161 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
46162
46163 r = r + dr
46164 END DO
46165
46166 ! C --> H
46167 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
46168 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
46169 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
46170 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
46171 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
46172 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
46173 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
46174 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
46175 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
46176 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
46177 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
46178 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
46179 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
46180 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
46181 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
46182 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
46183 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
46184 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
46185 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
46186 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
46187 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
46188 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
46189 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
46190 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
46191 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
46192 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
46193 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
46194 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
46195 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
46196 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
46197 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
46198 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
46199 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
46200 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
46201 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
46202 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
46203 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
46204 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
46205 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
46206 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
46207 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
46208 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
46209 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
46210 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
46211 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
46212 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
46213 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
46214 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
46215 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
46216 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
46217 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
46218 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
46219 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
46220 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
46221 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
46222
46223 ! H --> HH
46224 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
46225
46226 c1 = 1.0_dp/(zeta + zetb)
46227 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
46228 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
46229
46230 e_0_1_0 = zeta*( &
46231 +c2*e_0_0_0&
46232
46233 )
46234 e_0_0_1 = zetb*( &
46235 +c3*e_0_0_0&
46236
46237 )
46238 e_1_1_0 = zeta*( c1*e_0_0_0 &
46239
46240
46241 )
46242 e_1_0_1 = zetb*( c1*e_0_0_0 &
46243
46244
46245 )
46246 e_0_2_0 = zeta*( &
46247 +c2*e_0_1_0&
46248 +2*e_1_1_0 &
46249 -2*e_0_0_0)
46250 e_0_1_1 = zetb*( &
46251 +c3*e_0_1_0&
46252 +2*e_1_1_0 &
46253 )
46254 e_1_2_0 = zeta*( c1*e_0_1_0 &
46255 +c2*e_1_1_0&
46256
46257 )
46258 e_1_1_1 = zetb*( c1*e_0_1_0 &
46259 +c3*e_1_1_0&
46260
46261 )
46262 e_2_2_0 = zeta*( c1*e_1_1_0 &
46263
46264
46265 )
46266 e_2_1_1 = zetb*( c1*e_1_1_0 &
46267
46268
46269 )
46270 e_0_3_0 = zeta*( &
46271 +c2*e_0_2_0&
46272 +2*e_1_2_0 &
46273 -4*e_0_1_0)
46274 e_0_2_1 = zetb*( &
46275 +c3*e_0_2_0&
46276 +2*e_1_2_0 &
46277 )
46278 e_1_3_0 = zeta*( c1*e_0_2_0 &
46279 +c2*e_1_2_0&
46280 +4*e_2_2_0 &
46281 -4*e_1_1_0)
46282 e_1_2_1 = zetb*( c1*e_0_2_0 &
46283 +c3*e_1_2_0&
46284 +4*e_2_2_0 &
46285 )
46286 e_2_3_0 = zeta*( c1*e_1_2_0 &
46287 +c2*e_2_2_0&
46288
46289 )
46290 e_2_2_1 = zetb*( c1*e_1_2_0 &
46291 +c3*e_2_2_0&
46292
46293 )
46294 e_3_3_0 = zeta*( c1*e_2_2_0 &
46295
46296
46297 )
46298 e_3_2_1 = zetb*( c1*e_2_2_0 &
46299
46300
46301 )
46302 e_0_4_0 = zeta*( &
46303 +c2*e_0_3_0&
46304 +2*e_1_3_0 &
46305 -6*e_0_2_0)
46306 e_0_3_1 = zetb*( &
46307 +c3*e_0_3_0&
46308 +2*e_1_3_0 &
46309 )
46310 e_1_4_0 = zeta*( c1*e_0_3_0 &
46311 +c2*e_1_3_0&
46312 +4*e_2_3_0 &
46313 -6*e_1_2_0)
46314 e_1_3_1 = zetb*( c1*e_0_3_0 &
46315 +c3*e_1_3_0&
46316 +4*e_2_3_0 &
46317 )
46318 e_2_4_0 = zeta*( c1*e_1_3_0 &
46319 +c2*e_2_3_0&
46320 +6*e_3_3_0 &
46321 -6*e_2_2_0)
46322 e_2_3_1 = zetb*( c1*e_1_3_0 &
46323 +c3*e_2_3_0&
46324 +6*e_3_3_0 &
46325 )
46326 e_3_4_0 = zeta*( c1*e_2_3_0 &
46327 +c2*e_3_3_0&
46328
46329 )
46330 e_3_3_1 = zetb*( c1*e_2_3_0 &
46331 +c3*e_3_3_0&
46332
46333 )
46334 e_4_4_0 = zeta*( c1*e_3_3_0 &
46335
46336
46337 )
46338 e_4_3_1 = zetb*( c1*e_3_3_0 &
46339
46340
46341 )
46342 e_0_4_1 = zetb*( &
46343 +c3*e_0_4_0&
46344 +2*e_1_4_0 &
46345 )
46346 e_1_4_1 = zetb*( c1*e_0_4_0 &
46347 +c3*e_1_4_0&
46348 +4*e_2_4_0 &
46349 )
46350 e_2_4_1 = zetb*( c1*e_1_4_0 &
46351 +c3*e_2_4_0&
46352 +6*e_3_4_0 &
46353 )
46354 e_3_4_1 = zetb*( c1*e_2_4_0 &
46355 +c3*e_3_4_0&
46356 +8*e_4_4_0 &
46357 )
46358 e_4_4_1 = zetb*( c1*e_3_4_0 &
46359 +c3*e_4_4_0&
46360
46361 )
46362 e_5_4_1 = zetb*( c1*e_4_4_0 &
46363
46364
46365 )
46366 e_0_1_1 = zeta*( &
46367 +c2*e_0_0_1&
46368 +2*e_1_0_1 &
46369 )
46370 e_0_0_2 = zetb*( &
46371 +c3*e_0_0_1&
46372 +2*e_1_0_1 &
46373 -2*e_0_0_0)
46374 e_1_1_1 = zeta*( c1*e_0_0_1 &
46375 +c2*e_1_0_1&
46376
46377 )
46378 e_1_0_2 = zetb*( c1*e_0_0_1 &
46379 +c3*e_1_0_1&
46380
46381 )
46382 e_2_1_1 = zeta*( c1*e_1_0_1 &
46383
46384
46385 )
46386 e_2_0_2 = zetb*( c1*e_1_0_1 &
46387
46388
46389 )
46390 e_0_2_1 = zeta*( &
46391 +c2*e_0_1_1&
46392 +2*e_1_1_1 &
46393 -2*e_0_0_1)
46394 e_0_1_2 = zetb*( &
46395 +c3*e_0_1_1&
46396 +2*e_1_1_1 &
46397 -2*e_0_1_0)
46398 e_1_2_1 = zeta*( c1*e_0_1_1 &
46399 +c2*e_1_1_1&
46400 +4*e_2_1_1 &
46401 -2*e_1_0_1)
46402 e_1_1_2 = zetb*( c1*e_0_1_1 &
46403 +c3*e_1_1_1&
46404 +4*e_2_1_1 &
46405 -2*e_1_1_0)
46406 e_2_2_1 = zeta*( c1*e_1_1_1 &
46407 +c2*e_2_1_1&
46408
46409 )
46410 e_2_1_2 = zetb*( c1*e_1_1_1 &
46411 +c3*e_2_1_1&
46412
46413 )
46414 e_3_2_1 = zeta*( c1*e_2_1_1 &
46415
46416
46417 )
46418 e_3_1_2 = zetb*( c1*e_2_1_1 &
46419
46420
46421 )
46422 e_0_3_1 = zeta*( &
46423 +c2*e_0_2_1&
46424 +2*e_1_2_1 &
46425 -4*e_0_1_1)
46426 e_0_2_2 = zetb*( &
46427 +c3*e_0_2_1&
46428 +2*e_1_2_1 &
46429 -2*e_0_2_0)
46430 e_1_3_1 = zeta*( c1*e_0_2_1 &
46431 +c2*e_1_2_1&
46432 +4*e_2_2_1 &
46433 -4*e_1_1_1)
46434 e_1_2_2 = zetb*( c1*e_0_2_1 &
46435 +c3*e_1_2_1&
46436 +4*e_2_2_1 &
46437 -2*e_1_2_0)
46438 e_2_3_1 = zeta*( c1*e_1_2_1 &
46439 +c2*e_2_2_1&
46440 +6*e_3_2_1 &
46441 -4*e_2_1_1)
46442 e_2_2_2 = zetb*( c1*e_1_2_1 &
46443 +c3*e_2_2_1&
46444 +6*e_3_2_1 &
46445 -2*e_2_2_0)
46446 e_3_3_1 = zeta*( c1*e_2_2_1 &
46447 +c2*e_3_2_1&
46448
46449 )
46450 e_3_2_2 = zetb*( c1*e_2_2_1 &
46451 +c3*e_3_2_1&
46452
46453 )
46454 e_4_3_1 = zeta*( c1*e_3_2_1 &
46455
46456
46457 )
46458 e_4_2_2 = zetb*( c1*e_3_2_1 &
46459
46460
46461 )
46462 e_0_4_1 = zeta*( &
46463 +c2*e_0_3_1&
46464 +2*e_1_3_1 &
46465 -6*e_0_2_1)
46466 e_0_3_2 = zetb*( &
46467 +c3*e_0_3_1&
46468 +2*e_1_3_1 &
46469 -2*e_0_3_0)
46470 e_1_4_1 = zeta*( c1*e_0_3_1 &
46471 +c2*e_1_3_1&
46472 +4*e_2_3_1 &
46473 -6*e_1_2_1)
46474 e_1_3_2 = zetb*( c1*e_0_3_1 &
46475 +c3*e_1_3_1&
46476 +4*e_2_3_1 &
46477 -2*e_1_3_0)
46478 e_2_4_1 = zeta*( c1*e_1_3_1 &
46479 +c2*e_2_3_1&
46480 +6*e_3_3_1 &
46481 -6*e_2_2_1)
46482 e_2_3_2 = zetb*( c1*e_1_3_1 &
46483 +c3*e_2_3_1&
46484 +6*e_3_3_1 &
46485 -2*e_2_3_0)
46486 e_3_4_1 = zeta*( c1*e_2_3_1 &
46487 +c2*e_3_3_1&
46488 +8*e_4_3_1 &
46489 -6*e_3_2_1)
46490 e_3_3_2 = zetb*( c1*e_2_3_1 &
46491 +c3*e_3_3_1&
46492 +8*e_4_3_1 &
46493 -2*e_3_3_0)
46494 e_4_4_1 = zeta*( c1*e_3_3_1 &
46495 +c2*e_4_3_1&
46496
46497 )
46498 e_4_3_2 = zetb*( c1*e_3_3_1 &
46499 +c3*e_4_3_1&
46500
46501 )
46502 e_5_4_1 = zeta*( c1*e_4_3_1 &
46503
46504
46505 )
46506 e_5_3_2 = zetb*( c1*e_4_3_1 &
46507
46508
46509 )
46510 e_0_4_2 = zetb*( &
46511 +c3*e_0_4_1&
46512 +2*e_1_4_1 &
46513 -2*e_0_4_0)
46514 e_1_4_2 = zetb*( c1*e_0_4_1 &
46515 +c3*e_1_4_1&
46516 +4*e_2_4_1 &
46517 -2*e_1_4_0)
46518 e_2_4_2 = zetb*( c1*e_1_4_1 &
46519 +c3*e_2_4_1&
46520 +6*e_3_4_1 &
46521 -2*e_2_4_0)
46522 e_3_4_2 = zetb*( c1*e_2_4_1 &
46523 +c3*e_3_4_1&
46524 +8*e_4_4_1 &
46525 -2*e_3_4_0)
46526 e_4_4_2 = zetb*( c1*e_3_4_1 &
46527 +c3*e_4_4_1&
46528 +10*e_5_4_1 &
46529 -2*e_4_4_0)
46530 e_5_4_2 = zetb*( c1*e_4_4_1 &
46531 +c3*e_5_4_1&
46532
46533 )
46534 e_6_4_2 = zetb*( c1*e_5_4_1 &
46535
46536
46537 )
46538 e_0_1_2 = zeta*( &
46539 +c2*e_0_0_2&
46540 +2*e_1_0_2 &
46541 )
46542 e_1_1_2 = zeta*( c1*e_0_0_2 &
46543 +c2*e_1_0_2&
46544 +4*e_2_0_2 &
46545 )
46546 e_2_1_2 = zeta*( c1*e_1_0_2 &
46547 +c2*e_2_0_2&
46548
46549 )
46550 e_3_1_2 = zeta*( c1*e_2_0_2 &
46551
46552
46553 )
46554 e_0_2_2 = zeta*( &
46555 +c2*e_0_1_2&
46556 +2*e_1_1_2 &
46557 -2*e_0_0_2)
46558 e_1_2_2 = zeta*( c1*e_0_1_2 &
46559 +c2*e_1_1_2&
46560 +4*e_2_1_2 &
46561 -2*e_1_0_2)
46562 e_2_2_2 = zeta*( c1*e_1_1_2 &
46563 +c2*e_2_1_2&
46564 +6*e_3_1_2 &
46565 -2*e_2_0_2)
46566 e_3_2_2 = zeta*( c1*e_2_1_2 &
46567 +c2*e_3_1_2&
46568
46569 )
46570 e_4_2_2 = zeta*( c1*e_3_1_2 &
46571
46572
46573 )
46574 e_0_3_2 = zeta*( &
46575 +c2*e_0_2_2&
46576 +2*e_1_2_2 &
46577 -4*e_0_1_2)
46578 e_1_3_2 = zeta*( c1*e_0_2_2 &
46579 +c2*e_1_2_2&
46580 +4*e_2_2_2 &
46581 -4*e_1_1_2)
46582 e_2_3_2 = zeta*( c1*e_1_2_2 &
46583 +c2*e_2_2_2&
46584 +6*e_3_2_2 &
46585 -4*e_2_1_2)
46586 e_3_3_2 = zeta*( c1*e_2_2_2 &
46587 +c2*e_3_2_2&
46588 +8*e_4_2_2 &
46589 -4*e_3_1_2)
46590 e_4_3_2 = zeta*( c1*e_3_2_2 &
46591 +c2*e_4_2_2&
46592
46593 )
46594 e_5_3_2 = zeta*( c1*e_4_2_2 &
46595
46596
46597 )
46598 e_0_4_2 = zeta*( &
46599 +c2*e_0_3_2&
46600 +2*e_1_3_2 &
46601 -6*e_0_2_2)
46602 e_1_4_2 = zeta*( c1*e_0_3_2 &
46603 +c2*e_1_3_2&
46604 +4*e_2_3_2 &
46605 -6*e_1_2_2)
46606 e_2_4_2 = zeta*( c1*e_1_3_2 &
46607 +c2*e_2_3_2&
46608 +6*e_3_3_2 &
46609 -6*e_2_2_2)
46610 e_3_4_2 = zeta*( c1*e_2_3_2 &
46611 +c2*e_3_3_2&
46612 +8*e_4_3_2 &
46613 -6*e_3_2_2)
46614 e_4_4_2 = zeta*( c1*e_3_3_2 &
46615 +c2*e_4_3_2&
46616 +10*e_5_3_2 &
46617 -6*e_4_2_2)
46618 e_5_4_2 = zeta*( c1*e_4_3_2 &
46619 +c2*e_5_3_2&
46620
46621 )
46622 e_6_4_2 = zeta*( c1*e_5_3_2 &
46623
46624
46625 )
46626
46627 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
46628 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
46629 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
46630 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
46631 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
46632 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
46633 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
46634 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
46635 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
46636 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
46637 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
46638 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
46639 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
46640 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
46641 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
46642 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
46643 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
46644 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
46645 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
46646 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
46647 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
46648 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
46649 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
46650 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
46651 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
46652 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
46653 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
46654 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
46655 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
46656 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
46657 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
46658 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
46659 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
46660 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
46661 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
46662 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
46663 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
46664 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
46665 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
46666 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
46667 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
46668 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
46669 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
46670 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
46671 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
46672 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
46673 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
46674 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
46675 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
46676 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
46677 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
46678 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
46679 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
46680 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
46681 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
46682 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
46683 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46684 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46685 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46686 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46687 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
46688 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
46689 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
46690 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
46691 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
46692 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
46693 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
46694 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
46695 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
46696 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
46697 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
46698 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
46699 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
46700 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
46701 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
46702 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
46703 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
46704 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
46705 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
46706 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
46707 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
46708 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
46709 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
46710 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
46711 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
46712 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
46713 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
46714 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
46715 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
46716 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
46717 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
46718 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
46719 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
46720 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
46721 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
46722 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
46723 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
46724 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
46725 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
46726 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
46727 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
46728 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
46729 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
46730 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
46731 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
46732 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
46733 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
46734 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
46735 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
46736 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
46737 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
46738 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
46739 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
46740 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
46741 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
46742 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
46743 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
46744 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
46745 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
46746 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
46747 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
46748 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
46749 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
46750 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
46751 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
46752 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
46753 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
46754 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
46755 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
46756 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
46757 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
46758 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
46759 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
46760 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
46761 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
46762 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
46763 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
46764 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
46765 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
46766 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
46767 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
46768 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
46769 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
46770 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
46771 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
46772 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
46773 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
46774 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
46775 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
46776 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
46777 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
46778 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
46779 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
46780 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
46781 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
46782 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
46783 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
46784 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
46785 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
46786 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
46787 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
46788 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
46789 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
46790 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
46791 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
46792 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
46793 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
46794 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
46795 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
46796 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
46797 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
46798 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
46799 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
46800 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
46801 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46802 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46803 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46804 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46805 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
46806 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
46807 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
46808 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
46809 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
46810 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
46811 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
46812 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
46813 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
46814 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
46815 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
46816 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
46817 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
46818 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
46819 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
46820 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
46821 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
46822 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
46823 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
46824 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
46825 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
46826 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
46827 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
46828 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
46829 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
46830 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
46831 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
46832 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
46833 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
46834 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
46835 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
46836 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
46837 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
46838 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
46839 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
46840 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
46841 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
46842 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
46843 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
46844 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
46845 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
46846 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
46847 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
46848 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
46849 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
46850 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
46851 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
46852 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
46853 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
46854 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
46855 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
46856 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
46857 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
46858 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
46859 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
46860 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
46861 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
46862 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
46863 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
46864 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
46865 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
46866 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
46867 r1 = r1 + dr
46868 END DO
46869
46870 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
46871 END SUBROUTINE
46872 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_4_exp_0 ( &
46873 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
46874 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
46875 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
46876 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
46877 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
46878 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
46879 r_pow_t, r_tmp, rr1_delta, rr2_delta
46880
46881 REAL(kind=dp) :: c1, c2, c3
46882 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
46883 & s_r_t_10
46884 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
46885 & s_r_t2_9, s_r_t2_10
46886 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
46887 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
46888 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
46889 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
46890 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
46891 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
46892 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
46893 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
46894 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
46895 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
46896 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
46897 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
46898
46899
46900 dr = lgth
46901 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
46902
46903 s_r(:, :, :) = 0.0_dp
46904
46905 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
46906
46907 h_to_c_0_0 = sqrt(alpha/pi)
46908
46909 h_to_c_0_1 = 0.0_dp
46910 h_to_c_1_1 = +2*alpha*h_to_c_0_0
46911 h_to_c_0_2 = -1*h_to_c_1_1
46912 h_to_c_1_2 = +2*alpha*h_to_c_0_1
46913 h_to_c_2_2 = +2*alpha*h_to_c_1_1
46914 h_to_c_0_3 = -1*h_to_c_1_2
46915 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
46916 h_to_c_2_3 = +2*alpha*h_to_c_1_2
46917 h_to_c_3_3 = +2*alpha*h_to_c_2_2
46918 h_to_c_0_4 = -1*h_to_c_1_3
46919 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
46920 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
46921 h_to_c_3_4 = +2*alpha*h_to_c_2_3
46922 h_to_c_4_4 = +2*alpha*h_to_c_3_3
46923 h_to_c_0_5 = -1*h_to_c_1_4
46924 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
46925 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
46926 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
46927 h_to_c_4_5 = +2*alpha*h_to_c_3_4
46928 h_to_c_5_5 = +2*alpha*h_to_c_4_4
46929 h_to_c_0_6 = -1*h_to_c_1_5
46930 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
46931 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
46932 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
46933 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
46934 h_to_c_5_6 = +2*alpha*h_to_c_4_5
46935 h_to_c_6_6 = +2*alpha*h_to_c_5_5
46936 h_to_c_0_7 = -1*h_to_c_1_6
46937 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
46938 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
46939 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
46940 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
46941 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
46942 h_to_c_6_7 = +2*alpha*h_to_c_5_6
46943 h_to_c_7_7 = +2*alpha*h_to_c_6_6
46944 h_to_c_0_8 = -1*h_to_c_1_7
46945 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
46946 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
46947 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
46948 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
46949 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
46950 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
46951 h_to_c_7_8 = +2*alpha*h_to_c_6_7
46952 h_to_c_8_8 = +2*alpha*h_to_c_7_7
46953 h_to_c_0_9 = -1*h_to_c_1_8
46954 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
46955 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
46956 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
46957 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
46958 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
46959 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
46960 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
46961 h_to_c_8_9 = +2*alpha*h_to_c_7_8
46962 h_to_c_9_9 = +2*alpha*h_to_c_8_8
46963 h_to_c_0_10 = -1*h_to_c_1_9
46964 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
46965 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
46966 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
46967 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
46968 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
46969 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
46970 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
46971 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
46972 h_to_c_9_10 = +2*alpha*h_to_c_8_9
46973 h_to_c_10_10 = +2*alpha*h_to_c_9_9
46974
46975
46976 rr1_delta = (ra - rb)/dr
46977
46978 rr1_l = ceiling(-r_c(1) + rr1_delta)
46979 rr1_r = floor(r_c(1) + rr1_delta)
46980
46981 r1 = rr1_l*dr
46982
46983 alpha_e = zeta*zetb/(zeta + zetb)
46984
46985 DO rr1 = rr1_l, rr1_r
46986 s_r_t_0 = 0.0_dp
46987 s_r_t2_0 = 0.0_dp
46988 s_r_t_1 = 0.0_dp
46989 s_r_t2_1 = 0.0_dp
46990 s_r_t_2 = 0.0_dp
46991 s_r_t2_2 = 0.0_dp
46992 s_r_t_3 = 0.0_dp
46993 s_r_t2_3 = 0.0_dp
46994 s_r_t_4 = 0.0_dp
46995 s_r_t2_4 = 0.0_dp
46996 s_r_t_5 = 0.0_dp
46997 s_r_t2_5 = 0.0_dp
46998 s_r_t_6 = 0.0_dp
46999 s_r_t2_6 = 0.0_dp
47000 s_r_t_7 = 0.0_dp
47001 s_r_t2_7 = 0.0_dp
47002 s_r_t_8 = 0.0_dp
47003 s_r_t2_8 = 0.0_dp
47004 s_r_t_9 = 0.0_dp
47005 s_r_t2_9 = 0.0_dp
47006 s_r_t_10 = 0.0_dp
47007 s_r_t2_10 = 0.0_dp
47008 r_tmp = r_offset + r1*zeta/(zeta + zetb)
47009 rr2_delta = -r_tmp/dr
47010
47011 rr2_l = ceiling(-r_c(2) + rr2_delta)
47012 rr2_r = floor(r_c(2) + rr2_delta)
47013
47014 r = r_tmp + (rr2_l)*dr
47015
47016
47017 DO rr2 = rr2_l, rr2_r
47018 r_pow_t = 1.0_dp
47019 exp2_rsq = exp(-alpha*r*r)
47020 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
47021 r_pow_t = r_pow_t*r
47022 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
47023 r_pow_t = r_pow_t*r
47024 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
47025 r_pow_t = r_pow_t*r
47026 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
47027 r_pow_t = r_pow_t*r
47028 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
47029 r_pow_t = r_pow_t*r
47030 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
47031 r_pow_t = r_pow_t*r
47032 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
47033 r_pow_t = r_pow_t*r
47034 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
47035 r_pow_t = r_pow_t*r
47036 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
47037 r_pow_t = r_pow_t*r
47038 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
47039 r_pow_t = r_pow_t*r
47040 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
47041
47042 r = r + dr
47043 END DO
47044
47045 ! C --> H
47046 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
47047 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
47048 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
47049 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
47050 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
47051 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
47052 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
47053 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
47054 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
47055 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
47056 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
47057 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
47058 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
47059 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
47060 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
47061 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
47062 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
47063 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
47064 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
47065 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
47066 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
47067 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
47068 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
47069 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
47070 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
47071 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
47072 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
47073 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
47074 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
47075 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
47076 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
47077 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
47078 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
47079 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
47080 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
47081 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
47082 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
47083 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
47084 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
47085 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
47086 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
47087 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
47088 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
47089 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
47090 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
47091 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
47092 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
47093 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
47094 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
47095 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
47096 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
47097 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
47098 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
47099 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
47100 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
47101 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
47102 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
47103 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
47104 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
47105 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
47106 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
47107 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
47108 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
47109 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
47110 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
47111 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
47112
47113 ! H --> HH
47114 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
47115
47116 c1 = 1.0_dp/(zeta + zetb)
47117 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
47118 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
47119
47120 e_0_1_0 = zeta*( &
47121 +c2*e_0_0_0&
47122
47123 )
47124 e_0_0_1 = zetb*( &
47125 +c3*e_0_0_0&
47126
47127 )
47128 e_1_1_0 = zeta*( c1*e_0_0_0 &
47129
47130
47131 )
47132 e_1_0_1 = zetb*( c1*e_0_0_0 &
47133
47134
47135 )
47136 e_0_2_0 = zeta*( &
47137 +c2*e_0_1_0&
47138 +2*e_1_1_0 &
47139 -2*e_0_0_0)
47140 e_0_1_1 = zetb*( &
47141 +c3*e_0_1_0&
47142 +2*e_1_1_0 &
47143 )
47144 e_1_2_0 = zeta*( c1*e_0_1_0 &
47145 +c2*e_1_1_0&
47146
47147 )
47148 e_1_1_1 = zetb*( c1*e_0_1_0 &
47149 +c3*e_1_1_0&
47150
47151 )
47152 e_2_2_0 = zeta*( c1*e_1_1_0 &
47153
47154
47155 )
47156 e_2_1_1 = zetb*( c1*e_1_1_0 &
47157
47158
47159 )
47160 e_0_3_0 = zeta*( &
47161 +c2*e_0_2_0&
47162 +2*e_1_2_0 &
47163 -4*e_0_1_0)
47164 e_0_2_1 = zetb*( &
47165 +c3*e_0_2_0&
47166 +2*e_1_2_0 &
47167 )
47168 e_1_3_0 = zeta*( c1*e_0_2_0 &
47169 +c2*e_1_2_0&
47170 +4*e_2_2_0 &
47171 -4*e_1_1_0)
47172 e_1_2_1 = zetb*( c1*e_0_2_0 &
47173 +c3*e_1_2_0&
47174 +4*e_2_2_0 &
47175 )
47176 e_2_3_0 = zeta*( c1*e_1_2_0 &
47177 +c2*e_2_2_0&
47178
47179 )
47180 e_2_2_1 = zetb*( c1*e_1_2_0 &
47181 +c3*e_2_2_0&
47182
47183 )
47184 e_3_3_0 = zeta*( c1*e_2_2_0 &
47185
47186
47187 )
47188 e_3_2_1 = zetb*( c1*e_2_2_0 &
47189
47190
47191 )
47192 e_0_4_0 = zeta*( &
47193 +c2*e_0_3_0&
47194 +2*e_1_3_0 &
47195 -6*e_0_2_0)
47196 e_0_3_1 = zetb*( &
47197 +c3*e_0_3_0&
47198 +2*e_1_3_0 &
47199 )
47200 e_1_4_0 = zeta*( c1*e_0_3_0 &
47201 +c2*e_1_3_0&
47202 +4*e_2_3_0 &
47203 -6*e_1_2_0)
47204 e_1_3_1 = zetb*( c1*e_0_3_0 &
47205 +c3*e_1_3_0&
47206 +4*e_2_3_0 &
47207 )
47208 e_2_4_0 = zeta*( c1*e_1_3_0 &
47209 +c2*e_2_3_0&
47210 +6*e_3_3_0 &
47211 -6*e_2_2_0)
47212 e_2_3_1 = zetb*( c1*e_1_3_0 &
47213 +c3*e_2_3_0&
47214 +6*e_3_3_0 &
47215 )
47216 e_3_4_0 = zeta*( c1*e_2_3_0 &
47217 +c2*e_3_3_0&
47218
47219 )
47220 e_3_3_1 = zetb*( c1*e_2_3_0 &
47221 +c3*e_3_3_0&
47222
47223 )
47224 e_4_4_0 = zeta*( c1*e_3_3_0 &
47225
47226
47227 )
47228 e_4_3_1 = zetb*( c1*e_3_3_0 &
47229
47230
47231 )
47232 e_0_4_1 = zetb*( &
47233 +c3*e_0_4_0&
47234 +2*e_1_4_0 &
47235 )
47236 e_1_4_1 = zetb*( c1*e_0_4_0 &
47237 +c3*e_1_4_0&
47238 +4*e_2_4_0 &
47239 )
47240 e_2_4_1 = zetb*( c1*e_1_4_0 &
47241 +c3*e_2_4_0&
47242 +6*e_3_4_0 &
47243 )
47244 e_3_4_1 = zetb*( c1*e_2_4_0 &
47245 +c3*e_3_4_0&
47246 +8*e_4_4_0 &
47247 )
47248 e_4_4_1 = zetb*( c1*e_3_4_0 &
47249 +c3*e_4_4_0&
47250
47251 )
47252 e_5_4_1 = zetb*( c1*e_4_4_0 &
47253
47254
47255 )
47256 e_0_1_1 = zeta*( &
47257 +c2*e_0_0_1&
47258 +2*e_1_0_1 &
47259 )
47260 e_0_0_2 = zetb*( &
47261 +c3*e_0_0_1&
47262 +2*e_1_0_1 &
47263 -2*e_0_0_0)
47264 e_1_1_1 = zeta*( c1*e_0_0_1 &
47265 +c2*e_1_0_1&
47266
47267 )
47268 e_1_0_2 = zetb*( c1*e_0_0_1 &
47269 +c3*e_1_0_1&
47270
47271 )
47272 e_2_1_1 = zeta*( c1*e_1_0_1 &
47273
47274
47275 )
47276 e_2_0_2 = zetb*( c1*e_1_0_1 &
47277
47278
47279 )
47280 e_0_2_1 = zeta*( &
47281 +c2*e_0_1_1&
47282 +2*e_1_1_1 &
47283 -2*e_0_0_1)
47284 e_0_1_2 = zetb*( &
47285 +c3*e_0_1_1&
47286 +2*e_1_1_1 &
47287 -2*e_0_1_0)
47288 e_1_2_1 = zeta*( c1*e_0_1_1 &
47289 +c2*e_1_1_1&
47290 +4*e_2_1_1 &
47291 -2*e_1_0_1)
47292 e_1_1_2 = zetb*( c1*e_0_1_1 &
47293 +c3*e_1_1_1&
47294 +4*e_2_1_1 &
47295 -2*e_1_1_0)
47296 e_2_2_1 = zeta*( c1*e_1_1_1 &
47297 +c2*e_2_1_1&
47298
47299 )
47300 e_2_1_2 = zetb*( c1*e_1_1_1 &
47301 +c3*e_2_1_1&
47302
47303 )
47304 e_3_2_1 = zeta*( c1*e_2_1_1 &
47305
47306
47307 )
47308 e_3_1_2 = zetb*( c1*e_2_1_1 &
47309
47310
47311 )
47312 e_0_3_1 = zeta*( &
47313 +c2*e_0_2_1&
47314 +2*e_1_2_1 &
47315 -4*e_0_1_1)
47316 e_0_2_2 = zetb*( &
47317 +c3*e_0_2_1&
47318 +2*e_1_2_1 &
47319 -2*e_0_2_0)
47320 e_1_3_1 = zeta*( c1*e_0_2_1 &
47321 +c2*e_1_2_1&
47322 +4*e_2_2_1 &
47323 -4*e_1_1_1)
47324 e_1_2_2 = zetb*( c1*e_0_2_1 &
47325 +c3*e_1_2_1&
47326 +4*e_2_2_1 &
47327 -2*e_1_2_0)
47328 e_2_3_1 = zeta*( c1*e_1_2_1 &
47329 +c2*e_2_2_1&
47330 +6*e_3_2_1 &
47331 -4*e_2_1_1)
47332 e_2_2_2 = zetb*( c1*e_1_2_1 &
47333 +c3*e_2_2_1&
47334 +6*e_3_2_1 &
47335 -2*e_2_2_0)
47336 e_3_3_1 = zeta*( c1*e_2_2_1 &
47337 +c2*e_3_2_1&
47338
47339 )
47340 e_3_2_2 = zetb*( c1*e_2_2_1 &
47341 +c3*e_3_2_1&
47342
47343 )
47344 e_4_3_1 = zeta*( c1*e_3_2_1 &
47345
47346
47347 )
47348 e_4_2_2 = zetb*( c1*e_3_2_1 &
47349
47350
47351 )
47352 e_0_4_1 = zeta*( &
47353 +c2*e_0_3_1&
47354 +2*e_1_3_1 &
47355 -6*e_0_2_1)
47356 e_0_3_2 = zetb*( &
47357 +c3*e_0_3_1&
47358 +2*e_1_3_1 &
47359 -2*e_0_3_0)
47360 e_1_4_1 = zeta*( c1*e_0_3_1 &
47361 +c2*e_1_3_1&
47362 +4*e_2_3_1 &
47363 -6*e_1_2_1)
47364 e_1_3_2 = zetb*( c1*e_0_3_1 &
47365 +c3*e_1_3_1&
47366 +4*e_2_3_1 &
47367 -2*e_1_3_0)
47368 e_2_4_1 = zeta*( c1*e_1_3_1 &
47369 +c2*e_2_3_1&
47370 +6*e_3_3_1 &
47371 -6*e_2_2_1)
47372 e_2_3_2 = zetb*( c1*e_1_3_1 &
47373 +c3*e_2_3_1&
47374 +6*e_3_3_1 &
47375 -2*e_2_3_0)
47376 e_3_4_1 = zeta*( c1*e_2_3_1 &
47377 +c2*e_3_3_1&
47378 +8*e_4_3_1 &
47379 -6*e_3_2_1)
47380 e_3_3_2 = zetb*( c1*e_2_3_1 &
47381 +c3*e_3_3_1&
47382 +8*e_4_3_1 &
47383 -2*e_3_3_0)
47384 e_4_4_1 = zeta*( c1*e_3_3_1 &
47385 +c2*e_4_3_1&
47386
47387 )
47388 e_4_3_2 = zetb*( c1*e_3_3_1 &
47389 +c3*e_4_3_1&
47390
47391 )
47392 e_5_4_1 = zeta*( c1*e_4_3_1 &
47393
47394
47395 )
47396 e_5_3_2 = zetb*( c1*e_4_3_1 &
47397
47398
47399 )
47400 e_0_4_2 = zetb*( &
47401 +c3*e_0_4_1&
47402 +2*e_1_4_1 &
47403 -2*e_0_4_0)
47404 e_1_4_2 = zetb*( c1*e_0_4_1 &
47405 +c3*e_1_4_1&
47406 +4*e_2_4_1 &
47407 -2*e_1_4_0)
47408 e_2_4_2 = zetb*( c1*e_1_4_1 &
47409 +c3*e_2_4_1&
47410 +6*e_3_4_1 &
47411 -2*e_2_4_0)
47412 e_3_4_2 = zetb*( c1*e_2_4_1 &
47413 +c3*e_3_4_1&
47414 +8*e_4_4_1 &
47415 -2*e_3_4_0)
47416 e_4_4_2 = zetb*( c1*e_3_4_1 &
47417 +c3*e_4_4_1&
47418 +10*e_5_4_1 &
47419 -2*e_4_4_0)
47420 e_5_4_2 = zetb*( c1*e_4_4_1 &
47421 +c3*e_5_4_1&
47422
47423 )
47424 e_6_4_2 = zetb*( c1*e_5_4_1 &
47425
47426
47427 )
47428 e_0_1_2 = zeta*( &
47429 +c2*e_0_0_2&
47430 +2*e_1_0_2 &
47431 )
47432 e_1_1_2 = zeta*( c1*e_0_0_2 &
47433 +c2*e_1_0_2&
47434 +4*e_2_0_2 &
47435 )
47436 e_2_1_2 = zeta*( c1*e_1_0_2 &
47437 +c2*e_2_0_2&
47438
47439 )
47440 e_3_1_2 = zeta*( c1*e_2_0_2 &
47441
47442
47443 )
47444 e_0_2_2 = zeta*( &
47445 +c2*e_0_1_2&
47446 +2*e_1_1_2 &
47447 -2*e_0_0_2)
47448 e_1_2_2 = zeta*( c1*e_0_1_2 &
47449 +c2*e_1_1_2&
47450 +4*e_2_1_2 &
47451 -2*e_1_0_2)
47452 e_2_2_2 = zeta*( c1*e_1_1_2 &
47453 +c2*e_2_1_2&
47454 +6*e_3_1_2 &
47455 -2*e_2_0_2)
47456 e_3_2_2 = zeta*( c1*e_2_1_2 &
47457 +c2*e_3_1_2&
47458
47459 )
47460 e_4_2_2 = zeta*( c1*e_3_1_2 &
47461
47462
47463 )
47464 e_0_3_2 = zeta*( &
47465 +c2*e_0_2_2&
47466 +2*e_1_2_2 &
47467 -4*e_0_1_2)
47468 e_1_3_2 = zeta*( c1*e_0_2_2 &
47469 +c2*e_1_2_2&
47470 +4*e_2_2_2 &
47471 -4*e_1_1_2)
47472 e_2_3_2 = zeta*( c1*e_1_2_2 &
47473 +c2*e_2_2_2&
47474 +6*e_3_2_2 &
47475 -4*e_2_1_2)
47476 e_3_3_2 = zeta*( c1*e_2_2_2 &
47477 +c2*e_3_2_2&
47478 +8*e_4_2_2 &
47479 -4*e_3_1_2)
47480 e_4_3_2 = zeta*( c1*e_3_2_2 &
47481 +c2*e_4_2_2&
47482
47483 )
47484 e_5_3_2 = zeta*( c1*e_4_2_2 &
47485
47486
47487 )
47488 e_0_4_2 = zeta*( &
47489 +c2*e_0_3_2&
47490 +2*e_1_3_2 &
47491 -6*e_0_2_2)
47492 e_1_4_2 = zeta*( c1*e_0_3_2 &
47493 +c2*e_1_3_2&
47494 +4*e_2_3_2 &
47495 -6*e_1_2_2)
47496 e_2_4_2 = zeta*( c1*e_1_3_2 &
47497 +c2*e_2_3_2&
47498 +6*e_3_3_2 &
47499 -6*e_2_2_2)
47500 e_3_4_2 = zeta*( c1*e_2_3_2 &
47501 +c2*e_3_3_2&
47502 +8*e_4_3_2 &
47503 -6*e_3_2_2)
47504 e_4_4_2 = zeta*( c1*e_3_3_2 &
47505 +c2*e_4_3_2&
47506 +10*e_5_3_2 &
47507 -6*e_4_2_2)
47508 e_5_4_2 = zeta*( c1*e_4_3_2 &
47509 +c2*e_5_3_2&
47510
47511 )
47512 e_6_4_2 = zeta*( c1*e_5_3_2 &
47513
47514
47515 )
47516
47517 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
47518 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
47519 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
47520 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
47521 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
47522 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
47523 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
47524 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
47525 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
47526 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
47527 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
47528 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
47529 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
47530 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
47531 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47532 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
47533 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
47534 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
47535 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
47536 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
47537 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
47538 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
47539 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
47540 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
47541 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
47542 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
47543 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
47544 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
47545 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47546 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
47547 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
47548 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
47549 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
47550 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47551 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47552 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
47553 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
47554 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
47555 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
47556 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
47557 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
47558 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
47559 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
47560 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
47561 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
47562 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
47563 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47564 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
47565 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
47566 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
47567 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
47568 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47569 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47570 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
47571 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
47572 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
47573 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
47574 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47575 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47576 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47577 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
47578 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
47579 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
47580 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
47581 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
47582 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
47583 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
47584 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
47585 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
47586 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
47587 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
47588 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
47589 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
47590 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
47591 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
47592 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
47593 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
47594 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
47595 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
47596 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
47597 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
47598 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
47599 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
47600 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
47601 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
47602 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
47603 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
47604 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
47605 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
47606 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
47607 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
47608 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
47609 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
47610 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
47611 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
47612 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
47613 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
47614 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
47615 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
47616 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
47617 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
47618 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
47619 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
47620 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
47621 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
47622 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
47623 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
47624 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
47625 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
47626 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
47627 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
47628 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
47629 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
47630 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
47631 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
47632 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
47633 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
47634 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
47635 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
47636 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
47637 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
47638 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
47639 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
47640 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
47641 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
47642 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
47643 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
47644 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
47645 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
47646 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
47647 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
47648 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
47649 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47650 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
47651 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
47652 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
47653 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
47654 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
47655 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
47656 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
47657 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
47658 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
47659 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
47660 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
47661 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
47662 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
47663 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47664 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
47665 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
47666 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
47667 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
47668 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47669 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47670 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
47671 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
47672 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
47673 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
47674 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
47675 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
47676 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
47677 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
47678 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
47679 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
47680 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
47681 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47682 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
47683 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
47684 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
47685 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
47686 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47687 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47688 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
47689 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
47690 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
47691 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
47692 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47693 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47694 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47695 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
47696 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
47697 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
47698 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
47699 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
47700 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
47701 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
47702 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
47703 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
47704 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
47705 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
47706 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
47707 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
47708 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
47709 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
47710 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
47711 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
47712 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
47713 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
47714 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
47715 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
47716 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
47717 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
47718 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
47719 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
47720 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
47721 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
47722 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
47723 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
47724 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
47725 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
47726 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
47727 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
47728 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
47729 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
47730 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
47731 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
47732 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
47733 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
47734 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
47735 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
47736 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
47737 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
47738 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
47739 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
47740 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
47741 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
47742 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
47743 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
47744 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
47745 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
47746 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
47747 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
47748 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
47749 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
47750 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
47751 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
47752 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
47753 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
47754 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
47755 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
47756 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
47757 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
47758 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
47759 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
47760 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
47761 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
47762 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
47763 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
47764 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
47765 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
47766 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
47767 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47768 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
47769 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
47770 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
47771 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
47772 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
47773 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
47774 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
47775 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
47776 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
47777 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
47778 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
47779 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
47780 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
47781 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47782 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
47783 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
47784 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
47785 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
47786 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47787 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47788 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
47789 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
47790 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
47791 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
47792 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
47793 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
47794 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
47795 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
47796 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
47797 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
47798 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
47799 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47800 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
47801 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
47802 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
47803 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
47804 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47805 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47806 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
47807 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
47808 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
47809 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
47810 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47811 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47812 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47813 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
47814 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
47815 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
47816 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
47817 r1 = r1 + dr
47818 END DO
47819
47820 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
47821 END SUBROUTINE
47822 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_0_exp_0 ( &
47823 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
47824 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
47825 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
47826 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
47827 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
47828 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
47829 r_pow_t, r_tmp, rr1_delta, rr2_delta
47830
47831 REAL(kind=dp) :: c1, c2, c3
47832 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
47833 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
47834 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
47835 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
47836 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
47837 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
47838 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
47839 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
47840 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
47841 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
47842 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
47843 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
47844 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
47845
47846
47847 dr = lgth
47848 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
47849
47850 s_r(:, :, :) = 0.0_dp
47851
47852 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
47853
47854 h_to_c_0_0 = sqrt(alpha/pi)
47855
47856 h_to_c_0_1 = 0.0_dp
47857 h_to_c_1_1 = +2*alpha*h_to_c_0_0
47858 h_to_c_0_2 = -1*h_to_c_1_1
47859 h_to_c_1_2 = +2*alpha*h_to_c_0_1
47860 h_to_c_2_2 = +2*alpha*h_to_c_1_1
47861 h_to_c_0_3 = -1*h_to_c_1_2
47862 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
47863 h_to_c_2_3 = +2*alpha*h_to_c_1_2
47864 h_to_c_3_3 = +2*alpha*h_to_c_2_2
47865 h_to_c_0_4 = -1*h_to_c_1_3
47866 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
47867 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
47868 h_to_c_3_4 = +2*alpha*h_to_c_2_3
47869 h_to_c_4_4 = +2*alpha*h_to_c_3_3
47870 h_to_c_0_5 = -1*h_to_c_1_4
47871 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
47872 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
47873 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
47874 h_to_c_4_5 = +2*alpha*h_to_c_3_4
47875 h_to_c_5_5 = +2*alpha*h_to_c_4_4
47876 h_to_c_0_6 = -1*h_to_c_1_5
47877 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
47878 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
47879 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
47880 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
47881 h_to_c_5_6 = +2*alpha*h_to_c_4_5
47882 h_to_c_6_6 = +2*alpha*h_to_c_5_5
47883 h_to_c_0_7 = -1*h_to_c_1_6
47884 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
47885 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
47886 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
47887 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
47888 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
47889 h_to_c_6_7 = +2*alpha*h_to_c_5_6
47890 h_to_c_7_7 = +2*alpha*h_to_c_6_6
47891
47892
47893 rr1_delta = (ra - rb)/dr
47894
47895 rr1_l = ceiling(-r_c(1) + rr1_delta)
47896 rr1_r = floor(r_c(1) + rr1_delta)
47897
47898 r1 = rr1_l*dr
47899
47900 alpha_e = zeta*zetb/(zeta + zetb)
47901
47902 DO rr1 = rr1_l, rr1_r
47903 s_r_t_0 = 0.0_dp
47904 s_r_t2_0 = 0.0_dp
47905 s_r_t_1 = 0.0_dp
47906 s_r_t2_1 = 0.0_dp
47907 s_r_t_2 = 0.0_dp
47908 s_r_t2_2 = 0.0_dp
47909 s_r_t_3 = 0.0_dp
47910 s_r_t2_3 = 0.0_dp
47911 s_r_t_4 = 0.0_dp
47912 s_r_t2_4 = 0.0_dp
47913 s_r_t_5 = 0.0_dp
47914 s_r_t2_5 = 0.0_dp
47915 s_r_t_6 = 0.0_dp
47916 s_r_t2_6 = 0.0_dp
47917 s_r_t_7 = 0.0_dp
47918 s_r_t2_7 = 0.0_dp
47919 r_tmp = r_offset + r1*zeta/(zeta + zetb)
47920 rr2_delta = -r_tmp/dr
47921
47922 rr2_l = ceiling(-r_c(2) + rr2_delta)
47923 rr2_r = floor(r_c(2) + rr2_delta)
47924
47925 r = r_tmp + (rr2_l)*dr
47926
47927
47928 DO rr2 = rr2_l, rr2_r
47929 r_pow_t = 1.0_dp
47930 exp2_rsq = exp(-alpha*r*r)
47931 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
47932 r_pow_t = r_pow_t*r
47933 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
47934 r_pow_t = r_pow_t*r
47935 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
47936 r_pow_t = r_pow_t*r
47937 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
47938 r_pow_t = r_pow_t*r
47939 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
47940 r_pow_t = r_pow_t*r
47941 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
47942 r_pow_t = r_pow_t*r
47943 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
47944 r_pow_t = r_pow_t*r
47945 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
47946
47947 r = r + dr
47948 END DO
47949
47950 ! C --> H
47951 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
47952 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
47953 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
47954 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
47955 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
47956 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
47957 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
47958 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
47959 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
47960 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
47961 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
47962 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
47963 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
47964 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
47965 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
47966 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
47967 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
47968 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
47969 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
47970 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
47971 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
47972 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
47973 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
47974 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
47975 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
47976 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
47977 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
47978 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
47979 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
47980 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
47981 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
47982 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
47983 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
47984 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
47985 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
47986 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
47987
47988 ! H --> HH
47989 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
47990
47991 c1 = 1.0_dp/(zeta + zetb)
47992 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
47993 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
47994
47995 e_0_1_0 = zeta*( &
47996 +c2*e_0_0_0&
47997
47998 )
47999 e_0_0_1 = zetb*( &
48000 +c3*e_0_0_0&
48001
48002 )
48003 e_1_1_0 = zeta*( c1*e_0_0_0 &
48004
48005
48006 )
48007 e_1_0_1 = zetb*( c1*e_0_0_0 &
48008
48009
48010 )
48011 e_0_2_0 = zeta*( &
48012 +c2*e_0_1_0&
48013 +2*e_1_1_0 &
48014 -2*e_0_0_0)
48015 e_0_1_1 = zetb*( &
48016 +c3*e_0_1_0&
48017 +2*e_1_1_0 &
48018 )
48019 e_1_2_0 = zeta*( c1*e_0_1_0 &
48020 +c2*e_1_1_0&
48021
48022 )
48023 e_1_1_1 = zetb*( c1*e_0_1_0 &
48024 +c3*e_1_1_0&
48025
48026 )
48027 e_2_2_0 = zeta*( c1*e_1_1_0 &
48028
48029
48030 )
48031 e_2_1_1 = zetb*( c1*e_1_1_0 &
48032
48033
48034 )
48035 e_0_3_0 = zeta*( &
48036 +c2*e_0_2_0&
48037 +2*e_1_2_0 &
48038 -4*e_0_1_0)
48039 e_0_2_1 = zetb*( &
48040 +c3*e_0_2_0&
48041 +2*e_1_2_0 &
48042 )
48043 e_1_3_0 = zeta*( c1*e_0_2_0 &
48044 +c2*e_1_2_0&
48045 +4*e_2_2_0 &
48046 -4*e_1_1_0)
48047 e_1_2_1 = zetb*( c1*e_0_2_0 &
48048 +c3*e_1_2_0&
48049 +4*e_2_2_0 &
48050 )
48051 e_2_3_0 = zeta*( c1*e_1_2_0 &
48052 +c2*e_2_2_0&
48053
48054 )
48055 e_2_2_1 = zetb*( c1*e_1_2_0 &
48056 +c3*e_2_2_0&
48057
48058 )
48059 e_3_3_0 = zeta*( c1*e_2_2_0 &
48060
48061
48062 )
48063 e_3_2_1 = zetb*( c1*e_2_2_0 &
48064
48065
48066 )
48067 e_0_4_0 = zeta*( &
48068 +c2*e_0_3_0&
48069 +2*e_1_3_0 &
48070 -6*e_0_2_0)
48071 e_0_3_1 = zetb*( &
48072 +c3*e_0_3_0&
48073 +2*e_1_3_0 &
48074 )
48075 e_1_4_0 = zeta*( c1*e_0_3_0 &
48076 +c2*e_1_3_0&
48077 +4*e_2_3_0 &
48078 -6*e_1_2_0)
48079 e_1_3_1 = zetb*( c1*e_0_3_0 &
48080 +c3*e_1_3_0&
48081 +4*e_2_3_0 &
48082 )
48083 e_2_4_0 = zeta*( c1*e_1_3_0 &
48084 +c2*e_2_3_0&
48085 +6*e_3_3_0 &
48086 -6*e_2_2_0)
48087 e_2_3_1 = zetb*( c1*e_1_3_0 &
48088 +c3*e_2_3_0&
48089 +6*e_3_3_0 &
48090 )
48091 e_3_4_0 = zeta*( c1*e_2_3_0 &
48092 +c2*e_3_3_0&
48093
48094 )
48095 e_3_3_1 = zetb*( c1*e_2_3_0 &
48096 +c3*e_3_3_0&
48097
48098 )
48099 e_4_4_0 = zeta*( c1*e_3_3_0 &
48100
48101
48102 )
48103 e_4_3_1 = zetb*( c1*e_3_3_0 &
48104
48105
48106 )
48107 e_0_4_1 = zetb*( &
48108 +c3*e_0_4_0&
48109 +2*e_1_4_0 &
48110 )
48111 e_1_4_1 = zetb*( c1*e_0_4_0 &
48112 +c3*e_1_4_0&
48113 +4*e_2_4_0 &
48114 )
48115 e_2_4_1 = zetb*( c1*e_1_4_0 &
48116 +c3*e_2_4_0&
48117 +6*e_3_4_0 &
48118 )
48119 e_3_4_1 = zetb*( c1*e_2_4_0 &
48120 +c3*e_3_4_0&
48121 +8*e_4_4_0 &
48122 )
48123 e_4_4_1 = zetb*( c1*e_3_4_0 &
48124 +c3*e_4_4_0&
48125
48126 )
48127 e_5_4_1 = zetb*( c1*e_4_4_0 &
48128
48129
48130 )
48131 e_0_1_1 = zeta*( &
48132 +c2*e_0_0_1&
48133 +2*e_1_0_1 &
48134 )
48135 e_0_0_2 = zetb*( &
48136 +c3*e_0_0_1&
48137 +2*e_1_0_1 &
48138 -2*e_0_0_0)
48139 e_1_1_1 = zeta*( c1*e_0_0_1 &
48140 +c2*e_1_0_1&
48141
48142 )
48143 e_1_0_2 = zetb*( c1*e_0_0_1 &
48144 +c3*e_1_0_1&
48145
48146 )
48147 e_2_1_1 = zeta*( c1*e_1_0_1 &
48148
48149
48150 )
48151 e_2_0_2 = zetb*( c1*e_1_0_1 &
48152
48153
48154 )
48155 e_0_2_1 = zeta*( &
48156 +c2*e_0_1_1&
48157 +2*e_1_1_1 &
48158 -2*e_0_0_1)
48159 e_0_1_2 = zetb*( &
48160 +c3*e_0_1_1&
48161 +2*e_1_1_1 &
48162 -2*e_0_1_0)
48163 e_1_2_1 = zeta*( c1*e_0_1_1 &
48164 +c2*e_1_1_1&
48165 +4*e_2_1_1 &
48166 -2*e_1_0_1)
48167 e_1_1_2 = zetb*( c1*e_0_1_1 &
48168 +c3*e_1_1_1&
48169 +4*e_2_1_1 &
48170 -2*e_1_1_0)
48171 e_2_2_1 = zeta*( c1*e_1_1_1 &
48172 +c2*e_2_1_1&
48173
48174 )
48175 e_2_1_2 = zetb*( c1*e_1_1_1 &
48176 +c3*e_2_1_1&
48177
48178 )
48179 e_3_2_1 = zeta*( c1*e_2_1_1 &
48180
48181
48182 )
48183 e_3_1_2 = zetb*( c1*e_2_1_1 &
48184
48185
48186 )
48187 e_0_3_1 = zeta*( &
48188 +c2*e_0_2_1&
48189 +2*e_1_2_1 &
48190 -4*e_0_1_1)
48191 e_0_2_2 = zetb*( &
48192 +c3*e_0_2_1&
48193 +2*e_1_2_1 &
48194 -2*e_0_2_0)
48195 e_1_3_1 = zeta*( c1*e_0_2_1 &
48196 +c2*e_1_2_1&
48197 +4*e_2_2_1 &
48198 -4*e_1_1_1)
48199 e_1_2_2 = zetb*( c1*e_0_2_1 &
48200 +c3*e_1_2_1&
48201 +4*e_2_2_1 &
48202 -2*e_1_2_0)
48203 e_2_3_1 = zeta*( c1*e_1_2_1 &
48204 +c2*e_2_2_1&
48205 +6*e_3_2_1 &
48206 -4*e_2_1_1)
48207 e_2_2_2 = zetb*( c1*e_1_2_1 &
48208 +c3*e_2_2_1&
48209 +6*e_3_2_1 &
48210 -2*e_2_2_0)
48211 e_3_3_1 = zeta*( c1*e_2_2_1 &
48212 +c2*e_3_2_1&
48213
48214 )
48215 e_3_2_2 = zetb*( c1*e_2_2_1 &
48216 +c3*e_3_2_1&
48217
48218 )
48219 e_4_3_1 = zeta*( c1*e_3_2_1 &
48220
48221
48222 )
48223 e_4_2_2 = zetb*( c1*e_3_2_1 &
48224
48225
48226 )
48227 e_0_4_1 = zeta*( &
48228 +c2*e_0_3_1&
48229 +2*e_1_3_1 &
48230 -6*e_0_2_1)
48231 e_0_3_2 = zetb*( &
48232 +c3*e_0_3_1&
48233 +2*e_1_3_1 &
48234 -2*e_0_3_0)
48235 e_1_4_1 = zeta*( c1*e_0_3_1 &
48236 +c2*e_1_3_1&
48237 +4*e_2_3_1 &
48238 -6*e_1_2_1)
48239 e_1_3_2 = zetb*( c1*e_0_3_1 &
48240 +c3*e_1_3_1&
48241 +4*e_2_3_1 &
48242 -2*e_1_3_0)
48243 e_2_4_1 = zeta*( c1*e_1_3_1 &
48244 +c2*e_2_3_1&
48245 +6*e_3_3_1 &
48246 -6*e_2_2_1)
48247 e_2_3_2 = zetb*( c1*e_1_3_1 &
48248 +c3*e_2_3_1&
48249 +6*e_3_3_1 &
48250 -2*e_2_3_0)
48251 e_3_4_1 = zeta*( c1*e_2_3_1 &
48252 +c2*e_3_3_1&
48253 +8*e_4_3_1 &
48254 -6*e_3_2_1)
48255 e_3_3_2 = zetb*( c1*e_2_3_1 &
48256 +c3*e_3_3_1&
48257 +8*e_4_3_1 &
48258 -2*e_3_3_0)
48259 e_4_4_1 = zeta*( c1*e_3_3_1 &
48260 +c2*e_4_3_1&
48261
48262 )
48263 e_4_3_2 = zetb*( c1*e_3_3_1 &
48264 +c3*e_4_3_1&
48265
48266 )
48267 e_5_4_1 = zeta*( c1*e_4_3_1 &
48268
48269
48270 )
48271 e_5_3_2 = zetb*( c1*e_4_3_1 &
48272
48273
48274 )
48275 e_0_4_2 = zetb*( &
48276 +c3*e_0_4_1&
48277 +2*e_1_4_1 &
48278 -2*e_0_4_0)
48279 e_1_4_2 = zetb*( c1*e_0_4_1 &
48280 +c3*e_1_4_1&
48281 +4*e_2_4_1 &
48282 -2*e_1_4_0)
48283 e_2_4_2 = zetb*( c1*e_1_4_1 &
48284 +c3*e_2_4_1&
48285 +6*e_3_4_1 &
48286 -2*e_2_4_0)
48287 e_3_4_2 = zetb*( c1*e_2_4_1 &
48288 +c3*e_3_4_1&
48289 +8*e_4_4_1 &
48290 -2*e_3_4_0)
48291 e_4_4_2 = zetb*( c1*e_3_4_1 &
48292 +c3*e_4_4_1&
48293 +10*e_5_4_1 &
48294 -2*e_4_4_0)
48295 e_5_4_2 = zetb*( c1*e_4_4_1 &
48296 +c3*e_5_4_1&
48297
48298 )
48299 e_6_4_2 = zetb*( c1*e_5_4_1 &
48300
48301
48302 )
48303 e_0_1_2 = zeta*( &
48304 +c2*e_0_0_2&
48305 +2*e_1_0_2 &
48306 )
48307 e_0_0_3 = zetb*( &
48308 +c3*e_0_0_2&
48309 +2*e_1_0_2 &
48310 -4*e_0_0_1)
48311 e_1_1_2 = zeta*( c1*e_0_0_2 &
48312 +c2*e_1_0_2&
48313 +4*e_2_0_2 &
48314 )
48315 e_1_0_3 = zetb*( c1*e_0_0_2 &
48316 +c3*e_1_0_2&
48317 +4*e_2_0_2 &
48318 -4*e_1_0_1)
48319 e_2_1_2 = zeta*( c1*e_1_0_2 &
48320 +c2*e_2_0_2&
48321
48322 )
48323 e_2_0_3 = zetb*( c1*e_1_0_2 &
48324 +c3*e_2_0_2&
48325
48326 )
48327 e_3_1_2 = zeta*( c1*e_2_0_2 &
48328
48329
48330 )
48331 e_3_0_3 = zetb*( c1*e_2_0_2 &
48332
48333
48334 )
48335 e_0_2_2 = zeta*( &
48336 +c2*e_0_1_2&
48337 +2*e_1_1_2 &
48338 -2*e_0_0_2)
48339 e_0_1_3 = zetb*( &
48340 +c3*e_0_1_2&
48341 +2*e_1_1_2 &
48342 -4*e_0_1_1)
48343 e_1_2_2 = zeta*( c1*e_0_1_2 &
48344 +c2*e_1_1_2&
48345 +4*e_2_1_2 &
48346 -2*e_1_0_2)
48347 e_1_1_3 = zetb*( c1*e_0_1_2 &
48348 +c3*e_1_1_2&
48349 +4*e_2_1_2 &
48350 -4*e_1_1_1)
48351 e_2_2_2 = zeta*( c1*e_1_1_2 &
48352 +c2*e_2_1_2&
48353 +6*e_3_1_2 &
48354 -2*e_2_0_2)
48355 e_2_1_3 = zetb*( c1*e_1_1_2 &
48356 +c3*e_2_1_2&
48357 +6*e_3_1_2 &
48358 -4*e_2_1_1)
48359 e_3_2_2 = zeta*( c1*e_2_1_2 &
48360 +c2*e_3_1_2&
48361
48362 )
48363 e_3_1_3 = zetb*( c1*e_2_1_2 &
48364 +c3*e_3_1_2&
48365
48366 )
48367 e_4_2_2 = zeta*( c1*e_3_1_2 &
48368
48369
48370 )
48371 e_4_1_3 = zetb*( c1*e_3_1_2 &
48372
48373
48374 )
48375 e_0_3_2 = zeta*( &
48376 +c2*e_0_2_2&
48377 +2*e_1_2_2 &
48378 -4*e_0_1_2)
48379 e_0_2_3 = zetb*( &
48380 +c3*e_0_2_2&
48381 +2*e_1_2_2 &
48382 -4*e_0_2_1)
48383 e_1_3_2 = zeta*( c1*e_0_2_2 &
48384 +c2*e_1_2_2&
48385 +4*e_2_2_2 &
48386 -4*e_1_1_2)
48387 e_1_2_3 = zetb*( c1*e_0_2_2 &
48388 +c3*e_1_2_2&
48389 +4*e_2_2_2 &
48390 -4*e_1_2_1)
48391 e_2_3_2 = zeta*( c1*e_1_2_2 &
48392 +c2*e_2_2_2&
48393 +6*e_3_2_2 &
48394 -4*e_2_1_2)
48395 e_2_2_3 = zetb*( c1*e_1_2_2 &
48396 +c3*e_2_2_2&
48397 +6*e_3_2_2 &
48398 -4*e_2_2_1)
48399 e_3_3_2 = zeta*( c1*e_2_2_2 &
48400 +c2*e_3_2_2&
48401 +8*e_4_2_2 &
48402 -4*e_3_1_2)
48403 e_3_2_3 = zetb*( c1*e_2_2_2 &
48404 +c3*e_3_2_2&
48405 +8*e_4_2_2 &
48406 -4*e_3_2_1)
48407 e_4_3_2 = zeta*( c1*e_3_2_2 &
48408 +c2*e_4_2_2&
48409
48410 )
48411 e_4_2_3 = zetb*( c1*e_3_2_2 &
48412 +c3*e_4_2_2&
48413
48414 )
48415 e_5_3_2 = zeta*( c1*e_4_2_2 &
48416
48417
48418 )
48419 e_5_2_3 = zetb*( c1*e_4_2_2 &
48420
48421
48422 )
48423 e_0_4_2 = zeta*( &
48424 +c2*e_0_3_2&
48425 +2*e_1_3_2 &
48426 -6*e_0_2_2)
48427 e_0_3_3 = zetb*( &
48428 +c3*e_0_3_2&
48429 +2*e_1_3_2 &
48430 -4*e_0_3_1)
48431 e_1_4_2 = zeta*( c1*e_0_3_2 &
48432 +c2*e_1_3_2&
48433 +4*e_2_3_2 &
48434 -6*e_1_2_2)
48435 e_1_3_3 = zetb*( c1*e_0_3_2 &
48436 +c3*e_1_3_2&
48437 +4*e_2_3_2 &
48438 -4*e_1_3_1)
48439 e_2_4_2 = zeta*( c1*e_1_3_2 &
48440 +c2*e_2_3_2&
48441 +6*e_3_3_2 &
48442 -6*e_2_2_2)
48443 e_2_3_3 = zetb*( c1*e_1_3_2 &
48444 +c3*e_2_3_2&
48445 +6*e_3_3_2 &
48446 -4*e_2_3_1)
48447 e_3_4_2 = zeta*( c1*e_2_3_2 &
48448 +c2*e_3_3_2&
48449 +8*e_4_3_2 &
48450 -6*e_3_2_2)
48451 e_3_3_3 = zetb*( c1*e_2_3_2 &
48452 +c3*e_3_3_2&
48453 +8*e_4_3_2 &
48454 -4*e_3_3_1)
48455 e_4_4_2 = zeta*( c1*e_3_3_2 &
48456 +c2*e_4_3_2&
48457 +10*e_5_3_2 &
48458 -6*e_4_2_2)
48459 e_4_3_3 = zetb*( c1*e_3_3_2 &
48460 +c3*e_4_3_2&
48461 +10*e_5_3_2 &
48462 -4*e_4_3_1)
48463 e_5_4_2 = zeta*( c1*e_4_3_2 &
48464 +c2*e_5_3_2&
48465
48466 )
48467 e_5_3_3 = zetb*( c1*e_4_3_2 &
48468 +c3*e_5_3_2&
48469
48470 )
48471 e_6_4_2 = zeta*( c1*e_5_3_2 &
48472
48473
48474 )
48475 e_6_3_3 = zetb*( c1*e_5_3_2 &
48476
48477
48478 )
48479 e_0_4_3 = zetb*( &
48480 +c3*e_0_4_2&
48481 +2*e_1_4_2 &
48482 -4*e_0_4_1)
48483 e_1_4_3 = zetb*( c1*e_0_4_2 &
48484 +c3*e_1_4_2&
48485 +4*e_2_4_2 &
48486 -4*e_1_4_1)
48487 e_2_4_3 = zetb*( c1*e_1_4_2 &
48488 +c3*e_2_4_2&
48489 +6*e_3_4_2 &
48490 -4*e_2_4_1)
48491 e_3_4_3 = zetb*( c1*e_2_4_2 &
48492 +c3*e_3_4_2&
48493 +8*e_4_4_2 &
48494 -4*e_3_4_1)
48495 e_4_4_3 = zetb*( c1*e_3_4_2 &
48496 +c3*e_4_4_2&
48497 +10*e_5_4_2 &
48498 -4*e_4_4_1)
48499 e_5_4_3 = zetb*( c1*e_4_4_2 &
48500 +c3*e_5_4_2&
48501 +12*e_6_4_2 &
48502 -4*e_5_4_1)
48503 e_6_4_3 = zetb*( c1*e_5_4_2 &
48504 +c3*e_6_4_2&
48505
48506 )
48507 e_7_4_3 = zetb*( c1*e_6_4_2 &
48508
48509
48510 )
48511 e_0_1_3 = zeta*( &
48512 +c2*e_0_0_3&
48513 +2*e_1_0_3 &
48514 )
48515 e_1_1_3 = zeta*( c1*e_0_0_3 &
48516 +c2*e_1_0_3&
48517 +4*e_2_0_3 &
48518 )
48519 e_2_1_3 = zeta*( c1*e_1_0_3 &
48520 +c2*e_2_0_3&
48521 +6*e_3_0_3 &
48522 )
48523 e_3_1_3 = zeta*( c1*e_2_0_3 &
48524 +c2*e_3_0_3&
48525
48526 )
48527 e_4_1_3 = zeta*( c1*e_3_0_3 &
48528
48529
48530 )
48531 e_0_2_3 = zeta*( &
48532 +c2*e_0_1_3&
48533 +2*e_1_1_3 &
48534 -2*e_0_0_3)
48535 e_1_2_3 = zeta*( c1*e_0_1_3 &
48536 +c2*e_1_1_3&
48537 +4*e_2_1_3 &
48538 -2*e_1_0_3)
48539 e_2_2_3 = zeta*( c1*e_1_1_3 &
48540 +c2*e_2_1_3&
48541 +6*e_3_1_3 &
48542 -2*e_2_0_3)
48543 e_3_2_3 = zeta*( c1*e_2_1_3 &
48544 +c2*e_3_1_3&
48545 +8*e_4_1_3 &
48546 -2*e_3_0_3)
48547 e_4_2_3 = zeta*( c1*e_3_1_3 &
48548 +c2*e_4_1_3&
48549
48550 )
48551 e_5_2_3 = zeta*( c1*e_4_1_3 &
48552
48553
48554 )
48555 e_0_3_3 = zeta*( &
48556 +c2*e_0_2_3&
48557 +2*e_1_2_3 &
48558 -4*e_0_1_3)
48559 e_1_3_3 = zeta*( c1*e_0_2_3 &
48560 +c2*e_1_2_3&
48561 +4*e_2_2_3 &
48562 -4*e_1_1_3)
48563 e_2_3_3 = zeta*( c1*e_1_2_3 &
48564 +c2*e_2_2_3&
48565 +6*e_3_2_3 &
48566 -4*e_2_1_3)
48567 e_3_3_3 = zeta*( c1*e_2_2_3 &
48568 +c2*e_3_2_3&
48569 +8*e_4_2_3 &
48570 -4*e_3_1_3)
48571 e_4_3_3 = zeta*( c1*e_3_2_3 &
48572 +c2*e_4_2_3&
48573 +10*e_5_2_3 &
48574 -4*e_4_1_3)
48575 e_5_3_3 = zeta*( c1*e_4_2_3 &
48576 +c2*e_5_2_3&
48577
48578 )
48579 e_6_3_3 = zeta*( c1*e_5_2_3 &
48580
48581
48582 )
48583 e_0_4_3 = zeta*( &
48584 +c2*e_0_3_3&
48585 +2*e_1_3_3 &
48586 -6*e_0_2_3)
48587 e_1_4_3 = zeta*( c1*e_0_3_3 &
48588 +c2*e_1_3_3&
48589 +4*e_2_3_3 &
48590 -6*e_1_2_3)
48591 e_2_4_3 = zeta*( c1*e_1_3_3 &
48592 +c2*e_2_3_3&
48593 +6*e_3_3_3 &
48594 -6*e_2_2_3)
48595 e_3_4_3 = zeta*( c1*e_2_3_3 &
48596 +c2*e_3_3_3&
48597 +8*e_4_3_3 &
48598 -6*e_3_2_3)
48599 e_4_4_3 = zeta*( c1*e_3_3_3 &
48600 +c2*e_4_3_3&
48601 +10*e_5_3_3 &
48602 -6*e_4_2_3)
48603 e_5_4_3 = zeta*( c1*e_4_3_3 &
48604 +c2*e_5_3_3&
48605 +12*e_6_3_3 &
48606 -6*e_5_2_3)
48607 e_6_4_3 = zeta*( c1*e_5_3_3 &
48608 +c2*e_6_3_3&
48609
48610 )
48611 e_7_4_3 = zeta*( c1*e_6_3_3 &
48612
48613
48614 )
48615
48616 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
48617 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
48618 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
48619 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
48620 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
48621 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
48622 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
48623 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
48624 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
48625 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
48626 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
48627 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
48628 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
48629 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
48630 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
48631 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
48632 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
48633 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
48634 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
48635 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
48636 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
48637 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
48638 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
48639 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
48640 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
48641 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
48642 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
48643 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
48644 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
48645 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
48646 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
48647 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
48648 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
48649 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
48650 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
48651 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
48652 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
48653 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
48654 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
48655 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
48656 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
48657 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
48658 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
48659 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
48660 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
48661 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
48662 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
48663 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
48664 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
48665 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
48666 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
48667 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
48668 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
48669 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
48670 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
48671 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
48672 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
48673 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
48674 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
48675 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
48676 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
48677 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
48678 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
48679 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
48680 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
48681 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
48682 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
48683 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
48684 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
48685 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
48686 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
48687 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
48688 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
48689 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
48690 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
48691 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
48692 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
48693 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
48694 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
48695 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
48696 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
48697 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
48698 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
48699 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
48700 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
48701 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
48702 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
48703 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
48704 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
48705 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
48706 r1 = r1 + dr
48707 END DO
48708
48709 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
48710 END SUBROUTINE
48711 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_1_exp_0 ( &
48712 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
48713 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
48714 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
48715 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
48716 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
48717 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
48718 r_pow_t, r_tmp, rr1_delta, rr2_delta
48719
48720 REAL(kind=dp) :: c1, c2, c3
48721 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
48722 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
48723 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
48724 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
48725 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
48726 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
48727 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
48728 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
48729 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
48730 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
48731 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
48732 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
48733 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
48734 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
48735
48736
48737 dr = lgth
48738 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
48739
48740 s_r(:, :, :) = 0.0_dp
48741
48742 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
48743
48744 h_to_c_0_0 = sqrt(alpha/pi)
48745
48746 h_to_c_0_1 = 0.0_dp
48747 h_to_c_1_1 = +2*alpha*h_to_c_0_0
48748 h_to_c_0_2 = -1*h_to_c_1_1
48749 h_to_c_1_2 = +2*alpha*h_to_c_0_1
48750 h_to_c_2_2 = +2*alpha*h_to_c_1_1
48751 h_to_c_0_3 = -1*h_to_c_1_2
48752 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
48753 h_to_c_2_3 = +2*alpha*h_to_c_1_2
48754 h_to_c_3_3 = +2*alpha*h_to_c_2_2
48755 h_to_c_0_4 = -1*h_to_c_1_3
48756 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
48757 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
48758 h_to_c_3_4 = +2*alpha*h_to_c_2_3
48759 h_to_c_4_4 = +2*alpha*h_to_c_3_3
48760 h_to_c_0_5 = -1*h_to_c_1_4
48761 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
48762 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
48763 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
48764 h_to_c_4_5 = +2*alpha*h_to_c_3_4
48765 h_to_c_5_5 = +2*alpha*h_to_c_4_4
48766 h_to_c_0_6 = -1*h_to_c_1_5
48767 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
48768 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
48769 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
48770 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
48771 h_to_c_5_6 = +2*alpha*h_to_c_4_5
48772 h_to_c_6_6 = +2*alpha*h_to_c_5_5
48773 h_to_c_0_7 = -1*h_to_c_1_6
48774 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
48775 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
48776 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
48777 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
48778 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
48779 h_to_c_6_7 = +2*alpha*h_to_c_5_6
48780 h_to_c_7_7 = +2*alpha*h_to_c_6_6
48781 h_to_c_0_8 = -1*h_to_c_1_7
48782 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
48783 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
48784 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
48785 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
48786 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
48787 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
48788 h_to_c_7_8 = +2*alpha*h_to_c_6_7
48789 h_to_c_8_8 = +2*alpha*h_to_c_7_7
48790
48791
48792 rr1_delta = (ra - rb)/dr
48793
48794 rr1_l = ceiling(-r_c(1) + rr1_delta)
48795 rr1_r = floor(r_c(1) + rr1_delta)
48796
48797 r1 = rr1_l*dr
48798
48799 alpha_e = zeta*zetb/(zeta + zetb)
48800
48801 DO rr1 = rr1_l, rr1_r
48802 s_r_t_0 = 0.0_dp
48803 s_r_t2_0 = 0.0_dp
48804 s_r_t_1 = 0.0_dp
48805 s_r_t2_1 = 0.0_dp
48806 s_r_t_2 = 0.0_dp
48807 s_r_t2_2 = 0.0_dp
48808 s_r_t_3 = 0.0_dp
48809 s_r_t2_3 = 0.0_dp
48810 s_r_t_4 = 0.0_dp
48811 s_r_t2_4 = 0.0_dp
48812 s_r_t_5 = 0.0_dp
48813 s_r_t2_5 = 0.0_dp
48814 s_r_t_6 = 0.0_dp
48815 s_r_t2_6 = 0.0_dp
48816 s_r_t_7 = 0.0_dp
48817 s_r_t2_7 = 0.0_dp
48818 s_r_t_8 = 0.0_dp
48819 s_r_t2_8 = 0.0_dp
48820 r_tmp = r_offset + r1*zeta/(zeta + zetb)
48821 rr2_delta = -r_tmp/dr
48822
48823 rr2_l = ceiling(-r_c(2) + rr2_delta)
48824 rr2_r = floor(r_c(2) + rr2_delta)
48825
48826 r = r_tmp + (rr2_l)*dr
48827
48828
48829 DO rr2 = rr2_l, rr2_r
48830 r_pow_t = 1.0_dp
48831 exp2_rsq = exp(-alpha*r*r)
48832 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
48833 r_pow_t = r_pow_t*r
48834 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
48835 r_pow_t = r_pow_t*r
48836 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
48837 r_pow_t = r_pow_t*r
48838 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
48839 r_pow_t = r_pow_t*r
48840 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
48841 r_pow_t = r_pow_t*r
48842 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
48843 r_pow_t = r_pow_t*r
48844 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
48845 r_pow_t = r_pow_t*r
48846 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
48847 r_pow_t = r_pow_t*r
48848 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
48849
48850 r = r + dr
48851 END DO
48852
48853 ! C --> H
48854 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
48855 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
48856 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
48857 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
48858 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
48859 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
48860 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
48861 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
48862 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
48863 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
48864 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
48865 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
48866 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
48867 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
48868 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
48869 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
48870 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
48871 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
48872 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
48873 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
48874 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
48875 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
48876 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
48877 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
48878 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
48879 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
48880 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
48881 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
48882 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
48883 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
48884 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
48885 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
48886 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
48887 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
48888 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
48889 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
48890 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
48891 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
48892 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
48893 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
48894 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
48895 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
48896 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
48897 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
48898 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
48899
48900 ! H --> HH
48901 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
48902
48903 c1 = 1.0_dp/(zeta + zetb)
48904 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
48905 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
48906
48907 e_0_1_0 = zeta*( &
48908 +c2*e_0_0_0&
48909
48910 )
48911 e_0_0_1 = zetb*( &
48912 +c3*e_0_0_0&
48913
48914 )
48915 e_1_1_0 = zeta*( c1*e_0_0_0 &
48916
48917
48918 )
48919 e_1_0_1 = zetb*( c1*e_0_0_0 &
48920
48921
48922 )
48923 e_0_2_0 = zeta*( &
48924 +c2*e_0_1_0&
48925 +2*e_1_1_0 &
48926 -2*e_0_0_0)
48927 e_0_1_1 = zetb*( &
48928 +c3*e_0_1_0&
48929 +2*e_1_1_0 &
48930 )
48931 e_1_2_0 = zeta*( c1*e_0_1_0 &
48932 +c2*e_1_1_0&
48933
48934 )
48935 e_1_1_1 = zetb*( c1*e_0_1_0 &
48936 +c3*e_1_1_0&
48937
48938 )
48939 e_2_2_0 = zeta*( c1*e_1_1_0 &
48940
48941
48942 )
48943 e_2_1_1 = zetb*( c1*e_1_1_0 &
48944
48945
48946 )
48947 e_0_3_0 = zeta*( &
48948 +c2*e_0_2_0&
48949 +2*e_1_2_0 &
48950 -4*e_0_1_0)
48951 e_0_2_1 = zetb*( &
48952 +c3*e_0_2_0&
48953 +2*e_1_2_0 &
48954 )
48955 e_1_3_0 = zeta*( c1*e_0_2_0 &
48956 +c2*e_1_2_0&
48957 +4*e_2_2_0 &
48958 -4*e_1_1_0)
48959 e_1_2_1 = zetb*( c1*e_0_2_0 &
48960 +c3*e_1_2_0&
48961 +4*e_2_2_0 &
48962 )
48963 e_2_3_0 = zeta*( c1*e_1_2_0 &
48964 +c2*e_2_2_0&
48965
48966 )
48967 e_2_2_1 = zetb*( c1*e_1_2_0 &
48968 +c3*e_2_2_0&
48969
48970 )
48971 e_3_3_0 = zeta*( c1*e_2_2_0 &
48972
48973
48974 )
48975 e_3_2_1 = zetb*( c1*e_2_2_0 &
48976
48977
48978 )
48979 e_0_4_0 = zeta*( &
48980 +c2*e_0_3_0&
48981 +2*e_1_3_0 &
48982 -6*e_0_2_0)
48983 e_0_3_1 = zetb*( &
48984 +c3*e_0_3_0&
48985 +2*e_1_3_0 &
48986 )
48987 e_1_4_0 = zeta*( c1*e_0_3_0 &
48988 +c2*e_1_3_0&
48989 +4*e_2_3_0 &
48990 -6*e_1_2_0)
48991 e_1_3_1 = zetb*( c1*e_0_3_0 &
48992 +c3*e_1_3_0&
48993 +4*e_2_3_0 &
48994 )
48995 e_2_4_0 = zeta*( c1*e_1_3_0 &
48996 +c2*e_2_3_0&
48997 +6*e_3_3_0 &
48998 -6*e_2_2_0)
48999 e_2_3_1 = zetb*( c1*e_1_3_0 &
49000 +c3*e_2_3_0&
49001 +6*e_3_3_0 &
49002 )
49003 e_3_4_0 = zeta*( c1*e_2_3_0 &
49004 +c2*e_3_3_0&
49005
49006 )
49007 e_3_3_1 = zetb*( c1*e_2_3_0 &
49008 +c3*e_3_3_0&
49009
49010 )
49011 e_4_4_0 = zeta*( c1*e_3_3_0 &
49012
49013
49014 )
49015 e_4_3_1 = zetb*( c1*e_3_3_0 &
49016
49017
49018 )
49019 e_0_4_1 = zetb*( &
49020 +c3*e_0_4_0&
49021 +2*e_1_4_0 &
49022 )
49023 e_1_4_1 = zetb*( c1*e_0_4_0 &
49024 +c3*e_1_4_0&
49025 +4*e_2_4_0 &
49026 )
49027 e_2_4_1 = zetb*( c1*e_1_4_0 &
49028 +c3*e_2_4_0&
49029 +6*e_3_4_0 &
49030 )
49031 e_3_4_1 = zetb*( c1*e_2_4_0 &
49032 +c3*e_3_4_0&
49033 +8*e_4_4_0 &
49034 )
49035 e_4_4_1 = zetb*( c1*e_3_4_0 &
49036 +c3*e_4_4_0&
49037
49038 )
49039 e_5_4_1 = zetb*( c1*e_4_4_0 &
49040
49041
49042 )
49043 e_0_1_1 = zeta*( &
49044 +c2*e_0_0_1&
49045 +2*e_1_0_1 &
49046 )
49047 e_0_0_2 = zetb*( &
49048 +c3*e_0_0_1&
49049 +2*e_1_0_1 &
49050 -2*e_0_0_0)
49051 e_1_1_1 = zeta*( c1*e_0_0_1 &
49052 +c2*e_1_0_1&
49053
49054 )
49055 e_1_0_2 = zetb*( c1*e_0_0_1 &
49056 +c3*e_1_0_1&
49057
49058 )
49059 e_2_1_1 = zeta*( c1*e_1_0_1 &
49060
49061
49062 )
49063 e_2_0_2 = zetb*( c1*e_1_0_1 &
49064
49065
49066 )
49067 e_0_2_1 = zeta*( &
49068 +c2*e_0_1_1&
49069 +2*e_1_1_1 &
49070 -2*e_0_0_1)
49071 e_0_1_2 = zetb*( &
49072 +c3*e_0_1_1&
49073 +2*e_1_1_1 &
49074 -2*e_0_1_0)
49075 e_1_2_1 = zeta*( c1*e_0_1_1 &
49076 +c2*e_1_1_1&
49077 +4*e_2_1_1 &
49078 -2*e_1_0_1)
49079 e_1_1_2 = zetb*( c1*e_0_1_1 &
49080 +c3*e_1_1_1&
49081 +4*e_2_1_1 &
49082 -2*e_1_1_0)
49083 e_2_2_1 = zeta*( c1*e_1_1_1 &
49084 +c2*e_2_1_1&
49085
49086 )
49087 e_2_1_2 = zetb*( c1*e_1_1_1 &
49088 +c3*e_2_1_1&
49089
49090 )
49091 e_3_2_1 = zeta*( c1*e_2_1_1 &
49092
49093
49094 )
49095 e_3_1_2 = zetb*( c1*e_2_1_1 &
49096
49097
49098 )
49099 e_0_3_1 = zeta*( &
49100 +c2*e_0_2_1&
49101 +2*e_1_2_1 &
49102 -4*e_0_1_1)
49103 e_0_2_2 = zetb*( &
49104 +c3*e_0_2_1&
49105 +2*e_1_2_1 &
49106 -2*e_0_2_0)
49107 e_1_3_1 = zeta*( c1*e_0_2_1 &
49108 +c2*e_1_2_1&
49109 +4*e_2_2_1 &
49110 -4*e_1_1_1)
49111 e_1_2_2 = zetb*( c1*e_0_2_1 &
49112 +c3*e_1_2_1&
49113 +4*e_2_2_1 &
49114 -2*e_1_2_0)
49115 e_2_3_1 = zeta*( c1*e_1_2_1 &
49116 +c2*e_2_2_1&
49117 +6*e_3_2_1 &
49118 -4*e_2_1_1)
49119 e_2_2_2 = zetb*( c1*e_1_2_1 &
49120 +c3*e_2_2_1&
49121 +6*e_3_2_1 &
49122 -2*e_2_2_0)
49123 e_3_3_1 = zeta*( c1*e_2_2_1 &
49124 +c2*e_3_2_1&
49125
49126 )
49127 e_3_2_2 = zetb*( c1*e_2_2_1 &
49128 +c3*e_3_2_1&
49129
49130 )
49131 e_4_3_1 = zeta*( c1*e_3_2_1 &
49132
49133
49134 )
49135 e_4_2_2 = zetb*( c1*e_3_2_1 &
49136
49137
49138 )
49139 e_0_4_1 = zeta*( &
49140 +c2*e_0_3_1&
49141 +2*e_1_3_1 &
49142 -6*e_0_2_1)
49143 e_0_3_2 = zetb*( &
49144 +c3*e_0_3_1&
49145 +2*e_1_3_1 &
49146 -2*e_0_3_0)
49147 e_1_4_1 = zeta*( c1*e_0_3_1 &
49148 +c2*e_1_3_1&
49149 +4*e_2_3_1 &
49150 -6*e_1_2_1)
49151 e_1_3_2 = zetb*( c1*e_0_3_1 &
49152 +c3*e_1_3_1&
49153 +4*e_2_3_1 &
49154 -2*e_1_3_0)
49155 e_2_4_1 = zeta*( c1*e_1_3_1 &
49156 +c2*e_2_3_1&
49157 +6*e_3_3_1 &
49158 -6*e_2_2_1)
49159 e_2_3_2 = zetb*( c1*e_1_3_1 &
49160 +c3*e_2_3_1&
49161 +6*e_3_3_1 &
49162 -2*e_2_3_0)
49163 e_3_4_1 = zeta*( c1*e_2_3_1 &
49164 +c2*e_3_3_1&
49165 +8*e_4_3_1 &
49166 -6*e_3_2_1)
49167 e_3_3_2 = zetb*( c1*e_2_3_1 &
49168 +c3*e_3_3_1&
49169 +8*e_4_3_1 &
49170 -2*e_3_3_0)
49171 e_4_4_1 = zeta*( c1*e_3_3_1 &
49172 +c2*e_4_3_1&
49173
49174 )
49175 e_4_3_2 = zetb*( c1*e_3_3_1 &
49176 +c3*e_4_3_1&
49177
49178 )
49179 e_5_4_1 = zeta*( c1*e_4_3_1 &
49180
49181
49182 )
49183 e_5_3_2 = zetb*( c1*e_4_3_1 &
49184
49185
49186 )
49187 e_0_4_2 = zetb*( &
49188 +c3*e_0_4_1&
49189 +2*e_1_4_1 &
49190 -2*e_0_4_0)
49191 e_1_4_2 = zetb*( c1*e_0_4_1 &
49192 +c3*e_1_4_1&
49193 +4*e_2_4_1 &
49194 -2*e_1_4_0)
49195 e_2_4_2 = zetb*( c1*e_1_4_1 &
49196 +c3*e_2_4_1&
49197 +6*e_3_4_1 &
49198 -2*e_2_4_0)
49199 e_3_4_2 = zetb*( c1*e_2_4_1 &
49200 +c3*e_3_4_1&
49201 +8*e_4_4_1 &
49202 -2*e_3_4_0)
49203 e_4_4_2 = zetb*( c1*e_3_4_1 &
49204 +c3*e_4_4_1&
49205 +10*e_5_4_1 &
49206 -2*e_4_4_0)
49207 e_5_4_2 = zetb*( c1*e_4_4_1 &
49208 +c3*e_5_4_1&
49209
49210 )
49211 e_6_4_2 = zetb*( c1*e_5_4_1 &
49212
49213
49214 )
49215 e_0_1_2 = zeta*( &
49216 +c2*e_0_0_2&
49217 +2*e_1_0_2 &
49218 )
49219 e_0_0_3 = zetb*( &
49220 +c3*e_0_0_2&
49221 +2*e_1_0_2 &
49222 -4*e_0_0_1)
49223 e_1_1_2 = zeta*( c1*e_0_0_2 &
49224 +c2*e_1_0_2&
49225 +4*e_2_0_2 &
49226 )
49227 e_1_0_3 = zetb*( c1*e_0_0_2 &
49228 +c3*e_1_0_2&
49229 +4*e_2_0_2 &
49230 -4*e_1_0_1)
49231 e_2_1_2 = zeta*( c1*e_1_0_2 &
49232 +c2*e_2_0_2&
49233
49234 )
49235 e_2_0_3 = zetb*( c1*e_1_0_2 &
49236 +c3*e_2_0_2&
49237
49238 )
49239 e_3_1_2 = zeta*( c1*e_2_0_2 &
49240
49241
49242 )
49243 e_3_0_3 = zetb*( c1*e_2_0_2 &
49244
49245
49246 )
49247 e_0_2_2 = zeta*( &
49248 +c2*e_0_1_2&
49249 +2*e_1_1_2 &
49250 -2*e_0_0_2)
49251 e_0_1_3 = zetb*( &
49252 +c3*e_0_1_2&
49253 +2*e_1_1_2 &
49254 -4*e_0_1_1)
49255 e_1_2_2 = zeta*( c1*e_0_1_2 &
49256 +c2*e_1_1_2&
49257 +4*e_2_1_2 &
49258 -2*e_1_0_2)
49259 e_1_1_3 = zetb*( c1*e_0_1_2 &
49260 +c3*e_1_1_2&
49261 +4*e_2_1_2 &
49262 -4*e_1_1_1)
49263 e_2_2_2 = zeta*( c1*e_1_1_2 &
49264 +c2*e_2_1_2&
49265 +6*e_3_1_2 &
49266 -2*e_2_0_2)
49267 e_2_1_3 = zetb*( c1*e_1_1_2 &
49268 +c3*e_2_1_2&
49269 +6*e_3_1_2 &
49270 -4*e_2_1_1)
49271 e_3_2_2 = zeta*( c1*e_2_1_2 &
49272 +c2*e_3_1_2&
49273
49274 )
49275 e_3_1_3 = zetb*( c1*e_2_1_2 &
49276 +c3*e_3_1_2&
49277
49278 )
49279 e_4_2_2 = zeta*( c1*e_3_1_2 &
49280
49281
49282 )
49283 e_4_1_3 = zetb*( c1*e_3_1_2 &
49284
49285
49286 )
49287 e_0_3_2 = zeta*( &
49288 +c2*e_0_2_2&
49289 +2*e_1_2_2 &
49290 -4*e_0_1_2)
49291 e_0_2_3 = zetb*( &
49292 +c3*e_0_2_2&
49293 +2*e_1_2_2 &
49294 -4*e_0_2_1)
49295 e_1_3_2 = zeta*( c1*e_0_2_2 &
49296 +c2*e_1_2_2&
49297 +4*e_2_2_2 &
49298 -4*e_1_1_2)
49299 e_1_2_3 = zetb*( c1*e_0_2_2 &
49300 +c3*e_1_2_2&
49301 +4*e_2_2_2 &
49302 -4*e_1_2_1)
49303 e_2_3_2 = zeta*( c1*e_1_2_2 &
49304 +c2*e_2_2_2&
49305 +6*e_3_2_2 &
49306 -4*e_2_1_2)
49307 e_2_2_3 = zetb*( c1*e_1_2_2 &
49308 +c3*e_2_2_2&
49309 +6*e_3_2_2 &
49310 -4*e_2_2_1)
49311 e_3_3_2 = zeta*( c1*e_2_2_2 &
49312 +c2*e_3_2_2&
49313 +8*e_4_2_2 &
49314 -4*e_3_1_2)
49315 e_3_2_3 = zetb*( c1*e_2_2_2 &
49316 +c3*e_3_2_2&
49317 +8*e_4_2_2 &
49318 -4*e_3_2_1)
49319 e_4_3_2 = zeta*( c1*e_3_2_2 &
49320 +c2*e_4_2_2&
49321
49322 )
49323 e_4_2_3 = zetb*( c1*e_3_2_2 &
49324 +c3*e_4_2_2&
49325
49326 )
49327 e_5_3_2 = zeta*( c1*e_4_2_2 &
49328
49329
49330 )
49331 e_5_2_3 = zetb*( c1*e_4_2_2 &
49332
49333
49334 )
49335 e_0_4_2 = zeta*( &
49336 +c2*e_0_3_2&
49337 +2*e_1_3_2 &
49338 -6*e_0_2_2)
49339 e_0_3_3 = zetb*( &
49340 +c3*e_0_3_2&
49341 +2*e_1_3_2 &
49342 -4*e_0_3_1)
49343 e_1_4_2 = zeta*( c1*e_0_3_2 &
49344 +c2*e_1_3_2&
49345 +4*e_2_3_2 &
49346 -6*e_1_2_2)
49347 e_1_3_3 = zetb*( c1*e_0_3_2 &
49348 +c3*e_1_3_2&
49349 +4*e_2_3_2 &
49350 -4*e_1_3_1)
49351 e_2_4_2 = zeta*( c1*e_1_3_2 &
49352 +c2*e_2_3_2&
49353 +6*e_3_3_2 &
49354 -6*e_2_2_2)
49355 e_2_3_3 = zetb*( c1*e_1_3_2 &
49356 +c3*e_2_3_2&
49357 +6*e_3_3_2 &
49358 -4*e_2_3_1)
49359 e_3_4_2 = zeta*( c1*e_2_3_2 &
49360 +c2*e_3_3_2&
49361 +8*e_4_3_2 &
49362 -6*e_3_2_2)
49363 e_3_3_3 = zetb*( c1*e_2_3_2 &
49364 +c3*e_3_3_2&
49365 +8*e_4_3_2 &
49366 -4*e_3_3_1)
49367 e_4_4_2 = zeta*( c1*e_3_3_2 &
49368 +c2*e_4_3_2&
49369 +10*e_5_3_2 &
49370 -6*e_4_2_2)
49371 e_4_3_3 = zetb*( c1*e_3_3_2 &
49372 +c3*e_4_3_2&
49373 +10*e_5_3_2 &
49374 -4*e_4_3_1)
49375 e_5_4_2 = zeta*( c1*e_4_3_2 &
49376 +c2*e_5_3_2&
49377
49378 )
49379 e_5_3_3 = zetb*( c1*e_4_3_2 &
49380 +c3*e_5_3_2&
49381
49382 )
49383 e_6_4_2 = zeta*( c1*e_5_3_2 &
49384
49385
49386 )
49387 e_6_3_3 = zetb*( c1*e_5_3_2 &
49388
49389
49390 )
49391 e_0_4_3 = zetb*( &
49392 +c3*e_0_4_2&
49393 +2*e_1_4_2 &
49394 -4*e_0_4_1)
49395 e_1_4_3 = zetb*( c1*e_0_4_2 &
49396 +c3*e_1_4_2&
49397 +4*e_2_4_2 &
49398 -4*e_1_4_1)
49399 e_2_4_3 = zetb*( c1*e_1_4_2 &
49400 +c3*e_2_4_2&
49401 +6*e_3_4_2 &
49402 -4*e_2_4_1)
49403 e_3_4_3 = zetb*( c1*e_2_4_2 &
49404 +c3*e_3_4_2&
49405 +8*e_4_4_2 &
49406 -4*e_3_4_1)
49407 e_4_4_3 = zetb*( c1*e_3_4_2 &
49408 +c3*e_4_4_2&
49409 +10*e_5_4_2 &
49410 -4*e_4_4_1)
49411 e_5_4_3 = zetb*( c1*e_4_4_2 &
49412 +c3*e_5_4_2&
49413 +12*e_6_4_2 &
49414 -4*e_5_4_1)
49415 e_6_4_3 = zetb*( c1*e_5_4_2 &
49416 +c3*e_6_4_2&
49417
49418 )
49419 e_7_4_3 = zetb*( c1*e_6_4_2 &
49420
49421
49422 )
49423 e_0_1_3 = zeta*( &
49424 +c2*e_0_0_3&
49425 +2*e_1_0_3 &
49426 )
49427 e_1_1_3 = zeta*( c1*e_0_0_3 &
49428 +c2*e_1_0_3&
49429 +4*e_2_0_3 &
49430 )
49431 e_2_1_3 = zeta*( c1*e_1_0_3 &
49432 +c2*e_2_0_3&
49433 +6*e_3_0_3 &
49434 )
49435 e_3_1_3 = zeta*( c1*e_2_0_3 &
49436 +c2*e_3_0_3&
49437
49438 )
49439 e_4_1_3 = zeta*( c1*e_3_0_3 &
49440
49441
49442 )
49443 e_0_2_3 = zeta*( &
49444 +c2*e_0_1_3&
49445 +2*e_1_1_3 &
49446 -2*e_0_0_3)
49447 e_1_2_3 = zeta*( c1*e_0_1_3 &
49448 +c2*e_1_1_3&
49449 +4*e_2_1_3 &
49450 -2*e_1_0_3)
49451 e_2_2_3 = zeta*( c1*e_1_1_3 &
49452 +c2*e_2_1_3&
49453 +6*e_3_1_3 &
49454 -2*e_2_0_3)
49455 e_3_2_3 = zeta*( c1*e_2_1_3 &
49456 +c2*e_3_1_3&
49457 +8*e_4_1_3 &
49458 -2*e_3_0_3)
49459 e_4_2_3 = zeta*( c1*e_3_1_3 &
49460 +c2*e_4_1_3&
49461
49462 )
49463 e_5_2_3 = zeta*( c1*e_4_1_3 &
49464
49465
49466 )
49467 e_0_3_3 = zeta*( &
49468 +c2*e_0_2_3&
49469 +2*e_1_2_3 &
49470 -4*e_0_1_3)
49471 e_1_3_3 = zeta*( c1*e_0_2_3 &
49472 +c2*e_1_2_3&
49473 +4*e_2_2_3 &
49474 -4*e_1_1_3)
49475 e_2_3_3 = zeta*( c1*e_1_2_3 &
49476 +c2*e_2_2_3&
49477 +6*e_3_2_3 &
49478 -4*e_2_1_3)
49479 e_3_3_3 = zeta*( c1*e_2_2_3 &
49480 +c2*e_3_2_3&
49481 +8*e_4_2_3 &
49482 -4*e_3_1_3)
49483 e_4_3_3 = zeta*( c1*e_3_2_3 &
49484 +c2*e_4_2_3&
49485 +10*e_5_2_3 &
49486 -4*e_4_1_3)
49487 e_5_3_3 = zeta*( c1*e_4_2_3 &
49488 +c2*e_5_2_3&
49489
49490 )
49491 e_6_3_3 = zeta*( c1*e_5_2_3 &
49492
49493
49494 )
49495 e_0_4_3 = zeta*( &
49496 +c2*e_0_3_3&
49497 +2*e_1_3_3 &
49498 -6*e_0_2_3)
49499 e_1_4_3 = zeta*( c1*e_0_3_3 &
49500 +c2*e_1_3_3&
49501 +4*e_2_3_3 &
49502 -6*e_1_2_3)
49503 e_2_4_3 = zeta*( c1*e_1_3_3 &
49504 +c2*e_2_3_3&
49505 +6*e_3_3_3 &
49506 -6*e_2_2_3)
49507 e_3_4_3 = zeta*( c1*e_2_3_3 &
49508 +c2*e_3_3_3&
49509 +8*e_4_3_3 &
49510 -6*e_3_2_3)
49511 e_4_4_3 = zeta*( c1*e_3_3_3 &
49512 +c2*e_4_3_3&
49513 +10*e_5_3_3 &
49514 -6*e_4_2_3)
49515 e_5_4_3 = zeta*( c1*e_4_3_3 &
49516 +c2*e_5_3_3&
49517 +12*e_6_3_3 &
49518 -6*e_5_2_3)
49519 e_6_4_3 = zeta*( c1*e_5_3_3 &
49520 +c2*e_6_3_3&
49521
49522 )
49523 e_7_4_3 = zeta*( c1*e_6_3_3 &
49524
49525
49526 )
49527
49528 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
49529 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
49530 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
49531 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
49532 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
49533 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
49534 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
49535 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
49536 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
49537 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
49538 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
49539 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
49540 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
49541 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
49542 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
49543 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
49544 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
49545 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
49546 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
49547 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
49548 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
49549 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
49550 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
49551 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
49552 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
49553 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
49554 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
49555 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
49556 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
49557 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
49558 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
49559 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
49560 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
49561 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
49562 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
49563 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
49564 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
49565 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
49566 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
49567 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
49568 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
49569 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
49570 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
49571 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
49572 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
49573 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
49574 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
49575 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
49576 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
49577 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
49578 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
49579 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
49580 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
49581 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
49582 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
49583 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
49584 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
49585 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
49586 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
49587 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
49588 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
49589 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
49590 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
49591 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
49592 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
49593 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
49594 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
49595 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
49596 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
49597 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
49598 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
49599 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
49600 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
49601 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
49602 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
49603 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
49604 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
49605 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
49606 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
49607 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
49608 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
49609 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
49610 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
49611 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
49612 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
49613 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
49614 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
49615 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
49616 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
49617 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
49618 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
49619 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
49620 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
49621 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
49622 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
49623 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
49624 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
49625 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
49626 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
49627 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
49628 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
49629 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
49630 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
49631 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
49632 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
49633 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
49634 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
49635 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
49636 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
49637 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
49638 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
49639 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
49640 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
49641 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
49642 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
49643 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
49644 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
49645 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
49646 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
49647 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
49648 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
49649 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
49650 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
49651 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
49652 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
49653 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
49654 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
49655 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
49656 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
49657 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
49658 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
49659 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
49660 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
49661 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
49662 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
49663 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
49664 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
49665 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
49666 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
49667 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
49668 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
49669 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
49670 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
49671 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
49672 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
49673 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
49674 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
49675 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
49676 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
49677 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
49678 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
49679 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
49680 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
49681 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
49682 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
49683 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
49684 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
49685 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
49686 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
49687 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
49688 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
49689 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
49690 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
49691 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
49692 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
49693 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
49694 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
49695 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
49696 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
49697 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
49698 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
49699 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
49700 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
49701 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
49702 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
49703 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
49704 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
49705 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
49706 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
49707 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
49708 r1 = r1 + dr
49709 END DO
49710
49711 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
49712 END SUBROUTINE
49713 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_2_exp_0 ( &
49714 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
49715 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
49716 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
49717 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
49718 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
49719 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
49720 r_pow_t, r_tmp, rr1_delta, rr2_delta
49721
49722 REAL(kind=dp) :: c1, c2, c3
49723 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
49724 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
49725 & s_r_t2_9
49726 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
49727 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
49728 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
49729 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
49730 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
49731 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
49732 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
49733 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
49734 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
49735 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
49736 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
49737 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
49738 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
49739
49740
49741 dr = lgth
49742 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
49743
49744 s_r(:, :, :) = 0.0_dp
49745
49746 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
49747
49748 h_to_c_0_0 = sqrt(alpha/pi)
49749
49750 h_to_c_0_1 = 0.0_dp
49751 h_to_c_1_1 = +2*alpha*h_to_c_0_0
49752 h_to_c_0_2 = -1*h_to_c_1_1
49753 h_to_c_1_2 = +2*alpha*h_to_c_0_1
49754 h_to_c_2_2 = +2*alpha*h_to_c_1_1
49755 h_to_c_0_3 = -1*h_to_c_1_2
49756 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
49757 h_to_c_2_3 = +2*alpha*h_to_c_1_2
49758 h_to_c_3_3 = +2*alpha*h_to_c_2_2
49759 h_to_c_0_4 = -1*h_to_c_1_3
49760 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
49761 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
49762 h_to_c_3_4 = +2*alpha*h_to_c_2_3
49763 h_to_c_4_4 = +2*alpha*h_to_c_3_3
49764 h_to_c_0_5 = -1*h_to_c_1_4
49765 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
49766 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
49767 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
49768 h_to_c_4_5 = +2*alpha*h_to_c_3_4
49769 h_to_c_5_5 = +2*alpha*h_to_c_4_4
49770 h_to_c_0_6 = -1*h_to_c_1_5
49771 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
49772 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
49773 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
49774 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
49775 h_to_c_5_6 = +2*alpha*h_to_c_4_5
49776 h_to_c_6_6 = +2*alpha*h_to_c_5_5
49777 h_to_c_0_7 = -1*h_to_c_1_6
49778 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
49779 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
49780 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
49781 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
49782 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
49783 h_to_c_6_7 = +2*alpha*h_to_c_5_6
49784 h_to_c_7_7 = +2*alpha*h_to_c_6_6
49785 h_to_c_0_8 = -1*h_to_c_1_7
49786 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
49787 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
49788 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
49789 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
49790 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
49791 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
49792 h_to_c_7_8 = +2*alpha*h_to_c_6_7
49793 h_to_c_8_8 = +2*alpha*h_to_c_7_7
49794 h_to_c_0_9 = -1*h_to_c_1_8
49795 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
49796 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
49797 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
49798 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
49799 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
49800 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
49801 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
49802 h_to_c_8_9 = +2*alpha*h_to_c_7_8
49803 h_to_c_9_9 = +2*alpha*h_to_c_8_8
49804
49805
49806 rr1_delta = (ra - rb)/dr
49807
49808 rr1_l = ceiling(-r_c(1) + rr1_delta)
49809 rr1_r = floor(r_c(1) + rr1_delta)
49810
49811 r1 = rr1_l*dr
49812
49813 alpha_e = zeta*zetb/(zeta + zetb)
49814
49815 DO rr1 = rr1_l, rr1_r
49816 s_r_t_0 = 0.0_dp
49817 s_r_t2_0 = 0.0_dp
49818 s_r_t_1 = 0.0_dp
49819 s_r_t2_1 = 0.0_dp
49820 s_r_t_2 = 0.0_dp
49821 s_r_t2_2 = 0.0_dp
49822 s_r_t_3 = 0.0_dp
49823 s_r_t2_3 = 0.0_dp
49824 s_r_t_4 = 0.0_dp
49825 s_r_t2_4 = 0.0_dp
49826 s_r_t_5 = 0.0_dp
49827 s_r_t2_5 = 0.0_dp
49828 s_r_t_6 = 0.0_dp
49829 s_r_t2_6 = 0.0_dp
49830 s_r_t_7 = 0.0_dp
49831 s_r_t2_7 = 0.0_dp
49832 s_r_t_8 = 0.0_dp
49833 s_r_t2_8 = 0.0_dp
49834 s_r_t_9 = 0.0_dp
49835 s_r_t2_9 = 0.0_dp
49836 r_tmp = r_offset + r1*zeta/(zeta + zetb)
49837 rr2_delta = -r_tmp/dr
49838
49839 rr2_l = ceiling(-r_c(2) + rr2_delta)
49840 rr2_r = floor(r_c(2) + rr2_delta)
49841
49842 r = r_tmp + (rr2_l)*dr
49843
49844
49845 DO rr2 = rr2_l, rr2_r
49846 r_pow_t = 1.0_dp
49847 exp2_rsq = exp(-alpha*r*r)
49848 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
49849 r_pow_t = r_pow_t*r
49850 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
49851 r_pow_t = r_pow_t*r
49852 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
49853 r_pow_t = r_pow_t*r
49854 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
49855 r_pow_t = r_pow_t*r
49856 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
49857 r_pow_t = r_pow_t*r
49858 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
49859 r_pow_t = r_pow_t*r
49860 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
49861 r_pow_t = r_pow_t*r
49862 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
49863 r_pow_t = r_pow_t*r
49864 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
49865 r_pow_t = r_pow_t*r
49866 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
49867
49868 r = r + dr
49869 END DO
49870
49871 ! C --> H
49872 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
49873 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
49874 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
49875 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
49876 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
49877 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
49878 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
49879 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
49880 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
49881 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
49882 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
49883 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
49884 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
49885 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
49886 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
49887 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
49888 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
49889 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
49890 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
49891 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
49892 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
49893 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
49894 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
49895 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
49896 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
49897 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
49898 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
49899 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
49900 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
49901 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
49902 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
49903 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
49904 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
49905 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
49906 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
49907 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
49908 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
49909 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
49910 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
49911 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
49912 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
49913 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
49914 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
49915 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
49916 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
49917 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
49918 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
49919 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
49920 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
49921 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
49922 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
49923 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
49924 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
49925 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
49926 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
49927
49928 ! H --> HH
49929 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
49930
49931 c1 = 1.0_dp/(zeta + zetb)
49932 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
49933 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
49934
49935 e_0_1_0 = zeta*( &
49936 +c2*e_0_0_0&
49937
49938 )
49939 e_0_0_1 = zetb*( &
49940 +c3*e_0_0_0&
49941
49942 )
49943 e_1_1_0 = zeta*( c1*e_0_0_0 &
49944
49945
49946 )
49947 e_1_0_1 = zetb*( c1*e_0_0_0 &
49948
49949
49950 )
49951 e_0_2_0 = zeta*( &
49952 +c2*e_0_1_0&
49953 +2*e_1_1_0 &
49954 -2*e_0_0_0)
49955 e_0_1_1 = zetb*( &
49956 +c3*e_0_1_0&
49957 +2*e_1_1_0 &
49958 )
49959 e_1_2_0 = zeta*( c1*e_0_1_0 &
49960 +c2*e_1_1_0&
49961
49962 )
49963 e_1_1_1 = zetb*( c1*e_0_1_0 &
49964 +c3*e_1_1_0&
49965
49966 )
49967 e_2_2_0 = zeta*( c1*e_1_1_0 &
49968
49969
49970 )
49971 e_2_1_1 = zetb*( c1*e_1_1_0 &
49972
49973
49974 )
49975 e_0_3_0 = zeta*( &
49976 +c2*e_0_2_0&
49977 +2*e_1_2_0 &
49978 -4*e_0_1_0)
49979 e_0_2_1 = zetb*( &
49980 +c3*e_0_2_0&
49981 +2*e_1_2_0 &
49982 )
49983 e_1_3_0 = zeta*( c1*e_0_2_0 &
49984 +c2*e_1_2_0&
49985 +4*e_2_2_0 &
49986 -4*e_1_1_0)
49987 e_1_2_1 = zetb*( c1*e_0_2_0 &
49988 +c3*e_1_2_0&
49989 +4*e_2_2_0 &
49990 )
49991 e_2_3_0 = zeta*( c1*e_1_2_0 &
49992 +c2*e_2_2_0&
49993
49994 )
49995 e_2_2_1 = zetb*( c1*e_1_2_0 &
49996 +c3*e_2_2_0&
49997
49998 )
49999 e_3_3_0 = zeta*( c1*e_2_2_0 &
50000
50001
50002 )
50003 e_3_2_1 = zetb*( c1*e_2_2_0 &
50004
50005
50006 )
50007 e_0_4_0 = zeta*( &
50008 +c2*e_0_3_0&
50009 +2*e_1_3_0 &
50010 -6*e_0_2_0)
50011 e_0_3_1 = zetb*( &
50012 +c3*e_0_3_0&
50013 +2*e_1_3_0 &
50014 )
50015 e_1_4_0 = zeta*( c1*e_0_3_0 &
50016 +c2*e_1_3_0&
50017 +4*e_2_3_0 &
50018 -6*e_1_2_0)
50019 e_1_3_1 = zetb*( c1*e_0_3_0 &
50020 +c3*e_1_3_0&
50021 +4*e_2_3_0 &
50022 )
50023 e_2_4_0 = zeta*( c1*e_1_3_0 &
50024 +c2*e_2_3_0&
50025 +6*e_3_3_0 &
50026 -6*e_2_2_0)
50027 e_2_3_1 = zetb*( c1*e_1_3_0 &
50028 +c3*e_2_3_0&
50029 +6*e_3_3_0 &
50030 )
50031 e_3_4_0 = zeta*( c1*e_2_3_0 &
50032 +c2*e_3_3_0&
50033
50034 )
50035 e_3_3_1 = zetb*( c1*e_2_3_0 &
50036 +c3*e_3_3_0&
50037
50038 )
50039 e_4_4_0 = zeta*( c1*e_3_3_0 &
50040
50041
50042 )
50043 e_4_3_1 = zetb*( c1*e_3_3_0 &
50044
50045
50046 )
50047 e_0_4_1 = zetb*( &
50048 +c3*e_0_4_0&
50049 +2*e_1_4_0 &
50050 )
50051 e_1_4_1 = zetb*( c1*e_0_4_0 &
50052 +c3*e_1_4_0&
50053 +4*e_2_4_0 &
50054 )
50055 e_2_4_1 = zetb*( c1*e_1_4_0 &
50056 +c3*e_2_4_0&
50057 +6*e_3_4_0 &
50058 )
50059 e_3_4_1 = zetb*( c1*e_2_4_0 &
50060 +c3*e_3_4_0&
50061 +8*e_4_4_0 &
50062 )
50063 e_4_4_1 = zetb*( c1*e_3_4_0 &
50064 +c3*e_4_4_0&
50065
50066 )
50067 e_5_4_1 = zetb*( c1*e_4_4_0 &
50068
50069
50070 )
50071 e_0_1_1 = zeta*( &
50072 +c2*e_0_0_1&
50073 +2*e_1_0_1 &
50074 )
50075 e_0_0_2 = zetb*( &
50076 +c3*e_0_0_1&
50077 +2*e_1_0_1 &
50078 -2*e_0_0_0)
50079 e_1_1_1 = zeta*( c1*e_0_0_1 &
50080 +c2*e_1_0_1&
50081
50082 )
50083 e_1_0_2 = zetb*( c1*e_0_0_1 &
50084 +c3*e_1_0_1&
50085
50086 )
50087 e_2_1_1 = zeta*( c1*e_1_0_1 &
50088
50089
50090 )
50091 e_2_0_2 = zetb*( c1*e_1_0_1 &
50092
50093
50094 )
50095 e_0_2_1 = zeta*( &
50096 +c2*e_0_1_1&
50097 +2*e_1_1_1 &
50098 -2*e_0_0_1)
50099 e_0_1_2 = zetb*( &
50100 +c3*e_0_1_1&
50101 +2*e_1_1_1 &
50102 -2*e_0_1_0)
50103 e_1_2_1 = zeta*( c1*e_0_1_1 &
50104 +c2*e_1_1_1&
50105 +4*e_2_1_1 &
50106 -2*e_1_0_1)
50107 e_1_1_2 = zetb*( c1*e_0_1_1 &
50108 +c3*e_1_1_1&
50109 +4*e_2_1_1 &
50110 -2*e_1_1_0)
50111 e_2_2_1 = zeta*( c1*e_1_1_1 &
50112 +c2*e_2_1_1&
50113
50114 )
50115 e_2_1_2 = zetb*( c1*e_1_1_1 &
50116 +c3*e_2_1_1&
50117
50118 )
50119 e_3_2_1 = zeta*( c1*e_2_1_1 &
50120
50121
50122 )
50123 e_3_1_2 = zetb*( c1*e_2_1_1 &
50124
50125
50126 )
50127 e_0_3_1 = zeta*( &
50128 +c2*e_0_2_1&
50129 +2*e_1_2_1 &
50130 -4*e_0_1_1)
50131 e_0_2_2 = zetb*( &
50132 +c3*e_0_2_1&
50133 +2*e_1_2_1 &
50134 -2*e_0_2_0)
50135 e_1_3_1 = zeta*( c1*e_0_2_1 &
50136 +c2*e_1_2_1&
50137 +4*e_2_2_1 &
50138 -4*e_1_1_1)
50139 e_1_2_2 = zetb*( c1*e_0_2_1 &
50140 +c3*e_1_2_1&
50141 +4*e_2_2_1 &
50142 -2*e_1_2_0)
50143 e_2_3_1 = zeta*( c1*e_1_2_1 &
50144 +c2*e_2_2_1&
50145 +6*e_3_2_1 &
50146 -4*e_2_1_1)
50147 e_2_2_2 = zetb*( c1*e_1_2_1 &
50148 +c3*e_2_2_1&
50149 +6*e_3_2_1 &
50150 -2*e_2_2_0)
50151 e_3_3_1 = zeta*( c1*e_2_2_1 &
50152 +c2*e_3_2_1&
50153
50154 )
50155 e_3_2_2 = zetb*( c1*e_2_2_1 &
50156 +c3*e_3_2_1&
50157
50158 )
50159 e_4_3_1 = zeta*( c1*e_3_2_1 &
50160
50161
50162 )
50163 e_4_2_2 = zetb*( c1*e_3_2_1 &
50164
50165
50166 )
50167 e_0_4_1 = zeta*( &
50168 +c2*e_0_3_1&
50169 +2*e_1_3_1 &
50170 -6*e_0_2_1)
50171 e_0_3_2 = zetb*( &
50172 +c3*e_0_3_1&
50173 +2*e_1_3_1 &
50174 -2*e_0_3_0)
50175 e_1_4_1 = zeta*( c1*e_0_3_1 &
50176 +c2*e_1_3_1&
50177 +4*e_2_3_1 &
50178 -6*e_1_2_1)
50179 e_1_3_2 = zetb*( c1*e_0_3_1 &
50180 +c3*e_1_3_1&
50181 +4*e_2_3_1 &
50182 -2*e_1_3_0)
50183 e_2_4_1 = zeta*( c1*e_1_3_1 &
50184 +c2*e_2_3_1&
50185 +6*e_3_3_1 &
50186 -6*e_2_2_1)
50187 e_2_3_2 = zetb*( c1*e_1_3_1 &
50188 +c3*e_2_3_1&
50189 +6*e_3_3_1 &
50190 -2*e_2_3_0)
50191 e_3_4_1 = zeta*( c1*e_2_3_1 &
50192 +c2*e_3_3_1&
50193 +8*e_4_3_1 &
50194 -6*e_3_2_1)
50195 e_3_3_2 = zetb*( c1*e_2_3_1 &
50196 +c3*e_3_3_1&
50197 +8*e_4_3_1 &
50198 -2*e_3_3_0)
50199 e_4_4_1 = zeta*( c1*e_3_3_1 &
50200 +c2*e_4_3_1&
50201
50202 )
50203 e_4_3_2 = zetb*( c1*e_3_3_1 &
50204 +c3*e_4_3_1&
50205
50206 )
50207 e_5_4_1 = zeta*( c1*e_4_3_1 &
50208
50209
50210 )
50211 e_5_3_2 = zetb*( c1*e_4_3_1 &
50212
50213
50214 )
50215 e_0_4_2 = zetb*( &
50216 +c3*e_0_4_1&
50217 +2*e_1_4_1 &
50218 -2*e_0_4_0)
50219 e_1_4_2 = zetb*( c1*e_0_4_1 &
50220 +c3*e_1_4_1&
50221 +4*e_2_4_1 &
50222 -2*e_1_4_0)
50223 e_2_4_2 = zetb*( c1*e_1_4_1 &
50224 +c3*e_2_4_1&
50225 +6*e_3_4_1 &
50226 -2*e_2_4_0)
50227 e_3_4_2 = zetb*( c1*e_2_4_1 &
50228 +c3*e_3_4_1&
50229 +8*e_4_4_1 &
50230 -2*e_3_4_0)
50231 e_4_4_2 = zetb*( c1*e_3_4_1 &
50232 +c3*e_4_4_1&
50233 +10*e_5_4_1 &
50234 -2*e_4_4_0)
50235 e_5_4_2 = zetb*( c1*e_4_4_1 &
50236 +c3*e_5_4_1&
50237
50238 )
50239 e_6_4_2 = zetb*( c1*e_5_4_1 &
50240
50241
50242 )
50243 e_0_1_2 = zeta*( &
50244 +c2*e_0_0_2&
50245 +2*e_1_0_2 &
50246 )
50247 e_0_0_3 = zetb*( &
50248 +c3*e_0_0_2&
50249 +2*e_1_0_2 &
50250 -4*e_0_0_1)
50251 e_1_1_2 = zeta*( c1*e_0_0_2 &
50252 +c2*e_1_0_2&
50253 +4*e_2_0_2 &
50254 )
50255 e_1_0_3 = zetb*( c1*e_0_0_2 &
50256 +c3*e_1_0_2&
50257 +4*e_2_0_2 &
50258 -4*e_1_0_1)
50259 e_2_1_2 = zeta*( c1*e_1_0_2 &
50260 +c2*e_2_0_2&
50261
50262 )
50263 e_2_0_3 = zetb*( c1*e_1_0_2 &
50264 +c3*e_2_0_2&
50265
50266 )
50267 e_3_1_2 = zeta*( c1*e_2_0_2 &
50268
50269
50270 )
50271 e_3_0_3 = zetb*( c1*e_2_0_2 &
50272
50273
50274 )
50275 e_0_2_2 = zeta*( &
50276 +c2*e_0_1_2&
50277 +2*e_1_1_2 &
50278 -2*e_0_0_2)
50279 e_0_1_3 = zetb*( &
50280 +c3*e_0_1_2&
50281 +2*e_1_1_2 &
50282 -4*e_0_1_1)
50283 e_1_2_2 = zeta*( c1*e_0_1_2 &
50284 +c2*e_1_1_2&
50285 +4*e_2_1_2 &
50286 -2*e_1_0_2)
50287 e_1_1_3 = zetb*( c1*e_0_1_2 &
50288 +c3*e_1_1_2&
50289 +4*e_2_1_2 &
50290 -4*e_1_1_1)
50291 e_2_2_2 = zeta*( c1*e_1_1_2 &
50292 +c2*e_2_1_2&
50293 +6*e_3_1_2 &
50294 -2*e_2_0_2)
50295 e_2_1_3 = zetb*( c1*e_1_1_2 &
50296 +c3*e_2_1_2&
50297 +6*e_3_1_2 &
50298 -4*e_2_1_1)
50299 e_3_2_2 = zeta*( c1*e_2_1_2 &
50300 +c2*e_3_1_2&
50301
50302 )
50303 e_3_1_3 = zetb*( c1*e_2_1_2 &
50304 +c3*e_3_1_2&
50305
50306 )
50307 e_4_2_2 = zeta*( c1*e_3_1_2 &
50308
50309
50310 )
50311 e_4_1_3 = zetb*( c1*e_3_1_2 &
50312
50313
50314 )
50315 e_0_3_2 = zeta*( &
50316 +c2*e_0_2_2&
50317 +2*e_1_2_2 &
50318 -4*e_0_1_2)
50319 e_0_2_3 = zetb*( &
50320 +c3*e_0_2_2&
50321 +2*e_1_2_2 &
50322 -4*e_0_2_1)
50323 e_1_3_2 = zeta*( c1*e_0_2_2 &
50324 +c2*e_1_2_2&
50325 +4*e_2_2_2 &
50326 -4*e_1_1_2)
50327 e_1_2_3 = zetb*( c1*e_0_2_2 &
50328 +c3*e_1_2_2&
50329 +4*e_2_2_2 &
50330 -4*e_1_2_1)
50331 e_2_3_2 = zeta*( c1*e_1_2_2 &
50332 +c2*e_2_2_2&
50333 +6*e_3_2_2 &
50334 -4*e_2_1_2)
50335 e_2_2_3 = zetb*( c1*e_1_2_2 &
50336 +c3*e_2_2_2&
50337 +6*e_3_2_2 &
50338 -4*e_2_2_1)
50339 e_3_3_2 = zeta*( c1*e_2_2_2 &
50340 +c2*e_3_2_2&
50341 +8*e_4_2_2 &
50342 -4*e_3_1_2)
50343 e_3_2_3 = zetb*( c1*e_2_2_2 &
50344 +c3*e_3_2_2&
50345 +8*e_4_2_2 &
50346 -4*e_3_2_1)
50347 e_4_3_2 = zeta*( c1*e_3_2_2 &
50348 +c2*e_4_2_2&
50349
50350 )
50351 e_4_2_3 = zetb*( c1*e_3_2_2 &
50352 +c3*e_4_2_2&
50353
50354 )
50355 e_5_3_2 = zeta*( c1*e_4_2_2 &
50356
50357
50358 )
50359 e_5_2_3 = zetb*( c1*e_4_2_2 &
50360
50361
50362 )
50363 e_0_4_2 = zeta*( &
50364 +c2*e_0_3_2&
50365 +2*e_1_3_2 &
50366 -6*e_0_2_2)
50367 e_0_3_3 = zetb*( &
50368 +c3*e_0_3_2&
50369 +2*e_1_3_2 &
50370 -4*e_0_3_1)
50371 e_1_4_2 = zeta*( c1*e_0_3_2 &
50372 +c2*e_1_3_2&
50373 +4*e_2_3_2 &
50374 -6*e_1_2_2)
50375 e_1_3_3 = zetb*( c1*e_0_3_2 &
50376 +c3*e_1_3_2&
50377 +4*e_2_3_2 &
50378 -4*e_1_3_1)
50379 e_2_4_2 = zeta*( c1*e_1_3_2 &
50380 +c2*e_2_3_2&
50381 +6*e_3_3_2 &
50382 -6*e_2_2_2)
50383 e_2_3_3 = zetb*( c1*e_1_3_2 &
50384 +c3*e_2_3_2&
50385 +6*e_3_3_2 &
50386 -4*e_2_3_1)
50387 e_3_4_2 = zeta*( c1*e_2_3_2 &
50388 +c2*e_3_3_2&
50389 +8*e_4_3_2 &
50390 -6*e_3_2_2)
50391 e_3_3_3 = zetb*( c1*e_2_3_2 &
50392 +c3*e_3_3_2&
50393 +8*e_4_3_2 &
50394 -4*e_3_3_1)
50395 e_4_4_2 = zeta*( c1*e_3_3_2 &
50396 +c2*e_4_3_2&
50397 +10*e_5_3_2 &
50398 -6*e_4_2_2)
50399 e_4_3_3 = zetb*( c1*e_3_3_2 &
50400 +c3*e_4_3_2&
50401 +10*e_5_3_2 &
50402 -4*e_4_3_1)
50403 e_5_4_2 = zeta*( c1*e_4_3_2 &
50404 +c2*e_5_3_2&
50405
50406 )
50407 e_5_3_3 = zetb*( c1*e_4_3_2 &
50408 +c3*e_5_3_2&
50409
50410 )
50411 e_6_4_2 = zeta*( c1*e_5_3_2 &
50412
50413
50414 )
50415 e_6_3_3 = zetb*( c1*e_5_3_2 &
50416
50417
50418 )
50419 e_0_4_3 = zetb*( &
50420 +c3*e_0_4_2&
50421 +2*e_1_4_2 &
50422 -4*e_0_4_1)
50423 e_1_4_3 = zetb*( c1*e_0_4_2 &
50424 +c3*e_1_4_2&
50425 +4*e_2_4_2 &
50426 -4*e_1_4_1)
50427 e_2_4_3 = zetb*( c1*e_1_4_2 &
50428 +c3*e_2_4_2&
50429 +6*e_3_4_2 &
50430 -4*e_2_4_1)
50431 e_3_4_3 = zetb*( c1*e_2_4_2 &
50432 +c3*e_3_4_2&
50433 +8*e_4_4_2 &
50434 -4*e_3_4_1)
50435 e_4_4_3 = zetb*( c1*e_3_4_2 &
50436 +c3*e_4_4_2&
50437 +10*e_5_4_2 &
50438 -4*e_4_4_1)
50439 e_5_4_3 = zetb*( c1*e_4_4_2 &
50440 +c3*e_5_4_2&
50441 +12*e_6_4_2 &
50442 -4*e_5_4_1)
50443 e_6_4_3 = zetb*( c1*e_5_4_2 &
50444 +c3*e_6_4_2&
50445
50446 )
50447 e_7_4_3 = zetb*( c1*e_6_4_2 &
50448
50449
50450 )
50451 e_0_1_3 = zeta*( &
50452 +c2*e_0_0_3&
50453 +2*e_1_0_3 &
50454 )
50455 e_1_1_3 = zeta*( c1*e_0_0_3 &
50456 +c2*e_1_0_3&
50457 +4*e_2_0_3 &
50458 )
50459 e_2_1_3 = zeta*( c1*e_1_0_3 &
50460 +c2*e_2_0_3&
50461 +6*e_3_0_3 &
50462 )
50463 e_3_1_3 = zeta*( c1*e_2_0_3 &
50464 +c2*e_3_0_3&
50465
50466 )
50467 e_4_1_3 = zeta*( c1*e_3_0_3 &
50468
50469
50470 )
50471 e_0_2_3 = zeta*( &
50472 +c2*e_0_1_3&
50473 +2*e_1_1_3 &
50474 -2*e_0_0_3)
50475 e_1_2_3 = zeta*( c1*e_0_1_3 &
50476 +c2*e_1_1_3&
50477 +4*e_2_1_3 &
50478 -2*e_1_0_3)
50479 e_2_2_3 = zeta*( c1*e_1_1_3 &
50480 +c2*e_2_1_3&
50481 +6*e_3_1_3 &
50482 -2*e_2_0_3)
50483 e_3_2_3 = zeta*( c1*e_2_1_3 &
50484 +c2*e_3_1_3&
50485 +8*e_4_1_3 &
50486 -2*e_3_0_3)
50487 e_4_2_3 = zeta*( c1*e_3_1_3 &
50488 +c2*e_4_1_3&
50489
50490 )
50491 e_5_2_3 = zeta*( c1*e_4_1_3 &
50492
50493
50494 )
50495 e_0_3_3 = zeta*( &
50496 +c2*e_0_2_3&
50497 +2*e_1_2_3 &
50498 -4*e_0_1_3)
50499 e_1_3_3 = zeta*( c1*e_0_2_3 &
50500 +c2*e_1_2_3&
50501 +4*e_2_2_3 &
50502 -4*e_1_1_3)
50503 e_2_3_3 = zeta*( c1*e_1_2_3 &
50504 +c2*e_2_2_3&
50505 +6*e_3_2_3 &
50506 -4*e_2_1_3)
50507 e_3_3_3 = zeta*( c1*e_2_2_3 &
50508 +c2*e_3_2_3&
50509 +8*e_4_2_3 &
50510 -4*e_3_1_3)
50511 e_4_3_3 = zeta*( c1*e_3_2_3 &
50512 +c2*e_4_2_3&
50513 +10*e_5_2_3 &
50514 -4*e_4_1_3)
50515 e_5_3_3 = zeta*( c1*e_4_2_3 &
50516 +c2*e_5_2_3&
50517
50518 )
50519 e_6_3_3 = zeta*( c1*e_5_2_3 &
50520
50521
50522 )
50523 e_0_4_3 = zeta*( &
50524 +c2*e_0_3_3&
50525 +2*e_1_3_3 &
50526 -6*e_0_2_3)
50527 e_1_4_3 = zeta*( c1*e_0_3_3 &
50528 +c2*e_1_3_3&
50529 +4*e_2_3_3 &
50530 -6*e_1_2_3)
50531 e_2_4_3 = zeta*( c1*e_1_3_3 &
50532 +c2*e_2_3_3&
50533 +6*e_3_3_3 &
50534 -6*e_2_2_3)
50535 e_3_4_3 = zeta*( c1*e_2_3_3 &
50536 +c2*e_3_3_3&
50537 +8*e_4_3_3 &
50538 -6*e_3_2_3)
50539 e_4_4_3 = zeta*( c1*e_3_3_3 &
50540 +c2*e_4_3_3&
50541 +10*e_5_3_3 &
50542 -6*e_4_2_3)
50543 e_5_4_3 = zeta*( c1*e_4_3_3 &
50544 +c2*e_5_3_3&
50545 +12*e_6_3_3 &
50546 -6*e_5_2_3)
50547 e_6_4_3 = zeta*( c1*e_5_3_3 &
50548 +c2*e_6_3_3&
50549
50550 )
50551 e_7_4_3 = zeta*( c1*e_6_3_3 &
50552
50553
50554 )
50555
50556 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
50557 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
50558 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
50559 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
50560 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
50561 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
50562 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
50563 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
50564 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
50565 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
50566 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
50567 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
50568 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
50569 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
50570 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
50571 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
50572 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
50573 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
50574 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
50575 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
50576 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
50577 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
50578 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
50579 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
50580 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
50581 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
50582 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
50583 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
50584 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
50585 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
50586 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
50587 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
50588 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
50589 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
50590 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
50591 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
50592 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
50593 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
50594 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
50595 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
50596 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
50597 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
50598 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
50599 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
50600 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
50601 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
50602 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
50603 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
50604 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
50605 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
50606 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
50607 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
50608 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
50609 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
50610 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
50611 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
50612 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
50613 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
50614 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
50615 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
50616 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
50617 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
50618 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
50619 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
50620 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
50621 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
50622 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
50623 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
50624 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
50625 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
50626 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
50627 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
50628 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
50629 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
50630 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
50631 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
50632 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
50633 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
50634 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
50635 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
50636 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
50637 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
50638 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
50639 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
50640 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
50641 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
50642 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
50643 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
50644 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
50645 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
50646 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
50647 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
50648 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
50649 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
50650 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
50651 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
50652 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
50653 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
50654 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
50655 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
50656 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
50657 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
50658 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
50659 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
50660 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
50661 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
50662 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
50663 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
50664 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
50665 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
50666 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
50667 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
50668 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
50669 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
50670 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
50671 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
50672 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
50673 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
50674 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
50675 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
50676 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
50677 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
50678 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
50679 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
50680 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
50681 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
50682 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
50683 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
50684 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
50685 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
50686 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
50687 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
50688 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
50689 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
50690 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
50691 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
50692 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
50693 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
50694 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
50695 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
50696 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
50697 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
50698 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
50699 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
50700 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
50701 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
50702 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
50703 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
50704 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
50705 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
50706 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
50707 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
50708 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
50709 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
50710 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
50711 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
50712 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
50713 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
50714 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
50715 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
50716 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
50717 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
50718 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
50719 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
50720 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
50721 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
50722 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
50723 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
50724 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
50725 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
50726 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
50727 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
50728 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
50729 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
50730 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
50731 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
50732 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
50733 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
50734 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
50735 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
50736 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
50737 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
50738 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
50739 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
50740 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
50741 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
50742 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
50743 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
50744 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
50745 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
50746 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
50747 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
50748 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
50749 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
50750 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
50751 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
50752 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
50753 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
50754 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
50755 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
50756 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
50757 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
50758 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
50759 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
50760 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
50761 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
50762 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
50763 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
50764 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
50765 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
50766 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
50767 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
50768 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
50769 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
50770 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
50771 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
50772 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
50773 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
50774 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
50775 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
50776 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
50777 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
50778 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
50779 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
50780 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
50781 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
50782 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
50783 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
50784 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
50785 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
50786 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
50787 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
50788 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
50789 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
50790 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
50791 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
50792 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
50793 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
50794 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
50795 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
50796 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
50797 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
50798 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
50799 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
50800 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
50801 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
50802 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
50803 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
50804 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
50805 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
50806 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
50807 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
50808 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
50809 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
50810 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
50811 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
50812 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
50813 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
50814 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
50815 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
50816 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
50817 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
50818 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
50819 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
50820 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
50821 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
50822 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
50823 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
50824 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
50825 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
50826 r1 = r1 + dr
50827 END DO
50828
50829 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
50830 END SUBROUTINE
50831 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_3_exp_0 ( &
50832 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
50833 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
50834 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
50835 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
50836 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
50837 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
50838 r_pow_t, r_tmp, rr1_delta, rr2_delta
50839
50840 REAL(kind=dp) :: c1, c2, c3
50841 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
50842 & s_r_t_10
50843 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
50844 & s_r_t2_9, s_r_t2_10
50845 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
50846 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
50847 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
50848 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
50849 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
50850 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
50851 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
50852 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
50853 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
50854 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
50855 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
50856 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
50857 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
50858 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
50859
50860
50861 dr = lgth
50862 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
50863
50864 s_r(:, :, :) = 0.0_dp
50865
50866 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
50867
50868 h_to_c_0_0 = sqrt(alpha/pi)
50869
50870 h_to_c_0_1 = 0.0_dp
50871 h_to_c_1_1 = +2*alpha*h_to_c_0_0
50872 h_to_c_0_2 = -1*h_to_c_1_1
50873 h_to_c_1_2 = +2*alpha*h_to_c_0_1
50874 h_to_c_2_2 = +2*alpha*h_to_c_1_1
50875 h_to_c_0_3 = -1*h_to_c_1_2
50876 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
50877 h_to_c_2_3 = +2*alpha*h_to_c_1_2
50878 h_to_c_3_3 = +2*alpha*h_to_c_2_2
50879 h_to_c_0_4 = -1*h_to_c_1_3
50880 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
50881 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
50882 h_to_c_3_4 = +2*alpha*h_to_c_2_3
50883 h_to_c_4_4 = +2*alpha*h_to_c_3_3
50884 h_to_c_0_5 = -1*h_to_c_1_4
50885 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
50886 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
50887 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
50888 h_to_c_4_5 = +2*alpha*h_to_c_3_4
50889 h_to_c_5_5 = +2*alpha*h_to_c_4_4
50890 h_to_c_0_6 = -1*h_to_c_1_5
50891 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
50892 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
50893 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
50894 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
50895 h_to_c_5_6 = +2*alpha*h_to_c_4_5
50896 h_to_c_6_6 = +2*alpha*h_to_c_5_5
50897 h_to_c_0_7 = -1*h_to_c_1_6
50898 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
50899 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
50900 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
50901 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
50902 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
50903 h_to_c_6_7 = +2*alpha*h_to_c_5_6
50904 h_to_c_7_7 = +2*alpha*h_to_c_6_6
50905 h_to_c_0_8 = -1*h_to_c_1_7
50906 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
50907 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
50908 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
50909 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
50910 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
50911 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
50912 h_to_c_7_8 = +2*alpha*h_to_c_6_7
50913 h_to_c_8_8 = +2*alpha*h_to_c_7_7
50914 h_to_c_0_9 = -1*h_to_c_1_8
50915 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
50916 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
50917 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
50918 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
50919 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
50920 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
50921 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
50922 h_to_c_8_9 = +2*alpha*h_to_c_7_8
50923 h_to_c_9_9 = +2*alpha*h_to_c_8_8
50924 h_to_c_0_10 = -1*h_to_c_1_9
50925 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
50926 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
50927 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
50928 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
50929 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
50930 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
50931 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
50932 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
50933 h_to_c_9_10 = +2*alpha*h_to_c_8_9
50934 h_to_c_10_10 = +2*alpha*h_to_c_9_9
50935
50936
50937 rr1_delta = (ra - rb)/dr
50938
50939 rr1_l = ceiling(-r_c(1) + rr1_delta)
50940 rr1_r = floor(r_c(1) + rr1_delta)
50941
50942 r1 = rr1_l*dr
50943
50944 alpha_e = zeta*zetb/(zeta + zetb)
50945
50946 DO rr1 = rr1_l, rr1_r
50947 s_r_t_0 = 0.0_dp
50948 s_r_t2_0 = 0.0_dp
50949 s_r_t_1 = 0.0_dp
50950 s_r_t2_1 = 0.0_dp
50951 s_r_t_2 = 0.0_dp
50952 s_r_t2_2 = 0.0_dp
50953 s_r_t_3 = 0.0_dp
50954 s_r_t2_3 = 0.0_dp
50955 s_r_t_4 = 0.0_dp
50956 s_r_t2_4 = 0.0_dp
50957 s_r_t_5 = 0.0_dp
50958 s_r_t2_5 = 0.0_dp
50959 s_r_t_6 = 0.0_dp
50960 s_r_t2_6 = 0.0_dp
50961 s_r_t_7 = 0.0_dp
50962 s_r_t2_7 = 0.0_dp
50963 s_r_t_8 = 0.0_dp
50964 s_r_t2_8 = 0.0_dp
50965 s_r_t_9 = 0.0_dp
50966 s_r_t2_9 = 0.0_dp
50967 s_r_t_10 = 0.0_dp
50968 s_r_t2_10 = 0.0_dp
50969 r_tmp = r_offset + r1*zeta/(zeta + zetb)
50970 rr2_delta = -r_tmp/dr
50971
50972 rr2_l = ceiling(-r_c(2) + rr2_delta)
50973 rr2_r = floor(r_c(2) + rr2_delta)
50974
50975 r = r_tmp + (rr2_l)*dr
50976
50977
50978 DO rr2 = rr2_l, rr2_r
50979 r_pow_t = 1.0_dp
50980 exp2_rsq = exp(-alpha*r*r)
50981 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
50982 r_pow_t = r_pow_t*r
50983 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
50984 r_pow_t = r_pow_t*r
50985 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
50986 r_pow_t = r_pow_t*r
50987 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
50988 r_pow_t = r_pow_t*r
50989 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
50990 r_pow_t = r_pow_t*r
50991 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
50992 r_pow_t = r_pow_t*r
50993 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
50994 r_pow_t = r_pow_t*r
50995 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
50996 r_pow_t = r_pow_t*r
50997 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
50998 r_pow_t = r_pow_t*r
50999 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
51000 r_pow_t = r_pow_t*r
51001 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
51002
51003 r = r + dr
51004 END DO
51005
51006 ! C --> H
51007 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
51008 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
51009 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
51010 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
51011 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
51012 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
51013 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
51014 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
51015 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
51016 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
51017 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
51018 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
51019 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
51020 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
51021 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
51022 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
51023 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
51024 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
51025 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
51026 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
51027 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
51028 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
51029 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
51030 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
51031 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
51032 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
51033 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
51034 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
51035 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
51036 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
51037 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
51038 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
51039 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
51040 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
51041 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
51042 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
51043 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
51044 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
51045 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
51046 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
51047 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
51048 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
51049 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
51050 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
51051 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
51052 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
51053 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
51054 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
51055 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
51056 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
51057 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
51058 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
51059 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
51060 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
51061 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
51062 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
51063 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
51064 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
51065 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
51066 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
51067 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
51068 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
51069 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
51070 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
51071 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
51072 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
51073
51074 ! H --> HH
51075 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
51076
51077 c1 = 1.0_dp/(zeta + zetb)
51078 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
51079 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
51080
51081 e_0_1_0 = zeta*( &
51082 +c2*e_0_0_0&
51083
51084 )
51085 e_0_0_1 = zetb*( &
51086 +c3*e_0_0_0&
51087
51088 )
51089 e_1_1_0 = zeta*( c1*e_0_0_0 &
51090
51091
51092 )
51093 e_1_0_1 = zetb*( c1*e_0_0_0 &
51094
51095
51096 )
51097 e_0_2_0 = zeta*( &
51098 +c2*e_0_1_0&
51099 +2*e_1_1_0 &
51100 -2*e_0_0_0)
51101 e_0_1_1 = zetb*( &
51102 +c3*e_0_1_0&
51103 +2*e_1_1_0 &
51104 )
51105 e_1_2_0 = zeta*( c1*e_0_1_0 &
51106 +c2*e_1_1_0&
51107
51108 )
51109 e_1_1_1 = zetb*( c1*e_0_1_0 &
51110 +c3*e_1_1_0&
51111
51112 )
51113 e_2_2_0 = zeta*( c1*e_1_1_0 &
51114
51115
51116 )
51117 e_2_1_1 = zetb*( c1*e_1_1_0 &
51118
51119
51120 )
51121 e_0_3_0 = zeta*( &
51122 +c2*e_0_2_0&
51123 +2*e_1_2_0 &
51124 -4*e_0_1_0)
51125 e_0_2_1 = zetb*( &
51126 +c3*e_0_2_0&
51127 +2*e_1_2_0 &
51128 )
51129 e_1_3_0 = zeta*( c1*e_0_2_0 &
51130 +c2*e_1_2_0&
51131 +4*e_2_2_0 &
51132 -4*e_1_1_0)
51133 e_1_2_1 = zetb*( c1*e_0_2_0 &
51134 +c3*e_1_2_0&
51135 +4*e_2_2_0 &
51136 )
51137 e_2_3_0 = zeta*( c1*e_1_2_0 &
51138 +c2*e_2_2_0&
51139
51140 )
51141 e_2_2_1 = zetb*( c1*e_1_2_0 &
51142 +c3*e_2_2_0&
51143
51144 )
51145 e_3_3_0 = zeta*( c1*e_2_2_0 &
51146
51147
51148 )
51149 e_3_2_1 = zetb*( c1*e_2_2_0 &
51150
51151
51152 )
51153 e_0_4_0 = zeta*( &
51154 +c2*e_0_3_0&
51155 +2*e_1_3_0 &
51156 -6*e_0_2_0)
51157 e_0_3_1 = zetb*( &
51158 +c3*e_0_3_0&
51159 +2*e_1_3_0 &
51160 )
51161 e_1_4_0 = zeta*( c1*e_0_3_0 &
51162 +c2*e_1_3_0&
51163 +4*e_2_3_0 &
51164 -6*e_1_2_0)
51165 e_1_3_1 = zetb*( c1*e_0_3_0 &
51166 +c3*e_1_3_0&
51167 +4*e_2_3_0 &
51168 )
51169 e_2_4_0 = zeta*( c1*e_1_3_0 &
51170 +c2*e_2_3_0&
51171 +6*e_3_3_0 &
51172 -6*e_2_2_0)
51173 e_2_3_1 = zetb*( c1*e_1_3_0 &
51174 +c3*e_2_3_0&
51175 +6*e_3_3_0 &
51176 )
51177 e_3_4_0 = zeta*( c1*e_2_3_0 &
51178 +c2*e_3_3_0&
51179
51180 )
51181 e_3_3_1 = zetb*( c1*e_2_3_0 &
51182 +c3*e_3_3_0&
51183
51184 )
51185 e_4_4_0 = zeta*( c1*e_3_3_0 &
51186
51187
51188 )
51189 e_4_3_1 = zetb*( c1*e_3_3_0 &
51190
51191
51192 )
51193 e_0_4_1 = zetb*( &
51194 +c3*e_0_4_0&
51195 +2*e_1_4_0 &
51196 )
51197 e_1_4_1 = zetb*( c1*e_0_4_0 &
51198 +c3*e_1_4_0&
51199 +4*e_2_4_0 &
51200 )
51201 e_2_4_1 = zetb*( c1*e_1_4_0 &
51202 +c3*e_2_4_0&
51203 +6*e_3_4_0 &
51204 )
51205 e_3_4_1 = zetb*( c1*e_2_4_0 &
51206 +c3*e_3_4_0&
51207 +8*e_4_4_0 &
51208 )
51209 e_4_4_1 = zetb*( c1*e_3_4_0 &
51210 +c3*e_4_4_0&
51211
51212 )
51213 e_5_4_1 = zetb*( c1*e_4_4_0 &
51214
51215
51216 )
51217 e_0_1_1 = zeta*( &
51218 +c2*e_0_0_1&
51219 +2*e_1_0_1 &
51220 )
51221 e_0_0_2 = zetb*( &
51222 +c3*e_0_0_1&
51223 +2*e_1_0_1 &
51224 -2*e_0_0_0)
51225 e_1_1_1 = zeta*( c1*e_0_0_1 &
51226 +c2*e_1_0_1&
51227
51228 )
51229 e_1_0_2 = zetb*( c1*e_0_0_1 &
51230 +c3*e_1_0_1&
51231
51232 )
51233 e_2_1_1 = zeta*( c1*e_1_0_1 &
51234
51235
51236 )
51237 e_2_0_2 = zetb*( c1*e_1_0_1 &
51238
51239
51240 )
51241 e_0_2_1 = zeta*( &
51242 +c2*e_0_1_1&
51243 +2*e_1_1_1 &
51244 -2*e_0_0_1)
51245 e_0_1_2 = zetb*( &
51246 +c3*e_0_1_1&
51247 +2*e_1_1_1 &
51248 -2*e_0_1_0)
51249 e_1_2_1 = zeta*( c1*e_0_1_1 &
51250 +c2*e_1_1_1&
51251 +4*e_2_1_1 &
51252 -2*e_1_0_1)
51253 e_1_1_2 = zetb*( c1*e_0_1_1 &
51254 +c3*e_1_1_1&
51255 +4*e_2_1_1 &
51256 -2*e_1_1_0)
51257 e_2_2_1 = zeta*( c1*e_1_1_1 &
51258 +c2*e_2_1_1&
51259
51260 )
51261 e_2_1_2 = zetb*( c1*e_1_1_1 &
51262 +c3*e_2_1_1&
51263
51264 )
51265 e_3_2_1 = zeta*( c1*e_2_1_1 &
51266
51267
51268 )
51269 e_3_1_2 = zetb*( c1*e_2_1_1 &
51270
51271
51272 )
51273 e_0_3_1 = zeta*( &
51274 +c2*e_0_2_1&
51275 +2*e_1_2_1 &
51276 -4*e_0_1_1)
51277 e_0_2_2 = zetb*( &
51278 +c3*e_0_2_1&
51279 +2*e_1_2_1 &
51280 -2*e_0_2_0)
51281 e_1_3_1 = zeta*( c1*e_0_2_1 &
51282 +c2*e_1_2_1&
51283 +4*e_2_2_1 &
51284 -4*e_1_1_1)
51285 e_1_2_2 = zetb*( c1*e_0_2_1 &
51286 +c3*e_1_2_1&
51287 +4*e_2_2_1 &
51288 -2*e_1_2_0)
51289 e_2_3_1 = zeta*( c1*e_1_2_1 &
51290 +c2*e_2_2_1&
51291 +6*e_3_2_1 &
51292 -4*e_2_1_1)
51293 e_2_2_2 = zetb*( c1*e_1_2_1 &
51294 +c3*e_2_2_1&
51295 +6*e_3_2_1 &
51296 -2*e_2_2_0)
51297 e_3_3_1 = zeta*( c1*e_2_2_1 &
51298 +c2*e_3_2_1&
51299
51300 )
51301 e_3_2_2 = zetb*( c1*e_2_2_1 &
51302 +c3*e_3_2_1&
51303
51304 )
51305 e_4_3_1 = zeta*( c1*e_3_2_1 &
51306
51307
51308 )
51309 e_4_2_2 = zetb*( c1*e_3_2_1 &
51310
51311
51312 )
51313 e_0_4_1 = zeta*( &
51314 +c2*e_0_3_1&
51315 +2*e_1_3_1 &
51316 -6*e_0_2_1)
51317 e_0_3_2 = zetb*( &
51318 +c3*e_0_3_1&
51319 +2*e_1_3_1 &
51320 -2*e_0_3_0)
51321 e_1_4_1 = zeta*( c1*e_0_3_1 &
51322 +c2*e_1_3_1&
51323 +4*e_2_3_1 &
51324 -6*e_1_2_1)
51325 e_1_3_2 = zetb*( c1*e_0_3_1 &
51326 +c3*e_1_3_1&
51327 +4*e_2_3_1 &
51328 -2*e_1_3_0)
51329 e_2_4_1 = zeta*( c1*e_1_3_1 &
51330 +c2*e_2_3_1&
51331 +6*e_3_3_1 &
51332 -6*e_2_2_1)
51333 e_2_3_2 = zetb*( c1*e_1_3_1 &
51334 +c3*e_2_3_1&
51335 +6*e_3_3_1 &
51336 -2*e_2_3_0)
51337 e_3_4_1 = zeta*( c1*e_2_3_1 &
51338 +c2*e_3_3_1&
51339 +8*e_4_3_1 &
51340 -6*e_3_2_1)
51341 e_3_3_2 = zetb*( c1*e_2_3_1 &
51342 +c3*e_3_3_1&
51343 +8*e_4_3_1 &
51344 -2*e_3_3_0)
51345 e_4_4_1 = zeta*( c1*e_3_3_1 &
51346 +c2*e_4_3_1&
51347
51348 )
51349 e_4_3_2 = zetb*( c1*e_3_3_1 &
51350 +c3*e_4_3_1&
51351
51352 )
51353 e_5_4_1 = zeta*( c1*e_4_3_1 &
51354
51355
51356 )
51357 e_5_3_2 = zetb*( c1*e_4_3_1 &
51358
51359
51360 )
51361 e_0_4_2 = zetb*( &
51362 +c3*e_0_4_1&
51363 +2*e_1_4_1 &
51364 -2*e_0_4_0)
51365 e_1_4_2 = zetb*( c1*e_0_4_1 &
51366 +c3*e_1_4_1&
51367 +4*e_2_4_1 &
51368 -2*e_1_4_0)
51369 e_2_4_2 = zetb*( c1*e_1_4_1 &
51370 +c3*e_2_4_1&
51371 +6*e_3_4_1 &
51372 -2*e_2_4_0)
51373 e_3_4_2 = zetb*( c1*e_2_4_1 &
51374 +c3*e_3_4_1&
51375 +8*e_4_4_1 &
51376 -2*e_3_4_0)
51377 e_4_4_2 = zetb*( c1*e_3_4_1 &
51378 +c3*e_4_4_1&
51379 +10*e_5_4_1 &
51380 -2*e_4_4_0)
51381 e_5_4_2 = zetb*( c1*e_4_4_1 &
51382 +c3*e_5_4_1&
51383
51384 )
51385 e_6_4_2 = zetb*( c1*e_5_4_1 &
51386
51387
51388 )
51389 e_0_1_2 = zeta*( &
51390 +c2*e_0_0_2&
51391 +2*e_1_0_2 &
51392 )
51393 e_0_0_3 = zetb*( &
51394 +c3*e_0_0_2&
51395 +2*e_1_0_2 &
51396 -4*e_0_0_1)
51397 e_1_1_2 = zeta*( c1*e_0_0_2 &
51398 +c2*e_1_0_2&
51399 +4*e_2_0_2 &
51400 )
51401 e_1_0_3 = zetb*( c1*e_0_0_2 &
51402 +c3*e_1_0_2&
51403 +4*e_2_0_2 &
51404 -4*e_1_0_1)
51405 e_2_1_2 = zeta*( c1*e_1_0_2 &
51406 +c2*e_2_0_2&
51407
51408 )
51409 e_2_0_3 = zetb*( c1*e_1_0_2 &
51410 +c3*e_2_0_2&
51411
51412 )
51413 e_3_1_2 = zeta*( c1*e_2_0_2 &
51414
51415
51416 )
51417 e_3_0_3 = zetb*( c1*e_2_0_2 &
51418
51419
51420 )
51421 e_0_2_2 = zeta*( &
51422 +c2*e_0_1_2&
51423 +2*e_1_1_2 &
51424 -2*e_0_0_2)
51425 e_0_1_3 = zetb*( &
51426 +c3*e_0_1_2&
51427 +2*e_1_1_2 &
51428 -4*e_0_1_1)
51429 e_1_2_2 = zeta*( c1*e_0_1_2 &
51430 +c2*e_1_1_2&
51431 +4*e_2_1_2 &
51432 -2*e_1_0_2)
51433 e_1_1_3 = zetb*( c1*e_0_1_2 &
51434 +c3*e_1_1_2&
51435 +4*e_2_1_2 &
51436 -4*e_1_1_1)
51437 e_2_2_2 = zeta*( c1*e_1_1_2 &
51438 +c2*e_2_1_2&
51439 +6*e_3_1_2 &
51440 -2*e_2_0_2)
51441 e_2_1_3 = zetb*( c1*e_1_1_2 &
51442 +c3*e_2_1_2&
51443 +6*e_3_1_2 &
51444 -4*e_2_1_1)
51445 e_3_2_2 = zeta*( c1*e_2_1_2 &
51446 +c2*e_3_1_2&
51447
51448 )
51449 e_3_1_3 = zetb*( c1*e_2_1_2 &
51450 +c3*e_3_1_2&
51451
51452 )
51453 e_4_2_2 = zeta*( c1*e_3_1_2 &
51454
51455
51456 )
51457 e_4_1_3 = zetb*( c1*e_3_1_2 &
51458
51459
51460 )
51461 e_0_3_2 = zeta*( &
51462 +c2*e_0_2_2&
51463 +2*e_1_2_2 &
51464 -4*e_0_1_2)
51465 e_0_2_3 = zetb*( &
51466 +c3*e_0_2_2&
51467 +2*e_1_2_2 &
51468 -4*e_0_2_1)
51469 e_1_3_2 = zeta*( c1*e_0_2_2 &
51470 +c2*e_1_2_2&
51471 +4*e_2_2_2 &
51472 -4*e_1_1_2)
51473 e_1_2_3 = zetb*( c1*e_0_2_2 &
51474 +c3*e_1_2_2&
51475 +4*e_2_2_2 &
51476 -4*e_1_2_1)
51477 e_2_3_2 = zeta*( c1*e_1_2_2 &
51478 +c2*e_2_2_2&
51479 +6*e_3_2_2 &
51480 -4*e_2_1_2)
51481 e_2_2_3 = zetb*( c1*e_1_2_2 &
51482 +c3*e_2_2_2&
51483 +6*e_3_2_2 &
51484 -4*e_2_2_1)
51485 e_3_3_2 = zeta*( c1*e_2_2_2 &
51486 +c2*e_3_2_2&
51487 +8*e_4_2_2 &
51488 -4*e_3_1_2)
51489 e_3_2_3 = zetb*( c1*e_2_2_2 &
51490 +c3*e_3_2_2&
51491 +8*e_4_2_2 &
51492 -4*e_3_2_1)
51493 e_4_3_2 = zeta*( c1*e_3_2_2 &
51494 +c2*e_4_2_2&
51495
51496 )
51497 e_4_2_3 = zetb*( c1*e_3_2_2 &
51498 +c3*e_4_2_2&
51499
51500 )
51501 e_5_3_2 = zeta*( c1*e_4_2_2 &
51502
51503
51504 )
51505 e_5_2_3 = zetb*( c1*e_4_2_2 &
51506
51507
51508 )
51509 e_0_4_2 = zeta*( &
51510 +c2*e_0_3_2&
51511 +2*e_1_3_2 &
51512 -6*e_0_2_2)
51513 e_0_3_3 = zetb*( &
51514 +c3*e_0_3_2&
51515 +2*e_1_3_2 &
51516 -4*e_0_3_1)
51517 e_1_4_2 = zeta*( c1*e_0_3_2 &
51518 +c2*e_1_3_2&
51519 +4*e_2_3_2 &
51520 -6*e_1_2_2)
51521 e_1_3_3 = zetb*( c1*e_0_3_2 &
51522 +c3*e_1_3_2&
51523 +4*e_2_3_2 &
51524 -4*e_1_3_1)
51525 e_2_4_2 = zeta*( c1*e_1_3_2 &
51526 +c2*e_2_3_2&
51527 +6*e_3_3_2 &
51528 -6*e_2_2_2)
51529 e_2_3_3 = zetb*( c1*e_1_3_2 &
51530 +c3*e_2_3_2&
51531 +6*e_3_3_2 &
51532 -4*e_2_3_1)
51533 e_3_4_2 = zeta*( c1*e_2_3_2 &
51534 +c2*e_3_3_2&
51535 +8*e_4_3_2 &
51536 -6*e_3_2_2)
51537 e_3_3_3 = zetb*( c1*e_2_3_2 &
51538 +c3*e_3_3_2&
51539 +8*e_4_3_2 &
51540 -4*e_3_3_1)
51541 e_4_4_2 = zeta*( c1*e_3_3_2 &
51542 +c2*e_4_3_2&
51543 +10*e_5_3_2 &
51544 -6*e_4_2_2)
51545 e_4_3_3 = zetb*( c1*e_3_3_2 &
51546 +c3*e_4_3_2&
51547 +10*e_5_3_2 &
51548 -4*e_4_3_1)
51549 e_5_4_2 = zeta*( c1*e_4_3_2 &
51550 +c2*e_5_3_2&
51551
51552 )
51553 e_5_3_3 = zetb*( c1*e_4_3_2 &
51554 +c3*e_5_3_2&
51555
51556 )
51557 e_6_4_2 = zeta*( c1*e_5_3_2 &
51558
51559
51560 )
51561 e_6_3_3 = zetb*( c1*e_5_3_2 &
51562
51563
51564 )
51565 e_0_4_3 = zetb*( &
51566 +c3*e_0_4_2&
51567 +2*e_1_4_2 &
51568 -4*e_0_4_1)
51569 e_1_4_3 = zetb*( c1*e_0_4_2 &
51570 +c3*e_1_4_2&
51571 +4*e_2_4_2 &
51572 -4*e_1_4_1)
51573 e_2_4_3 = zetb*( c1*e_1_4_2 &
51574 +c3*e_2_4_2&
51575 +6*e_3_4_2 &
51576 -4*e_2_4_1)
51577 e_3_4_3 = zetb*( c1*e_2_4_2 &
51578 +c3*e_3_4_2&
51579 +8*e_4_4_2 &
51580 -4*e_3_4_1)
51581 e_4_4_3 = zetb*( c1*e_3_4_2 &
51582 +c3*e_4_4_2&
51583 +10*e_5_4_2 &
51584 -4*e_4_4_1)
51585 e_5_4_3 = zetb*( c1*e_4_4_2 &
51586 +c3*e_5_4_2&
51587 +12*e_6_4_2 &
51588 -4*e_5_4_1)
51589 e_6_4_3 = zetb*( c1*e_5_4_2 &
51590 +c3*e_6_4_2&
51591
51592 )
51593 e_7_4_3 = zetb*( c1*e_6_4_2 &
51594
51595
51596 )
51597 e_0_1_3 = zeta*( &
51598 +c2*e_0_0_3&
51599 +2*e_1_0_3 &
51600 )
51601 e_1_1_3 = zeta*( c1*e_0_0_3 &
51602 +c2*e_1_0_3&
51603 +4*e_2_0_3 &
51604 )
51605 e_2_1_3 = zeta*( c1*e_1_0_3 &
51606 +c2*e_2_0_3&
51607 +6*e_3_0_3 &
51608 )
51609 e_3_1_3 = zeta*( c1*e_2_0_3 &
51610 +c2*e_3_0_3&
51611
51612 )
51613 e_4_1_3 = zeta*( c1*e_3_0_3 &
51614
51615
51616 )
51617 e_0_2_3 = zeta*( &
51618 +c2*e_0_1_3&
51619 +2*e_1_1_3 &
51620 -2*e_0_0_3)
51621 e_1_2_3 = zeta*( c1*e_0_1_3 &
51622 +c2*e_1_1_3&
51623 +4*e_2_1_3 &
51624 -2*e_1_0_3)
51625 e_2_2_3 = zeta*( c1*e_1_1_3 &
51626 +c2*e_2_1_3&
51627 +6*e_3_1_3 &
51628 -2*e_2_0_3)
51629 e_3_2_3 = zeta*( c1*e_2_1_3 &
51630 +c2*e_3_1_3&
51631 +8*e_4_1_3 &
51632 -2*e_3_0_3)
51633 e_4_2_3 = zeta*( c1*e_3_1_3 &
51634 +c2*e_4_1_3&
51635
51636 )
51637 e_5_2_3 = zeta*( c1*e_4_1_3 &
51638
51639
51640 )
51641 e_0_3_3 = zeta*( &
51642 +c2*e_0_2_3&
51643 +2*e_1_2_3 &
51644 -4*e_0_1_3)
51645 e_1_3_3 = zeta*( c1*e_0_2_3 &
51646 +c2*e_1_2_3&
51647 +4*e_2_2_3 &
51648 -4*e_1_1_3)
51649 e_2_3_3 = zeta*( c1*e_1_2_3 &
51650 +c2*e_2_2_3&
51651 +6*e_3_2_3 &
51652 -4*e_2_1_3)
51653 e_3_3_3 = zeta*( c1*e_2_2_3 &
51654 +c2*e_3_2_3&
51655 +8*e_4_2_3 &
51656 -4*e_3_1_3)
51657 e_4_3_3 = zeta*( c1*e_3_2_3 &
51658 +c2*e_4_2_3&
51659 +10*e_5_2_3 &
51660 -4*e_4_1_3)
51661 e_5_3_3 = zeta*( c1*e_4_2_3 &
51662 +c2*e_5_2_3&
51663
51664 )
51665 e_6_3_3 = zeta*( c1*e_5_2_3 &
51666
51667
51668 )
51669 e_0_4_3 = zeta*( &
51670 +c2*e_0_3_3&
51671 +2*e_1_3_3 &
51672 -6*e_0_2_3)
51673 e_1_4_3 = zeta*( c1*e_0_3_3 &
51674 +c2*e_1_3_3&
51675 +4*e_2_3_3 &
51676 -6*e_1_2_3)
51677 e_2_4_3 = zeta*( c1*e_1_3_3 &
51678 +c2*e_2_3_3&
51679 +6*e_3_3_3 &
51680 -6*e_2_2_3)
51681 e_3_4_3 = zeta*( c1*e_2_3_3 &
51682 +c2*e_3_3_3&
51683 +8*e_4_3_3 &
51684 -6*e_3_2_3)
51685 e_4_4_3 = zeta*( c1*e_3_3_3 &
51686 +c2*e_4_3_3&
51687 +10*e_5_3_3 &
51688 -6*e_4_2_3)
51689 e_5_4_3 = zeta*( c1*e_4_3_3 &
51690 +c2*e_5_3_3&
51691 +12*e_6_3_3 &
51692 -6*e_5_2_3)
51693 e_6_4_3 = zeta*( c1*e_5_3_3 &
51694 +c2*e_6_3_3&
51695
51696 )
51697 e_7_4_3 = zeta*( c1*e_6_3_3 &
51698
51699
51700 )
51701
51702 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
51703 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
51704 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
51705 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
51706 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
51707 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
51708 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
51709 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
51710 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
51711 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
51712 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
51713 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
51714 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
51715 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
51716 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
51717 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
51718 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
51719 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
51720 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
51721 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
51722 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
51723 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
51724 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
51725 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
51726 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
51727 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
51728 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
51729 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
51730 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
51731 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
51732 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
51733 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
51734 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
51735 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
51736 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
51737 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
51738 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
51739 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
51740 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
51741 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
51742 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
51743 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
51744 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
51745 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
51746 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
51747 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
51748 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
51749 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
51750 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
51751 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
51752 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
51753 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
51754 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
51755 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
51756 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
51757 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
51758 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
51759 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
51760 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
51761 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
51762 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
51763 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
51764 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
51765 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
51766 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
51767 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
51768 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
51769 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
51770 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
51771 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
51772 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
51773 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
51774 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
51775 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
51776 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
51777 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
51778 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
51779 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
51780 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
51781 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
51782 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
51783 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
51784 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
51785 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
51786 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
51787 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
51788 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
51789 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
51790 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
51791 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
51792 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
51793 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
51794 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
51795 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
51796 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
51797 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
51798 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
51799 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
51800 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
51801 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
51802 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
51803 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
51804 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
51805 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
51806 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
51807 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
51808 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
51809 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
51810 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
51811 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
51812 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
51813 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
51814 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
51815 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
51816 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
51817 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
51818 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
51819 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
51820 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
51821 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
51822 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
51823 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
51824 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
51825 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
51826 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
51827 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
51828 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
51829 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
51830 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
51831 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
51832 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
51833 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
51834 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
51835 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
51836 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
51837 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
51838 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
51839 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
51840 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
51841 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
51842 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
51843 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
51844 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
51845 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
51846 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
51847 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
51848 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
51849 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
51850 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
51851 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
51852 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
51853 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
51854 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
51855 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
51856 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
51857 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
51858 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
51859 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
51860 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
51861 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
51862 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
51863 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
51864 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
51865 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
51866 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
51867 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
51868 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
51869 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
51870 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
51871 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
51872 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
51873 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
51874 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
51875 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
51876 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
51877 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
51878 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
51879 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
51880 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
51881 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
51882 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
51883 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
51884 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
51885 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
51886 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
51887 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
51888 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
51889 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
51890 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
51891 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
51892 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
51893 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
51894 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
51895 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
51896 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
51897 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
51898 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
51899 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
51900 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
51901 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
51902 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
51903 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
51904 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
51905 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
51906 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
51907 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
51908 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
51909 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
51910 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
51911 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
51912 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
51913 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
51914 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
51915 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
51916 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
51917 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
51918 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
51919 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
51920 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
51921 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
51922 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
51923 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
51924 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
51925 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
51926 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
51927 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
51928 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
51929 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
51930 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
51931 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
51932 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
51933 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
51934 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
51935 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
51936 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
51937 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
51938 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
51939 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
51940 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
51941 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
51942 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
51943 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
51944 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
51945 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
51946 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
51947 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
51948 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
51949 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
51950 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
51951 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
51952 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
51953 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
51954 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
51955 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
51956 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
51957 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
51958 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
51959 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
51960 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
51961 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
51962 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
51963 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
51964 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
51965 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
51966 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
51967 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
51968 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
51969 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
51970 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
51971 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
51972 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
51973 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
51974 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
51975 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
51976 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
51977 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
51978 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
51979 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
51980 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
51981 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
51982 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
51983 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
51984 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
51985 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
51986 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
51987 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
51988 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
51989 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
51990 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
51991 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
51992 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
51993 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
51994 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
51995 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
51996 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
51997 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
51998 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
51999 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
52000 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
52001 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
52002 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
52003 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
52004 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
52005 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
52006 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
52007 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
52008 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
52009 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
52010 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
52011 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
52012 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
52013 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
52014 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
52015 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
52016 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
52017 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
52018 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
52019 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
52020 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
52021 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
52022 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
52023 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
52024 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
52025 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
52026 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
52027 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
52028 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
52029 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
52030 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
52031 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
52032 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
52033 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
52034 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
52035 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
52036 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
52037 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
52038 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
52039 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
52040 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
52041 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
52042 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
52043 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
52044 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
52045 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
52046 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
52047 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
52048 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
52049 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
52050 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
52051 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
52052 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
52053 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
52054 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
52055 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
52056 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
52057 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
52058 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
52059 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
52060 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
52061 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
52062 r1 = r1 + dr
52063 END DO
52064
52065 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
52066 END SUBROUTINE
52067 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_4_exp_0 ( &
52068 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
52069 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
52070 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
52071 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
52072 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
52073 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
52074 r_pow_t, r_tmp, rr1_delta, rr2_delta
52075
52076 REAL(kind=dp) :: c1, c2, c3
52077 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
52078 & s_r_t_10, s_r_t_11
52079 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
52080 & s_r_t2_9, s_r_t2_10, s_r_t2_11
52081 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
52082 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
52083 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
52084 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
52085 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
52086 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
52087 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
52088 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
52089 & h_to_c_10_11, h_to_c_11_11
52090 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
52091 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
52092 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
52093 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
52094 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
52095 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
52096 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
52097
52098
52099 dr = lgth
52100 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
52101
52102 s_r(:, :, :) = 0.0_dp
52103
52104 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
52105
52106 h_to_c_0_0 = sqrt(alpha/pi)
52107
52108 h_to_c_0_1 = 0.0_dp
52109 h_to_c_1_1 = +2*alpha*h_to_c_0_0
52110 h_to_c_0_2 = -1*h_to_c_1_1
52111 h_to_c_1_2 = +2*alpha*h_to_c_0_1
52112 h_to_c_2_2 = +2*alpha*h_to_c_1_1
52113 h_to_c_0_3 = -1*h_to_c_1_2
52114 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
52115 h_to_c_2_3 = +2*alpha*h_to_c_1_2
52116 h_to_c_3_3 = +2*alpha*h_to_c_2_2
52117 h_to_c_0_4 = -1*h_to_c_1_3
52118 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
52119 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
52120 h_to_c_3_4 = +2*alpha*h_to_c_2_3
52121 h_to_c_4_4 = +2*alpha*h_to_c_3_3
52122 h_to_c_0_5 = -1*h_to_c_1_4
52123 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
52124 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
52125 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
52126 h_to_c_4_5 = +2*alpha*h_to_c_3_4
52127 h_to_c_5_5 = +2*alpha*h_to_c_4_4
52128 h_to_c_0_6 = -1*h_to_c_1_5
52129 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
52130 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
52131 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
52132 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
52133 h_to_c_5_6 = +2*alpha*h_to_c_4_5
52134 h_to_c_6_6 = +2*alpha*h_to_c_5_5
52135 h_to_c_0_7 = -1*h_to_c_1_6
52136 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
52137 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
52138 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
52139 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
52140 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
52141 h_to_c_6_7 = +2*alpha*h_to_c_5_6
52142 h_to_c_7_7 = +2*alpha*h_to_c_6_6
52143 h_to_c_0_8 = -1*h_to_c_1_7
52144 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
52145 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
52146 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
52147 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
52148 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
52149 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
52150 h_to_c_7_8 = +2*alpha*h_to_c_6_7
52151 h_to_c_8_8 = +2*alpha*h_to_c_7_7
52152 h_to_c_0_9 = -1*h_to_c_1_8
52153 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
52154 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
52155 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
52156 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
52157 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
52158 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
52159 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
52160 h_to_c_8_9 = +2*alpha*h_to_c_7_8
52161 h_to_c_9_9 = +2*alpha*h_to_c_8_8
52162 h_to_c_0_10 = -1*h_to_c_1_9
52163 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
52164 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
52165 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
52166 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
52167 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
52168 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
52169 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
52170 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
52171 h_to_c_9_10 = +2*alpha*h_to_c_8_9
52172 h_to_c_10_10 = +2*alpha*h_to_c_9_9
52173 h_to_c_0_11 = -1*h_to_c_1_10
52174 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
52175 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
52176 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
52177 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
52178 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
52179 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
52180 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
52181 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
52182 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
52183 h_to_c_10_11 = +2*alpha*h_to_c_9_10
52184 h_to_c_11_11 = +2*alpha*h_to_c_10_10
52185
52186
52187 rr1_delta = (ra - rb)/dr
52188
52189 rr1_l = ceiling(-r_c(1) + rr1_delta)
52190 rr1_r = floor(r_c(1) + rr1_delta)
52191
52192 r1 = rr1_l*dr
52193
52194 alpha_e = zeta*zetb/(zeta + zetb)
52195
52196 DO rr1 = rr1_l, rr1_r
52197 s_r_t_0 = 0.0_dp
52198 s_r_t2_0 = 0.0_dp
52199 s_r_t_1 = 0.0_dp
52200 s_r_t2_1 = 0.0_dp
52201 s_r_t_2 = 0.0_dp
52202 s_r_t2_2 = 0.0_dp
52203 s_r_t_3 = 0.0_dp
52204 s_r_t2_3 = 0.0_dp
52205 s_r_t_4 = 0.0_dp
52206 s_r_t2_4 = 0.0_dp
52207 s_r_t_5 = 0.0_dp
52208 s_r_t2_5 = 0.0_dp
52209 s_r_t_6 = 0.0_dp
52210 s_r_t2_6 = 0.0_dp
52211 s_r_t_7 = 0.0_dp
52212 s_r_t2_7 = 0.0_dp
52213 s_r_t_8 = 0.0_dp
52214 s_r_t2_8 = 0.0_dp
52215 s_r_t_9 = 0.0_dp
52216 s_r_t2_9 = 0.0_dp
52217 s_r_t_10 = 0.0_dp
52218 s_r_t2_10 = 0.0_dp
52219 s_r_t_11 = 0.0_dp
52220 s_r_t2_11 = 0.0_dp
52221 r_tmp = r_offset + r1*zeta/(zeta + zetb)
52222 rr2_delta = -r_tmp/dr
52223
52224 rr2_l = ceiling(-r_c(2) + rr2_delta)
52225 rr2_r = floor(r_c(2) + rr2_delta)
52226
52227 r = r_tmp + (rr2_l)*dr
52228
52229
52230 DO rr2 = rr2_l, rr2_r
52231 r_pow_t = 1.0_dp
52232 exp2_rsq = exp(-alpha*r*r)
52233 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
52234 r_pow_t = r_pow_t*r
52235 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
52236 r_pow_t = r_pow_t*r
52237 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
52238 r_pow_t = r_pow_t*r
52239 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
52240 r_pow_t = r_pow_t*r
52241 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
52242 r_pow_t = r_pow_t*r
52243 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
52244 r_pow_t = r_pow_t*r
52245 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
52246 r_pow_t = r_pow_t*r
52247 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
52248 r_pow_t = r_pow_t*r
52249 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
52250 r_pow_t = r_pow_t*r
52251 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
52252 r_pow_t = r_pow_t*r
52253 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
52254 r_pow_t = r_pow_t*r
52255 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
52256
52257 r = r + dr
52258 END DO
52259
52260 ! C --> H
52261 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
52262 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
52263 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
52264 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
52265 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
52266 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
52267 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
52268 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
52269 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
52270 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
52271 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
52272 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
52273 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
52274 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
52275 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
52276 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
52277 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
52278 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
52279 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
52280 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
52281 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
52282 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
52283 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
52284 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
52285 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
52286 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
52287 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
52288 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
52289 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
52290 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
52291 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
52292 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
52293 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
52294 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
52295 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
52296 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
52297 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
52298 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
52299 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
52300 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
52301 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
52302 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
52303 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
52304 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
52305 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
52306 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
52307 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
52308 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
52309 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
52310 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
52311 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
52312 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
52313 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
52314 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
52315 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
52316 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
52317 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
52318 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
52319 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
52320 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
52321 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
52322 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
52323 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
52324 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
52325 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
52326 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
52327 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
52328 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
52329 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
52330 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
52331 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
52332 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
52333 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
52334 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
52335 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
52336 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
52337 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
52338 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
52339
52340 ! H --> HH
52341 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
52342
52343 c1 = 1.0_dp/(zeta + zetb)
52344 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
52345 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
52346
52347 e_0_1_0 = zeta*( &
52348 +c2*e_0_0_0&
52349
52350 )
52351 e_0_0_1 = zetb*( &
52352 +c3*e_0_0_0&
52353
52354 )
52355 e_1_1_0 = zeta*( c1*e_0_0_0 &
52356
52357
52358 )
52359 e_1_0_1 = zetb*( c1*e_0_0_0 &
52360
52361
52362 )
52363 e_0_2_0 = zeta*( &
52364 +c2*e_0_1_0&
52365 +2*e_1_1_0 &
52366 -2*e_0_0_0)
52367 e_0_1_1 = zetb*( &
52368 +c3*e_0_1_0&
52369 +2*e_1_1_0 &
52370 )
52371 e_1_2_0 = zeta*( c1*e_0_1_0 &
52372 +c2*e_1_1_0&
52373
52374 )
52375 e_1_1_1 = zetb*( c1*e_0_1_0 &
52376 +c3*e_1_1_0&
52377
52378 )
52379 e_2_2_0 = zeta*( c1*e_1_1_0 &
52380
52381
52382 )
52383 e_2_1_1 = zetb*( c1*e_1_1_0 &
52384
52385
52386 )
52387 e_0_3_0 = zeta*( &
52388 +c2*e_0_2_0&
52389 +2*e_1_2_0 &
52390 -4*e_0_1_0)
52391 e_0_2_1 = zetb*( &
52392 +c3*e_0_2_0&
52393 +2*e_1_2_0 &
52394 )
52395 e_1_3_0 = zeta*( c1*e_0_2_0 &
52396 +c2*e_1_2_0&
52397 +4*e_2_2_0 &
52398 -4*e_1_1_0)
52399 e_1_2_1 = zetb*( c1*e_0_2_0 &
52400 +c3*e_1_2_0&
52401 +4*e_2_2_0 &
52402 )
52403 e_2_3_0 = zeta*( c1*e_1_2_0 &
52404 +c2*e_2_2_0&
52405
52406 )
52407 e_2_2_1 = zetb*( c1*e_1_2_0 &
52408 +c3*e_2_2_0&
52409
52410 )
52411 e_3_3_0 = zeta*( c1*e_2_2_0 &
52412
52413
52414 )
52415 e_3_2_1 = zetb*( c1*e_2_2_0 &
52416
52417
52418 )
52419 e_0_4_0 = zeta*( &
52420 +c2*e_0_3_0&
52421 +2*e_1_3_0 &
52422 -6*e_0_2_0)
52423 e_0_3_1 = zetb*( &
52424 +c3*e_0_3_0&
52425 +2*e_1_3_0 &
52426 )
52427 e_1_4_0 = zeta*( c1*e_0_3_0 &
52428 +c2*e_1_3_0&
52429 +4*e_2_3_0 &
52430 -6*e_1_2_0)
52431 e_1_3_1 = zetb*( c1*e_0_3_0 &
52432 +c3*e_1_3_0&
52433 +4*e_2_3_0 &
52434 )
52435 e_2_4_0 = zeta*( c1*e_1_3_0 &
52436 +c2*e_2_3_0&
52437 +6*e_3_3_0 &
52438 -6*e_2_2_0)
52439 e_2_3_1 = zetb*( c1*e_1_3_0 &
52440 +c3*e_2_3_0&
52441 +6*e_3_3_0 &
52442 )
52443 e_3_4_0 = zeta*( c1*e_2_3_0 &
52444 +c2*e_3_3_0&
52445
52446 )
52447 e_3_3_1 = zetb*( c1*e_2_3_0 &
52448 +c3*e_3_3_0&
52449
52450 )
52451 e_4_4_0 = zeta*( c1*e_3_3_0 &
52452
52453
52454 )
52455 e_4_3_1 = zetb*( c1*e_3_3_0 &
52456
52457
52458 )
52459 e_0_4_1 = zetb*( &
52460 +c3*e_0_4_0&
52461 +2*e_1_4_0 &
52462 )
52463 e_1_4_1 = zetb*( c1*e_0_4_0 &
52464 +c3*e_1_4_0&
52465 +4*e_2_4_0 &
52466 )
52467 e_2_4_1 = zetb*( c1*e_1_4_0 &
52468 +c3*e_2_4_0&
52469 +6*e_3_4_0 &
52470 )
52471 e_3_4_1 = zetb*( c1*e_2_4_0 &
52472 +c3*e_3_4_0&
52473 +8*e_4_4_0 &
52474 )
52475 e_4_4_1 = zetb*( c1*e_3_4_0 &
52476 +c3*e_4_4_0&
52477
52478 )
52479 e_5_4_1 = zetb*( c1*e_4_4_0 &
52480
52481
52482 )
52483 e_0_1_1 = zeta*( &
52484 +c2*e_0_0_1&
52485 +2*e_1_0_1 &
52486 )
52487 e_0_0_2 = zetb*( &
52488 +c3*e_0_0_1&
52489 +2*e_1_0_1 &
52490 -2*e_0_0_0)
52491 e_1_1_1 = zeta*( c1*e_0_0_1 &
52492 +c2*e_1_0_1&
52493
52494 )
52495 e_1_0_2 = zetb*( c1*e_0_0_1 &
52496 +c3*e_1_0_1&
52497
52498 )
52499 e_2_1_1 = zeta*( c1*e_1_0_1 &
52500
52501
52502 )
52503 e_2_0_2 = zetb*( c1*e_1_0_1 &
52504
52505
52506 )
52507 e_0_2_1 = zeta*( &
52508 +c2*e_0_1_1&
52509 +2*e_1_1_1 &
52510 -2*e_0_0_1)
52511 e_0_1_2 = zetb*( &
52512 +c3*e_0_1_1&
52513 +2*e_1_1_1 &
52514 -2*e_0_1_0)
52515 e_1_2_1 = zeta*( c1*e_0_1_1 &
52516 +c2*e_1_1_1&
52517 +4*e_2_1_1 &
52518 -2*e_1_0_1)
52519 e_1_1_2 = zetb*( c1*e_0_1_1 &
52520 +c3*e_1_1_1&
52521 +4*e_2_1_1 &
52522 -2*e_1_1_0)
52523 e_2_2_1 = zeta*( c1*e_1_1_1 &
52524 +c2*e_2_1_1&
52525
52526 )
52527 e_2_1_2 = zetb*( c1*e_1_1_1 &
52528 +c3*e_2_1_1&
52529
52530 )
52531 e_3_2_1 = zeta*( c1*e_2_1_1 &
52532
52533
52534 )
52535 e_3_1_2 = zetb*( c1*e_2_1_1 &
52536
52537
52538 )
52539 e_0_3_1 = zeta*( &
52540 +c2*e_0_2_1&
52541 +2*e_1_2_1 &
52542 -4*e_0_1_1)
52543 e_0_2_2 = zetb*( &
52544 +c3*e_0_2_1&
52545 +2*e_1_2_1 &
52546 -2*e_0_2_0)
52547 e_1_3_1 = zeta*( c1*e_0_2_1 &
52548 +c2*e_1_2_1&
52549 +4*e_2_2_1 &
52550 -4*e_1_1_1)
52551 e_1_2_2 = zetb*( c1*e_0_2_1 &
52552 +c3*e_1_2_1&
52553 +4*e_2_2_1 &
52554 -2*e_1_2_0)
52555 e_2_3_1 = zeta*( c1*e_1_2_1 &
52556 +c2*e_2_2_1&
52557 +6*e_3_2_1 &
52558 -4*e_2_1_1)
52559 e_2_2_2 = zetb*( c1*e_1_2_1 &
52560 +c3*e_2_2_1&
52561 +6*e_3_2_1 &
52562 -2*e_2_2_0)
52563 e_3_3_1 = zeta*( c1*e_2_2_1 &
52564 +c2*e_3_2_1&
52565
52566 )
52567 e_3_2_2 = zetb*( c1*e_2_2_1 &
52568 +c3*e_3_2_1&
52569
52570 )
52571 e_4_3_1 = zeta*( c1*e_3_2_1 &
52572
52573
52574 )
52575 e_4_2_2 = zetb*( c1*e_3_2_1 &
52576
52577
52578 )
52579 e_0_4_1 = zeta*( &
52580 +c2*e_0_3_1&
52581 +2*e_1_3_1 &
52582 -6*e_0_2_1)
52583 e_0_3_2 = zetb*( &
52584 +c3*e_0_3_1&
52585 +2*e_1_3_1 &
52586 -2*e_0_3_0)
52587 e_1_4_1 = zeta*( c1*e_0_3_1 &
52588 +c2*e_1_3_1&
52589 +4*e_2_3_1 &
52590 -6*e_1_2_1)
52591 e_1_3_2 = zetb*( c1*e_0_3_1 &
52592 +c3*e_1_3_1&
52593 +4*e_2_3_1 &
52594 -2*e_1_3_0)
52595 e_2_4_1 = zeta*( c1*e_1_3_1 &
52596 +c2*e_2_3_1&
52597 +6*e_3_3_1 &
52598 -6*e_2_2_1)
52599 e_2_3_2 = zetb*( c1*e_1_3_1 &
52600 +c3*e_2_3_1&
52601 +6*e_3_3_1 &
52602 -2*e_2_3_0)
52603 e_3_4_1 = zeta*( c1*e_2_3_1 &
52604 +c2*e_3_3_1&
52605 +8*e_4_3_1 &
52606 -6*e_3_2_1)
52607 e_3_3_2 = zetb*( c1*e_2_3_1 &
52608 +c3*e_3_3_1&
52609 +8*e_4_3_1 &
52610 -2*e_3_3_0)
52611 e_4_4_1 = zeta*( c1*e_3_3_1 &
52612 +c2*e_4_3_1&
52613
52614 )
52615 e_4_3_2 = zetb*( c1*e_3_3_1 &
52616 +c3*e_4_3_1&
52617
52618 )
52619 e_5_4_1 = zeta*( c1*e_4_3_1 &
52620
52621
52622 )
52623 e_5_3_2 = zetb*( c1*e_4_3_1 &
52624
52625
52626 )
52627 e_0_4_2 = zetb*( &
52628 +c3*e_0_4_1&
52629 +2*e_1_4_1 &
52630 -2*e_0_4_0)
52631 e_1_4_2 = zetb*( c1*e_0_4_1 &
52632 +c3*e_1_4_1&
52633 +4*e_2_4_1 &
52634 -2*e_1_4_0)
52635 e_2_4_2 = zetb*( c1*e_1_4_1 &
52636 +c3*e_2_4_1&
52637 +6*e_3_4_1 &
52638 -2*e_2_4_0)
52639 e_3_4_2 = zetb*( c1*e_2_4_1 &
52640 +c3*e_3_4_1&
52641 +8*e_4_4_1 &
52642 -2*e_3_4_0)
52643 e_4_4_2 = zetb*( c1*e_3_4_1 &
52644 +c3*e_4_4_1&
52645 +10*e_5_4_1 &
52646 -2*e_4_4_0)
52647 e_5_4_2 = zetb*( c1*e_4_4_1 &
52648 +c3*e_5_4_1&
52649
52650 )
52651 e_6_4_2 = zetb*( c1*e_5_4_1 &
52652
52653
52654 )
52655 e_0_1_2 = zeta*( &
52656 +c2*e_0_0_2&
52657 +2*e_1_0_2 &
52658 )
52659 e_0_0_3 = zetb*( &
52660 +c3*e_0_0_2&
52661 +2*e_1_0_2 &
52662 -4*e_0_0_1)
52663 e_1_1_2 = zeta*( c1*e_0_0_2 &
52664 +c2*e_1_0_2&
52665 +4*e_2_0_2 &
52666 )
52667 e_1_0_3 = zetb*( c1*e_0_0_2 &
52668 +c3*e_1_0_2&
52669 +4*e_2_0_2 &
52670 -4*e_1_0_1)
52671 e_2_1_2 = zeta*( c1*e_1_0_2 &
52672 +c2*e_2_0_2&
52673
52674 )
52675 e_2_0_3 = zetb*( c1*e_1_0_2 &
52676 +c3*e_2_0_2&
52677
52678 )
52679 e_3_1_2 = zeta*( c1*e_2_0_2 &
52680
52681
52682 )
52683 e_3_0_3 = zetb*( c1*e_2_0_2 &
52684
52685
52686 )
52687 e_0_2_2 = zeta*( &
52688 +c2*e_0_1_2&
52689 +2*e_1_1_2 &
52690 -2*e_0_0_2)
52691 e_0_1_3 = zetb*( &
52692 +c3*e_0_1_2&
52693 +2*e_1_1_2 &
52694 -4*e_0_1_1)
52695 e_1_2_2 = zeta*( c1*e_0_1_2 &
52696 +c2*e_1_1_2&
52697 +4*e_2_1_2 &
52698 -2*e_1_0_2)
52699 e_1_1_3 = zetb*( c1*e_0_1_2 &
52700 +c3*e_1_1_2&
52701 +4*e_2_1_2 &
52702 -4*e_1_1_1)
52703 e_2_2_2 = zeta*( c1*e_1_1_2 &
52704 +c2*e_2_1_2&
52705 +6*e_3_1_2 &
52706 -2*e_2_0_2)
52707 e_2_1_3 = zetb*( c1*e_1_1_2 &
52708 +c3*e_2_1_2&
52709 +6*e_3_1_2 &
52710 -4*e_2_1_1)
52711 e_3_2_2 = zeta*( c1*e_2_1_2 &
52712 +c2*e_3_1_2&
52713
52714 )
52715 e_3_1_3 = zetb*( c1*e_2_1_2 &
52716 +c3*e_3_1_2&
52717
52718 )
52719 e_4_2_2 = zeta*( c1*e_3_1_2 &
52720
52721
52722 )
52723 e_4_1_3 = zetb*( c1*e_3_1_2 &
52724
52725
52726 )
52727 e_0_3_2 = zeta*( &
52728 +c2*e_0_2_2&
52729 +2*e_1_2_2 &
52730 -4*e_0_1_2)
52731 e_0_2_3 = zetb*( &
52732 +c3*e_0_2_2&
52733 +2*e_1_2_2 &
52734 -4*e_0_2_1)
52735 e_1_3_2 = zeta*( c1*e_0_2_2 &
52736 +c2*e_1_2_2&
52737 +4*e_2_2_2 &
52738 -4*e_1_1_2)
52739 e_1_2_3 = zetb*( c1*e_0_2_2 &
52740 +c3*e_1_2_2&
52741 +4*e_2_2_2 &
52742 -4*e_1_2_1)
52743 e_2_3_2 = zeta*( c1*e_1_2_2 &
52744 +c2*e_2_2_2&
52745 +6*e_3_2_2 &
52746 -4*e_2_1_2)
52747 e_2_2_3 = zetb*( c1*e_1_2_2 &
52748 +c3*e_2_2_2&
52749 +6*e_3_2_2 &
52750 -4*e_2_2_1)
52751 e_3_3_2 = zeta*( c1*e_2_2_2 &
52752 +c2*e_3_2_2&
52753 +8*e_4_2_2 &
52754 -4*e_3_1_2)
52755 e_3_2_3 = zetb*( c1*e_2_2_2 &
52756 +c3*e_3_2_2&
52757 +8*e_4_2_2 &
52758 -4*e_3_2_1)
52759 e_4_3_2 = zeta*( c1*e_3_2_2 &
52760 +c2*e_4_2_2&
52761
52762 )
52763 e_4_2_3 = zetb*( c1*e_3_2_2 &
52764 +c3*e_4_2_2&
52765
52766 )
52767 e_5_3_2 = zeta*( c1*e_4_2_2 &
52768
52769
52770 )
52771 e_5_2_3 = zetb*( c1*e_4_2_2 &
52772
52773
52774 )
52775 e_0_4_2 = zeta*( &
52776 +c2*e_0_3_2&
52777 +2*e_1_3_2 &
52778 -6*e_0_2_2)
52779 e_0_3_3 = zetb*( &
52780 +c3*e_0_3_2&
52781 +2*e_1_3_2 &
52782 -4*e_0_3_1)
52783 e_1_4_2 = zeta*( c1*e_0_3_2 &
52784 +c2*e_1_3_2&
52785 +4*e_2_3_2 &
52786 -6*e_1_2_2)
52787 e_1_3_3 = zetb*( c1*e_0_3_2 &
52788 +c3*e_1_3_2&
52789 +4*e_2_3_2 &
52790 -4*e_1_3_1)
52791 e_2_4_2 = zeta*( c1*e_1_3_2 &
52792 +c2*e_2_3_2&
52793 +6*e_3_3_2 &
52794 -6*e_2_2_2)
52795 e_2_3_3 = zetb*( c1*e_1_3_2 &
52796 +c3*e_2_3_2&
52797 +6*e_3_3_2 &
52798 -4*e_2_3_1)
52799 e_3_4_2 = zeta*( c1*e_2_3_2 &
52800 +c2*e_3_3_2&
52801 +8*e_4_3_2 &
52802 -6*e_3_2_2)
52803 e_3_3_3 = zetb*( c1*e_2_3_2 &
52804 +c3*e_3_3_2&
52805 +8*e_4_3_2 &
52806 -4*e_3_3_1)
52807 e_4_4_2 = zeta*( c1*e_3_3_2 &
52808 +c2*e_4_3_2&
52809 +10*e_5_3_2 &
52810 -6*e_4_2_2)
52811 e_4_3_3 = zetb*( c1*e_3_3_2 &
52812 +c3*e_4_3_2&
52813 +10*e_5_3_2 &
52814 -4*e_4_3_1)
52815 e_5_4_2 = zeta*( c1*e_4_3_2 &
52816 +c2*e_5_3_2&
52817
52818 )
52819 e_5_3_3 = zetb*( c1*e_4_3_2 &
52820 +c3*e_5_3_2&
52821
52822 )
52823 e_6_4_2 = zeta*( c1*e_5_3_2 &
52824
52825
52826 )
52827 e_6_3_3 = zetb*( c1*e_5_3_2 &
52828
52829
52830 )
52831 e_0_4_3 = zetb*( &
52832 +c3*e_0_4_2&
52833 +2*e_1_4_2 &
52834 -4*e_0_4_1)
52835 e_1_4_3 = zetb*( c1*e_0_4_2 &
52836 +c3*e_1_4_2&
52837 +4*e_2_4_2 &
52838 -4*e_1_4_1)
52839 e_2_4_3 = zetb*( c1*e_1_4_2 &
52840 +c3*e_2_4_2&
52841 +6*e_3_4_2 &
52842 -4*e_2_4_1)
52843 e_3_4_3 = zetb*( c1*e_2_4_2 &
52844 +c3*e_3_4_2&
52845 +8*e_4_4_2 &
52846 -4*e_3_4_1)
52847 e_4_4_3 = zetb*( c1*e_3_4_2 &
52848 +c3*e_4_4_2&
52849 +10*e_5_4_2 &
52850 -4*e_4_4_1)
52851 e_5_4_3 = zetb*( c1*e_4_4_2 &
52852 +c3*e_5_4_2&
52853 +12*e_6_4_2 &
52854 -4*e_5_4_1)
52855 e_6_4_3 = zetb*( c1*e_5_4_2 &
52856 +c3*e_6_4_2&
52857
52858 )
52859 e_7_4_3 = zetb*( c1*e_6_4_2 &
52860
52861
52862 )
52863 e_0_1_3 = zeta*( &
52864 +c2*e_0_0_3&
52865 +2*e_1_0_3 &
52866 )
52867 e_1_1_3 = zeta*( c1*e_0_0_3 &
52868 +c2*e_1_0_3&
52869 +4*e_2_0_3 &
52870 )
52871 e_2_1_3 = zeta*( c1*e_1_0_3 &
52872 +c2*e_2_0_3&
52873 +6*e_3_0_3 &
52874 )
52875 e_3_1_3 = zeta*( c1*e_2_0_3 &
52876 +c2*e_3_0_3&
52877
52878 )
52879 e_4_1_3 = zeta*( c1*e_3_0_3 &
52880
52881
52882 )
52883 e_0_2_3 = zeta*( &
52884 +c2*e_0_1_3&
52885 +2*e_1_1_3 &
52886 -2*e_0_0_3)
52887 e_1_2_3 = zeta*( c1*e_0_1_3 &
52888 +c2*e_1_1_3&
52889 +4*e_2_1_3 &
52890 -2*e_1_0_3)
52891 e_2_2_3 = zeta*( c1*e_1_1_3 &
52892 +c2*e_2_1_3&
52893 +6*e_3_1_3 &
52894 -2*e_2_0_3)
52895 e_3_2_3 = zeta*( c1*e_2_1_3 &
52896 +c2*e_3_1_3&
52897 +8*e_4_1_3 &
52898 -2*e_3_0_3)
52899 e_4_2_3 = zeta*( c1*e_3_1_3 &
52900 +c2*e_4_1_3&
52901
52902 )
52903 e_5_2_3 = zeta*( c1*e_4_1_3 &
52904
52905
52906 )
52907 e_0_3_3 = zeta*( &
52908 +c2*e_0_2_3&
52909 +2*e_1_2_3 &
52910 -4*e_0_1_3)
52911 e_1_3_3 = zeta*( c1*e_0_2_3 &
52912 +c2*e_1_2_3&
52913 +4*e_2_2_3 &
52914 -4*e_1_1_3)
52915 e_2_3_3 = zeta*( c1*e_1_2_3 &
52916 +c2*e_2_2_3&
52917 +6*e_3_2_3 &
52918 -4*e_2_1_3)
52919 e_3_3_3 = zeta*( c1*e_2_2_3 &
52920 +c2*e_3_2_3&
52921 +8*e_4_2_3 &
52922 -4*e_3_1_3)
52923 e_4_3_3 = zeta*( c1*e_3_2_3 &
52924 +c2*e_4_2_3&
52925 +10*e_5_2_3 &
52926 -4*e_4_1_3)
52927 e_5_3_3 = zeta*( c1*e_4_2_3 &
52928 +c2*e_5_2_3&
52929
52930 )
52931 e_6_3_3 = zeta*( c1*e_5_2_3 &
52932
52933
52934 )
52935 e_0_4_3 = zeta*( &
52936 +c2*e_0_3_3&
52937 +2*e_1_3_3 &
52938 -6*e_0_2_3)
52939 e_1_4_3 = zeta*( c1*e_0_3_3 &
52940 +c2*e_1_3_3&
52941 +4*e_2_3_3 &
52942 -6*e_1_2_3)
52943 e_2_4_3 = zeta*( c1*e_1_3_3 &
52944 +c2*e_2_3_3&
52945 +6*e_3_3_3 &
52946 -6*e_2_2_3)
52947 e_3_4_3 = zeta*( c1*e_2_3_3 &
52948 +c2*e_3_3_3&
52949 +8*e_4_3_3 &
52950 -6*e_3_2_3)
52951 e_4_4_3 = zeta*( c1*e_3_3_3 &
52952 +c2*e_4_3_3&
52953 +10*e_5_3_3 &
52954 -6*e_4_2_3)
52955 e_5_4_3 = zeta*( c1*e_4_3_3 &
52956 +c2*e_5_3_3&
52957 +12*e_6_3_3 &
52958 -6*e_5_2_3)
52959 e_6_4_3 = zeta*( c1*e_5_3_3 &
52960 +c2*e_6_3_3&
52961
52962 )
52963 e_7_4_3 = zeta*( c1*e_6_3_3 &
52964
52965
52966 )
52967
52968 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
52969 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
52970 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
52971 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
52972 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
52973 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
52974 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
52975 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
52976 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
52977 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
52978 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
52979 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
52980 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
52981 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
52982 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
52983 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
52984 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
52985 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
52986 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
52987 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
52988 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
52989 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
52990 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
52991 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
52992 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
52993 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
52994 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
52995 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
52996 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
52997 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
52998 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
52999 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
53000 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
53001 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53002 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53003 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
53004 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
53005 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
53006 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
53007 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
53008 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
53009 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
53010 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
53011 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
53012 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
53013 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
53014 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53015 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
53016 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
53017 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
53018 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
53019 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53020 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53021 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
53022 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
53023 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
53024 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
53025 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53026 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53027 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53028 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
53029 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
53030 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
53031 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
53032 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
53033 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
53034 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
53035 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
53036 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53037 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
53038 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
53039 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
53040 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
53041 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53042 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53043 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
53044 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
53045 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
53046 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
53047 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53048 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53049 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53050 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
53051 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
53052 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
53053 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
53054 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53055 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53056 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53057 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53058 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
53059 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
53060 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
53061 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
53062 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
53063 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
53064 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
53065 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
53066 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
53067 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
53068 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
53069 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
53070 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
53071 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
53072 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
53073 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
53074 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
53075 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
53076 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
53077 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
53078 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
53079 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
53080 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
53081 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
53082 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
53083 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
53084 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
53085 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
53086 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
53087 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
53088 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
53089 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
53090 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
53091 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
53092 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
53093 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
53094 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
53095 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
53096 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
53097 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
53098 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
53099 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
53100 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
53101 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
53102 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
53103 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
53104 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
53105 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
53106 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
53107 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
53108 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
53109 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
53110 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
53111 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
53112 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
53113 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
53114 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
53115 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
53116 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
53117 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
53118 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
53119 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
53120 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
53121 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
53122 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
53123 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
53124 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
53125 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
53126 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
53127 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
53128 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
53129 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
53130 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
53131 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
53132 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
53133 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
53134 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
53135 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
53136 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
53137 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
53138 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
53139 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
53140 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
53141 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
53142 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
53143 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
53144 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
53145 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
53146 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
53147 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
53148 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
53149 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
53150 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
53151 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
53152 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
53153 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
53154 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
53155 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
53156 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
53157 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
53158 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
53159 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
53160 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
53161 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
53162 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
53163 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
53164 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
53165 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
53166 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
53167 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
53168 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
53169 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
53170 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
53171 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
53172 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
53173 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
53174 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
53175 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
53176 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
53177 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
53178 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
53179 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53180 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53181 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
53182 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
53183 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
53184 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
53185 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
53186 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
53187 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
53188 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
53189 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
53190 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
53191 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
53192 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53193 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
53194 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
53195 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
53196 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
53197 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53198 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53199 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
53200 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
53201 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
53202 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
53203 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53204 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53205 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53206 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
53207 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
53208 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
53209 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
53210 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
53211 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
53212 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
53213 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
53214 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53215 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
53216 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
53217 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
53218 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
53219 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53220 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53221 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
53222 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
53223 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
53224 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
53225 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53226 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53227 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53228 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
53229 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
53230 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
53231 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
53232 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53233 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53234 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53235 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53236 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
53237 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
53238 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
53239 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
53240 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
53241 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
53242 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
53243 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
53244 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
53245 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
53246 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
53247 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
53248 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
53249 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
53250 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
53251 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
53252 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
53253 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
53254 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
53255 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
53256 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
53257 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
53258 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
53259 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
53260 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
53261 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
53262 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
53263 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
53264 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
53265 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
53266 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
53267 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
53268 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
53269 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
53270 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
53271 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
53272 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
53273 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
53274 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
53275 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
53276 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
53277 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
53278 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
53279 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
53280 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
53281 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
53282 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
53283 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
53284 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
53285 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
53286 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
53287 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
53288 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
53289 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
53290 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
53291 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
53292 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
53293 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
53294 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
53295 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
53296 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
53297 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
53298 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
53299 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
53300 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
53301 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
53302 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
53303 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
53304 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
53305 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
53306 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
53307 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
53308 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
53309 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
53310 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
53311 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
53312 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
53313 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
53314 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
53315 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
53316 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
53317 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
53318 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
53319 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
53320 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
53321 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
53322 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
53323 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
53324 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
53325 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
53326 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
53327 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
53328 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
53329 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
53330 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
53331 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
53332 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
53333 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
53334 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
53335 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
53336 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
53337 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
53338 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
53339 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
53340 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
53341 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
53342 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
53343 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
53344 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
53345 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
53346 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
53347 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
53348 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
53349 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
53350 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
53351 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
53352 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
53353 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
53354 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
53355 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
53356 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
53357 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53358 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53359 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
53360 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
53361 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
53362 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
53363 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
53364 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
53365 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
53366 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
53367 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
53368 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
53369 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
53370 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53371 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
53372 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
53373 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
53374 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
53375 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53376 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53377 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
53378 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
53379 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
53380 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
53381 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53382 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53383 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53384 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
53385 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
53386 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
53387 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
53388 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
53389 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
53390 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
53391 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
53392 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53393 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
53394 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
53395 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
53396 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
53397 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53398 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53399 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
53400 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
53401 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
53402 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
53403 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53404 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53405 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53406 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
53407 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
53408 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
53409 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
53410 s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53411 s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53412 s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53413 s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53414 s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
53415 s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
53416 s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
53417 s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
53418 r1 = r1 + dr
53419 END DO
53420
53421 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
53422 END SUBROUTINE
53423 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_0_exp_0 ( &
53424 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
53425 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
53426 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
53427 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
53428 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
53429 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
53430 r_pow_t, r_tmp, rr1_delta, rr2_delta
53431
53432 REAL(kind=dp) :: c1, c2, c3
53433 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
53434 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
53435 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
53436 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
53437 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
53438 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
53439 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
53440 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
53441 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
53442 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
53443 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
53444 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
53445 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
53446 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
53447 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
53448 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
53449 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
53450
53451
53452 dr = lgth
53453 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
53454
53455 s_r(:, :, :) = 0.0_dp
53456
53457 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
53458
53459 h_to_c_0_0 = sqrt(alpha/pi)
53460
53461 h_to_c_0_1 = 0.0_dp
53462 h_to_c_1_1 = +2*alpha*h_to_c_0_0
53463 h_to_c_0_2 = -1*h_to_c_1_1
53464 h_to_c_1_2 = +2*alpha*h_to_c_0_1
53465 h_to_c_2_2 = +2*alpha*h_to_c_1_1
53466 h_to_c_0_3 = -1*h_to_c_1_2
53467 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
53468 h_to_c_2_3 = +2*alpha*h_to_c_1_2
53469 h_to_c_3_3 = +2*alpha*h_to_c_2_2
53470 h_to_c_0_4 = -1*h_to_c_1_3
53471 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
53472 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
53473 h_to_c_3_4 = +2*alpha*h_to_c_2_3
53474 h_to_c_4_4 = +2*alpha*h_to_c_3_3
53475 h_to_c_0_5 = -1*h_to_c_1_4
53476 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
53477 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
53478 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
53479 h_to_c_4_5 = +2*alpha*h_to_c_3_4
53480 h_to_c_5_5 = +2*alpha*h_to_c_4_4
53481 h_to_c_0_6 = -1*h_to_c_1_5
53482 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
53483 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
53484 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
53485 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
53486 h_to_c_5_6 = +2*alpha*h_to_c_4_5
53487 h_to_c_6_6 = +2*alpha*h_to_c_5_5
53488 h_to_c_0_7 = -1*h_to_c_1_6
53489 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
53490 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
53491 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
53492 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
53493 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
53494 h_to_c_6_7 = +2*alpha*h_to_c_5_6
53495 h_to_c_7_7 = +2*alpha*h_to_c_6_6
53496 h_to_c_0_8 = -1*h_to_c_1_7
53497 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
53498 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
53499 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
53500 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
53501 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
53502 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
53503 h_to_c_7_8 = +2*alpha*h_to_c_6_7
53504 h_to_c_8_8 = +2*alpha*h_to_c_7_7
53505
53506
53507 rr1_delta = (ra - rb)/dr
53508
53509 rr1_l = ceiling(-r_c(1) + rr1_delta)
53510 rr1_r = floor(r_c(1) + rr1_delta)
53511
53512 r1 = rr1_l*dr
53513
53514 alpha_e = zeta*zetb/(zeta + zetb)
53515
53516 DO rr1 = rr1_l, rr1_r
53517 s_r_t_0 = 0.0_dp
53518 s_r_t2_0 = 0.0_dp
53519 s_r_t_1 = 0.0_dp
53520 s_r_t2_1 = 0.0_dp
53521 s_r_t_2 = 0.0_dp
53522 s_r_t2_2 = 0.0_dp
53523 s_r_t_3 = 0.0_dp
53524 s_r_t2_3 = 0.0_dp
53525 s_r_t_4 = 0.0_dp
53526 s_r_t2_4 = 0.0_dp
53527 s_r_t_5 = 0.0_dp
53528 s_r_t2_5 = 0.0_dp
53529 s_r_t_6 = 0.0_dp
53530 s_r_t2_6 = 0.0_dp
53531 s_r_t_7 = 0.0_dp
53532 s_r_t2_7 = 0.0_dp
53533 s_r_t_8 = 0.0_dp
53534 s_r_t2_8 = 0.0_dp
53535 r_tmp = r_offset + r1*zeta/(zeta + zetb)
53536 rr2_delta = -r_tmp/dr
53537
53538 rr2_l = ceiling(-r_c(2) + rr2_delta)
53539 rr2_r = floor(r_c(2) + rr2_delta)
53540
53541 r = r_tmp + (rr2_l)*dr
53542
53543
53544 DO rr2 = rr2_l, rr2_r
53545 r_pow_t = 1.0_dp
53546 exp2_rsq = exp(-alpha*r*r)
53547 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
53548 r_pow_t = r_pow_t*r
53549 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
53550 r_pow_t = r_pow_t*r
53551 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
53552 r_pow_t = r_pow_t*r
53553 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
53554 r_pow_t = r_pow_t*r
53555 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
53556 r_pow_t = r_pow_t*r
53557 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
53558 r_pow_t = r_pow_t*r
53559 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
53560 r_pow_t = r_pow_t*r
53561 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
53562 r_pow_t = r_pow_t*r
53563 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
53564
53565 r = r + dr
53566 END DO
53567
53568 ! C --> H
53569 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
53570 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
53571 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
53572 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
53573 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
53574 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
53575 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
53576 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
53577 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
53578 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
53579 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
53580 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
53581 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
53582 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
53583 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
53584 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
53585 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
53586 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
53587 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
53588 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
53589 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
53590 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
53591 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
53592 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
53593 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
53594 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
53595 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
53596 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
53597 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
53598 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
53599 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
53600 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
53601 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
53602 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
53603 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
53604 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
53605 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
53606 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
53607 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
53608 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
53609 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
53610 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
53611 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
53612 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
53613 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
53614
53615 ! H --> HH
53616 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
53617
53618 c1 = 1.0_dp/(zeta + zetb)
53619 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
53620 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
53621
53622 e_0_1_0 = zeta*( &
53623 +c2*e_0_0_0&
53624
53625 )
53626 e_0_0_1 = zetb*( &
53627 +c3*e_0_0_0&
53628
53629 )
53630 e_1_1_0 = zeta*( c1*e_0_0_0 &
53631
53632
53633 )
53634 e_1_0_1 = zetb*( c1*e_0_0_0 &
53635
53636
53637 )
53638 e_0_2_0 = zeta*( &
53639 +c2*e_0_1_0&
53640 +2*e_1_1_0 &
53641 -2*e_0_0_0)
53642 e_0_1_1 = zetb*( &
53643 +c3*e_0_1_0&
53644 +2*e_1_1_0 &
53645 )
53646 e_1_2_0 = zeta*( c1*e_0_1_0 &
53647 +c2*e_1_1_0&
53648
53649 )
53650 e_1_1_1 = zetb*( c1*e_0_1_0 &
53651 +c3*e_1_1_0&
53652
53653 )
53654 e_2_2_0 = zeta*( c1*e_1_1_0 &
53655
53656
53657 )
53658 e_2_1_1 = zetb*( c1*e_1_1_0 &
53659
53660
53661 )
53662 e_0_3_0 = zeta*( &
53663 +c2*e_0_2_0&
53664 +2*e_1_2_0 &
53665 -4*e_0_1_0)
53666 e_0_2_1 = zetb*( &
53667 +c3*e_0_2_0&
53668 +2*e_1_2_0 &
53669 )
53670 e_1_3_0 = zeta*( c1*e_0_2_0 &
53671 +c2*e_1_2_0&
53672 +4*e_2_2_0 &
53673 -4*e_1_1_0)
53674 e_1_2_1 = zetb*( c1*e_0_2_0 &
53675 +c3*e_1_2_0&
53676 +4*e_2_2_0 &
53677 )
53678 e_2_3_0 = zeta*( c1*e_1_2_0 &
53679 +c2*e_2_2_0&
53680
53681 )
53682 e_2_2_1 = zetb*( c1*e_1_2_0 &
53683 +c3*e_2_2_0&
53684
53685 )
53686 e_3_3_0 = zeta*( c1*e_2_2_0 &
53687
53688
53689 )
53690 e_3_2_1 = zetb*( c1*e_2_2_0 &
53691
53692
53693 )
53694 e_0_4_0 = zeta*( &
53695 +c2*e_0_3_0&
53696 +2*e_1_3_0 &
53697 -6*e_0_2_0)
53698 e_0_3_1 = zetb*( &
53699 +c3*e_0_3_0&
53700 +2*e_1_3_0 &
53701 )
53702 e_1_4_0 = zeta*( c1*e_0_3_0 &
53703 +c2*e_1_3_0&
53704 +4*e_2_3_0 &
53705 -6*e_1_2_0)
53706 e_1_3_1 = zetb*( c1*e_0_3_0 &
53707 +c3*e_1_3_0&
53708 +4*e_2_3_0 &
53709 )
53710 e_2_4_0 = zeta*( c1*e_1_3_0 &
53711 +c2*e_2_3_0&
53712 +6*e_3_3_0 &
53713 -6*e_2_2_0)
53714 e_2_3_1 = zetb*( c1*e_1_3_0 &
53715 +c3*e_2_3_0&
53716 +6*e_3_3_0 &
53717 )
53718 e_3_4_0 = zeta*( c1*e_2_3_0 &
53719 +c2*e_3_3_0&
53720
53721 )
53722 e_3_3_1 = zetb*( c1*e_2_3_0 &
53723 +c3*e_3_3_0&
53724
53725 )
53726 e_4_4_0 = zeta*( c1*e_3_3_0 &
53727
53728
53729 )
53730 e_4_3_1 = zetb*( c1*e_3_3_0 &
53731
53732
53733 )
53734 e_0_4_1 = zetb*( &
53735 +c3*e_0_4_0&
53736 +2*e_1_4_0 &
53737 )
53738 e_1_4_1 = zetb*( c1*e_0_4_0 &
53739 +c3*e_1_4_0&
53740 +4*e_2_4_0 &
53741 )
53742 e_2_4_1 = zetb*( c1*e_1_4_0 &
53743 +c3*e_2_4_0&
53744 +6*e_3_4_0 &
53745 )
53746 e_3_4_1 = zetb*( c1*e_2_4_0 &
53747 +c3*e_3_4_0&
53748 +8*e_4_4_0 &
53749 )
53750 e_4_4_1 = zetb*( c1*e_3_4_0 &
53751 +c3*e_4_4_0&
53752
53753 )
53754 e_5_4_1 = zetb*( c1*e_4_4_0 &
53755
53756
53757 )
53758 e_0_1_1 = zeta*( &
53759 +c2*e_0_0_1&
53760 +2*e_1_0_1 &
53761 )
53762 e_0_0_2 = zetb*( &
53763 +c3*e_0_0_1&
53764 +2*e_1_0_1 &
53765 -2*e_0_0_0)
53766 e_1_1_1 = zeta*( c1*e_0_0_1 &
53767 +c2*e_1_0_1&
53768
53769 )
53770 e_1_0_2 = zetb*( c1*e_0_0_1 &
53771 +c3*e_1_0_1&
53772
53773 )
53774 e_2_1_1 = zeta*( c1*e_1_0_1 &
53775
53776
53777 )
53778 e_2_0_2 = zetb*( c1*e_1_0_1 &
53779
53780
53781 )
53782 e_0_2_1 = zeta*( &
53783 +c2*e_0_1_1&
53784 +2*e_1_1_1 &
53785 -2*e_0_0_1)
53786 e_0_1_2 = zetb*( &
53787 +c3*e_0_1_1&
53788 +2*e_1_1_1 &
53789 -2*e_0_1_0)
53790 e_1_2_1 = zeta*( c1*e_0_1_1 &
53791 +c2*e_1_1_1&
53792 +4*e_2_1_1 &
53793 -2*e_1_0_1)
53794 e_1_1_2 = zetb*( c1*e_0_1_1 &
53795 +c3*e_1_1_1&
53796 +4*e_2_1_1 &
53797 -2*e_1_1_0)
53798 e_2_2_1 = zeta*( c1*e_1_1_1 &
53799 +c2*e_2_1_1&
53800
53801 )
53802 e_2_1_2 = zetb*( c1*e_1_1_1 &
53803 +c3*e_2_1_1&
53804
53805 )
53806 e_3_2_1 = zeta*( c1*e_2_1_1 &
53807
53808
53809 )
53810 e_3_1_2 = zetb*( c1*e_2_1_1 &
53811
53812
53813 )
53814 e_0_3_1 = zeta*( &
53815 +c2*e_0_2_1&
53816 +2*e_1_2_1 &
53817 -4*e_0_1_1)
53818 e_0_2_2 = zetb*( &
53819 +c3*e_0_2_1&
53820 +2*e_1_2_1 &
53821 -2*e_0_2_0)
53822 e_1_3_1 = zeta*( c1*e_0_2_1 &
53823 +c2*e_1_2_1&
53824 +4*e_2_2_1 &
53825 -4*e_1_1_1)
53826 e_1_2_2 = zetb*( c1*e_0_2_1 &
53827 +c3*e_1_2_1&
53828 +4*e_2_2_1 &
53829 -2*e_1_2_0)
53830 e_2_3_1 = zeta*( c1*e_1_2_1 &
53831 +c2*e_2_2_1&
53832 +6*e_3_2_1 &
53833 -4*e_2_1_1)
53834 e_2_2_2 = zetb*( c1*e_1_2_1 &
53835 +c3*e_2_2_1&
53836 +6*e_3_2_1 &
53837 -2*e_2_2_0)
53838 e_3_3_1 = zeta*( c1*e_2_2_1 &
53839 +c2*e_3_2_1&
53840
53841 )
53842 e_3_2_2 = zetb*( c1*e_2_2_1 &
53843 +c3*e_3_2_1&
53844
53845 )
53846 e_4_3_1 = zeta*( c1*e_3_2_1 &
53847
53848
53849 )
53850 e_4_2_2 = zetb*( c1*e_3_2_1 &
53851
53852
53853 )
53854 e_0_4_1 = zeta*( &
53855 +c2*e_0_3_1&
53856 +2*e_1_3_1 &
53857 -6*e_0_2_1)
53858 e_0_3_2 = zetb*( &
53859 +c3*e_0_3_1&
53860 +2*e_1_3_1 &
53861 -2*e_0_3_0)
53862 e_1_4_1 = zeta*( c1*e_0_3_1 &
53863 +c2*e_1_3_1&
53864 +4*e_2_3_1 &
53865 -6*e_1_2_1)
53866 e_1_3_2 = zetb*( c1*e_0_3_1 &
53867 +c3*e_1_3_1&
53868 +4*e_2_3_1 &
53869 -2*e_1_3_0)
53870 e_2_4_1 = zeta*( c1*e_1_3_1 &
53871 +c2*e_2_3_1&
53872 +6*e_3_3_1 &
53873 -6*e_2_2_1)
53874 e_2_3_2 = zetb*( c1*e_1_3_1 &
53875 +c3*e_2_3_1&
53876 +6*e_3_3_1 &
53877 -2*e_2_3_0)
53878 e_3_4_1 = zeta*( c1*e_2_3_1 &
53879 +c2*e_3_3_1&
53880 +8*e_4_3_1 &
53881 -6*e_3_2_1)
53882 e_3_3_2 = zetb*( c1*e_2_3_1 &
53883 +c3*e_3_3_1&
53884 +8*e_4_3_1 &
53885 -2*e_3_3_0)
53886 e_4_4_1 = zeta*( c1*e_3_3_1 &
53887 +c2*e_4_3_1&
53888
53889 )
53890 e_4_3_2 = zetb*( c1*e_3_3_1 &
53891 +c3*e_4_3_1&
53892
53893 )
53894 e_5_4_1 = zeta*( c1*e_4_3_1 &
53895
53896
53897 )
53898 e_5_3_2 = zetb*( c1*e_4_3_1 &
53899
53900
53901 )
53902 e_0_4_2 = zetb*( &
53903 +c3*e_0_4_1&
53904 +2*e_1_4_1 &
53905 -2*e_0_4_0)
53906 e_1_4_2 = zetb*( c1*e_0_4_1 &
53907 +c3*e_1_4_1&
53908 +4*e_2_4_1 &
53909 -2*e_1_4_0)
53910 e_2_4_2 = zetb*( c1*e_1_4_1 &
53911 +c3*e_2_4_1&
53912 +6*e_3_4_1 &
53913 -2*e_2_4_0)
53914 e_3_4_2 = zetb*( c1*e_2_4_1 &
53915 +c3*e_3_4_1&
53916 +8*e_4_4_1 &
53917 -2*e_3_4_0)
53918 e_4_4_2 = zetb*( c1*e_3_4_1 &
53919 +c3*e_4_4_1&
53920 +10*e_5_4_1 &
53921 -2*e_4_4_0)
53922 e_5_4_2 = zetb*( c1*e_4_4_1 &
53923 +c3*e_5_4_1&
53924
53925 )
53926 e_6_4_2 = zetb*( c1*e_5_4_1 &
53927
53928
53929 )
53930 e_0_1_2 = zeta*( &
53931 +c2*e_0_0_2&
53932 +2*e_1_0_2 &
53933 )
53934 e_0_0_3 = zetb*( &
53935 +c3*e_0_0_2&
53936 +2*e_1_0_2 &
53937 -4*e_0_0_1)
53938 e_1_1_2 = zeta*( c1*e_0_0_2 &
53939 +c2*e_1_0_2&
53940 +4*e_2_0_2 &
53941 )
53942 e_1_0_3 = zetb*( c1*e_0_0_2 &
53943 +c3*e_1_0_2&
53944 +4*e_2_0_2 &
53945 -4*e_1_0_1)
53946 e_2_1_2 = zeta*( c1*e_1_0_2 &
53947 +c2*e_2_0_2&
53948
53949 )
53950 e_2_0_3 = zetb*( c1*e_1_0_2 &
53951 +c3*e_2_0_2&
53952
53953 )
53954 e_3_1_2 = zeta*( c1*e_2_0_2 &
53955
53956
53957 )
53958 e_3_0_3 = zetb*( c1*e_2_0_2 &
53959
53960
53961 )
53962 e_0_2_2 = zeta*( &
53963 +c2*e_0_1_2&
53964 +2*e_1_1_2 &
53965 -2*e_0_0_2)
53966 e_0_1_3 = zetb*( &
53967 +c3*e_0_1_2&
53968 +2*e_1_1_2 &
53969 -4*e_0_1_1)
53970 e_1_2_2 = zeta*( c1*e_0_1_2 &
53971 +c2*e_1_1_2&
53972 +4*e_2_1_2 &
53973 -2*e_1_0_2)
53974 e_1_1_3 = zetb*( c1*e_0_1_2 &
53975 +c3*e_1_1_2&
53976 +4*e_2_1_2 &
53977 -4*e_1_1_1)
53978 e_2_2_2 = zeta*( c1*e_1_1_2 &
53979 +c2*e_2_1_2&
53980 +6*e_3_1_2 &
53981 -2*e_2_0_2)
53982 e_2_1_3 = zetb*( c1*e_1_1_2 &
53983 +c3*e_2_1_2&
53984 +6*e_3_1_2 &
53985 -4*e_2_1_1)
53986 e_3_2_2 = zeta*( c1*e_2_1_2 &
53987 +c2*e_3_1_2&
53988
53989 )
53990 e_3_1_3 = zetb*( c1*e_2_1_2 &
53991 +c3*e_3_1_2&
53992
53993 )
53994 e_4_2_2 = zeta*( c1*e_3_1_2 &
53995
53996
53997 )
53998 e_4_1_3 = zetb*( c1*e_3_1_2 &
53999
54000
54001 )
54002 e_0_3_2 = zeta*( &
54003 +c2*e_0_2_2&
54004 +2*e_1_2_2 &
54005 -4*e_0_1_2)
54006 e_0_2_3 = zetb*( &
54007 +c3*e_0_2_2&
54008 +2*e_1_2_2 &
54009 -4*e_0_2_1)
54010 e_1_3_2 = zeta*( c1*e_0_2_2 &
54011 +c2*e_1_2_2&
54012 +4*e_2_2_2 &
54013 -4*e_1_1_2)
54014 e_1_2_3 = zetb*( c1*e_0_2_2 &
54015 +c3*e_1_2_2&
54016 +4*e_2_2_2 &
54017 -4*e_1_2_1)
54018 e_2_3_2 = zeta*( c1*e_1_2_2 &
54019 +c2*e_2_2_2&
54020 +6*e_3_2_2 &
54021 -4*e_2_1_2)
54022 e_2_2_3 = zetb*( c1*e_1_2_2 &
54023 +c3*e_2_2_2&
54024 +6*e_3_2_2 &
54025 -4*e_2_2_1)
54026 e_3_3_2 = zeta*( c1*e_2_2_2 &
54027 +c2*e_3_2_2&
54028 +8*e_4_2_2 &
54029 -4*e_3_1_2)
54030 e_3_2_3 = zetb*( c1*e_2_2_2 &
54031 +c3*e_3_2_2&
54032 +8*e_4_2_2 &
54033 -4*e_3_2_1)
54034 e_4_3_2 = zeta*( c1*e_3_2_2 &
54035 +c2*e_4_2_2&
54036
54037 )
54038 e_4_2_3 = zetb*( c1*e_3_2_2 &
54039 +c3*e_4_2_2&
54040
54041 )
54042 e_5_3_2 = zeta*( c1*e_4_2_2 &
54043
54044
54045 )
54046 e_5_2_3 = zetb*( c1*e_4_2_2 &
54047
54048
54049 )
54050 e_0_4_2 = zeta*( &
54051 +c2*e_0_3_2&
54052 +2*e_1_3_2 &
54053 -6*e_0_2_2)
54054 e_0_3_3 = zetb*( &
54055 +c3*e_0_3_2&
54056 +2*e_1_3_2 &
54057 -4*e_0_3_1)
54058 e_1_4_2 = zeta*( c1*e_0_3_2 &
54059 +c2*e_1_3_2&
54060 +4*e_2_3_2 &
54061 -6*e_1_2_2)
54062 e_1_3_3 = zetb*( c1*e_0_3_2 &
54063 +c3*e_1_3_2&
54064 +4*e_2_3_2 &
54065 -4*e_1_3_1)
54066 e_2_4_2 = zeta*( c1*e_1_3_2 &
54067 +c2*e_2_3_2&
54068 +6*e_3_3_2 &
54069 -6*e_2_2_2)
54070 e_2_3_3 = zetb*( c1*e_1_3_2 &
54071 +c3*e_2_3_2&
54072 +6*e_3_3_2 &
54073 -4*e_2_3_1)
54074 e_3_4_2 = zeta*( c1*e_2_3_2 &
54075 +c2*e_3_3_2&
54076 +8*e_4_3_2 &
54077 -6*e_3_2_2)
54078 e_3_3_3 = zetb*( c1*e_2_3_2 &
54079 +c3*e_3_3_2&
54080 +8*e_4_3_2 &
54081 -4*e_3_3_1)
54082 e_4_4_2 = zeta*( c1*e_3_3_2 &
54083 +c2*e_4_3_2&
54084 +10*e_5_3_2 &
54085 -6*e_4_2_2)
54086 e_4_3_3 = zetb*( c1*e_3_3_2 &
54087 +c3*e_4_3_2&
54088 +10*e_5_3_2 &
54089 -4*e_4_3_1)
54090 e_5_4_2 = zeta*( c1*e_4_3_2 &
54091 +c2*e_5_3_2&
54092
54093 )
54094 e_5_3_3 = zetb*( c1*e_4_3_2 &
54095 +c3*e_5_3_2&
54096
54097 )
54098 e_6_4_2 = zeta*( c1*e_5_3_2 &
54099
54100
54101 )
54102 e_6_3_3 = zetb*( c1*e_5_3_2 &
54103
54104
54105 )
54106 e_0_4_3 = zetb*( &
54107 +c3*e_0_4_2&
54108 +2*e_1_4_2 &
54109 -4*e_0_4_1)
54110 e_1_4_3 = zetb*( c1*e_0_4_2 &
54111 +c3*e_1_4_2&
54112 +4*e_2_4_2 &
54113 -4*e_1_4_1)
54114 e_2_4_3 = zetb*( c1*e_1_4_2 &
54115 +c3*e_2_4_2&
54116 +6*e_3_4_2 &
54117 -4*e_2_4_1)
54118 e_3_4_3 = zetb*( c1*e_2_4_2 &
54119 +c3*e_3_4_2&
54120 +8*e_4_4_2 &
54121 -4*e_3_4_1)
54122 e_4_4_3 = zetb*( c1*e_3_4_2 &
54123 +c3*e_4_4_2&
54124 +10*e_5_4_2 &
54125 -4*e_4_4_1)
54126 e_5_4_3 = zetb*( c1*e_4_4_2 &
54127 +c3*e_5_4_2&
54128 +12*e_6_4_2 &
54129 -4*e_5_4_1)
54130 e_6_4_3 = zetb*( c1*e_5_4_2 &
54131 +c3*e_6_4_2&
54132
54133 )
54134 e_7_4_3 = zetb*( c1*e_6_4_2 &
54135
54136
54137 )
54138 e_0_1_3 = zeta*( &
54139 +c2*e_0_0_3&
54140 +2*e_1_0_3 &
54141 )
54142 e_0_0_4 = zetb*( &
54143 +c3*e_0_0_3&
54144 +2*e_1_0_3 &
54145 -6*e_0_0_2)
54146 e_1_1_3 = zeta*( c1*e_0_0_3 &
54147 +c2*e_1_0_3&
54148 +4*e_2_0_3 &
54149 )
54150 e_1_0_4 = zetb*( c1*e_0_0_3 &
54151 +c3*e_1_0_3&
54152 +4*e_2_0_3 &
54153 -6*e_1_0_2)
54154 e_2_1_3 = zeta*( c1*e_1_0_3 &
54155 +c2*e_2_0_3&
54156 +6*e_3_0_3 &
54157 )
54158 e_2_0_4 = zetb*( c1*e_1_0_3 &
54159 +c3*e_2_0_3&
54160 +6*e_3_0_3 &
54161 -6*e_2_0_2)
54162 e_3_1_3 = zeta*( c1*e_2_0_3 &
54163 +c2*e_3_0_3&
54164
54165 )
54166 e_3_0_4 = zetb*( c1*e_2_0_3 &
54167 +c3*e_3_0_3&
54168
54169 )
54170 e_4_1_3 = zeta*( c1*e_3_0_3 &
54171
54172
54173 )
54174 e_4_0_4 = zetb*( c1*e_3_0_3 &
54175
54176
54177 )
54178 e_0_2_3 = zeta*( &
54179 +c2*e_0_1_3&
54180 +2*e_1_1_3 &
54181 -2*e_0_0_3)
54182 e_0_1_4 = zetb*( &
54183 +c3*e_0_1_3&
54184 +2*e_1_1_3 &
54185 -6*e_0_1_2)
54186 e_1_2_3 = zeta*( c1*e_0_1_3 &
54187 +c2*e_1_1_3&
54188 +4*e_2_1_3 &
54189 -2*e_1_0_3)
54190 e_1_1_4 = zetb*( c1*e_0_1_3 &
54191 +c3*e_1_1_3&
54192 +4*e_2_1_3 &
54193 -6*e_1_1_2)
54194 e_2_2_3 = zeta*( c1*e_1_1_3 &
54195 +c2*e_2_1_3&
54196 +6*e_3_1_3 &
54197 -2*e_2_0_3)
54198 e_2_1_4 = zetb*( c1*e_1_1_3 &
54199 +c3*e_2_1_3&
54200 +6*e_3_1_3 &
54201 -6*e_2_1_2)
54202 e_3_2_3 = zeta*( c1*e_2_1_3 &
54203 +c2*e_3_1_3&
54204 +8*e_4_1_3 &
54205 -2*e_3_0_3)
54206 e_3_1_4 = zetb*( c1*e_2_1_3 &
54207 +c3*e_3_1_3&
54208 +8*e_4_1_3 &
54209 -6*e_3_1_2)
54210 e_4_2_3 = zeta*( c1*e_3_1_3 &
54211 +c2*e_4_1_3&
54212
54213 )
54214 e_4_1_4 = zetb*( c1*e_3_1_3 &
54215 +c3*e_4_1_3&
54216
54217 )
54218 e_5_2_3 = zeta*( c1*e_4_1_3 &
54219
54220
54221 )
54222 e_5_1_4 = zetb*( c1*e_4_1_3 &
54223
54224
54225 )
54226 e_0_3_3 = zeta*( &
54227 +c2*e_0_2_3&
54228 +2*e_1_2_3 &
54229 -4*e_0_1_3)
54230 e_0_2_4 = zetb*( &
54231 +c3*e_0_2_3&
54232 +2*e_1_2_3 &
54233 -6*e_0_2_2)
54234 e_1_3_3 = zeta*( c1*e_0_2_3 &
54235 +c2*e_1_2_3&
54236 +4*e_2_2_3 &
54237 -4*e_1_1_3)
54238 e_1_2_4 = zetb*( c1*e_0_2_3 &
54239 +c3*e_1_2_3&
54240 +4*e_2_2_3 &
54241 -6*e_1_2_2)
54242 e_2_3_3 = zeta*( c1*e_1_2_3 &
54243 +c2*e_2_2_3&
54244 +6*e_3_2_3 &
54245 -4*e_2_1_3)
54246 e_2_2_4 = zetb*( c1*e_1_2_3 &
54247 +c3*e_2_2_3&
54248 +6*e_3_2_3 &
54249 -6*e_2_2_2)
54250 e_3_3_3 = zeta*( c1*e_2_2_3 &
54251 +c2*e_3_2_3&
54252 +8*e_4_2_3 &
54253 -4*e_3_1_3)
54254 e_3_2_4 = zetb*( c1*e_2_2_3 &
54255 +c3*e_3_2_3&
54256 +8*e_4_2_3 &
54257 -6*e_3_2_2)
54258 e_4_3_3 = zeta*( c1*e_3_2_3 &
54259 +c2*e_4_2_3&
54260 +10*e_5_2_3 &
54261 -4*e_4_1_3)
54262 e_4_2_4 = zetb*( c1*e_3_2_3 &
54263 +c3*e_4_2_3&
54264 +10*e_5_2_3 &
54265 -6*e_4_2_2)
54266 e_5_3_3 = zeta*( c1*e_4_2_3 &
54267 +c2*e_5_2_3&
54268
54269 )
54270 e_5_2_4 = zetb*( c1*e_4_2_3 &
54271 +c3*e_5_2_3&
54272
54273 )
54274 e_6_3_3 = zeta*( c1*e_5_2_3 &
54275
54276
54277 )
54278 e_6_2_4 = zetb*( c1*e_5_2_3 &
54279
54280
54281 )
54282 e_0_4_3 = zeta*( &
54283 +c2*e_0_3_3&
54284 +2*e_1_3_3 &
54285 -6*e_0_2_3)
54286 e_0_3_4 = zetb*( &
54287 +c3*e_0_3_3&
54288 +2*e_1_3_3 &
54289 -6*e_0_3_2)
54290 e_1_4_3 = zeta*( c1*e_0_3_3 &
54291 +c2*e_1_3_3&
54292 +4*e_2_3_3 &
54293 -6*e_1_2_3)
54294 e_1_3_4 = zetb*( c1*e_0_3_3 &
54295 +c3*e_1_3_3&
54296 +4*e_2_3_3 &
54297 -6*e_1_3_2)
54298 e_2_4_3 = zeta*( c1*e_1_3_3 &
54299 +c2*e_2_3_3&
54300 +6*e_3_3_3 &
54301 -6*e_2_2_3)
54302 e_2_3_4 = zetb*( c1*e_1_3_3 &
54303 +c3*e_2_3_3&
54304 +6*e_3_3_3 &
54305 -6*e_2_3_2)
54306 e_3_4_3 = zeta*( c1*e_2_3_3 &
54307 +c2*e_3_3_3&
54308 +8*e_4_3_3 &
54309 -6*e_3_2_3)
54310 e_3_3_4 = zetb*( c1*e_2_3_3 &
54311 +c3*e_3_3_3&
54312 +8*e_4_3_3 &
54313 -6*e_3_3_2)
54314 e_4_4_3 = zeta*( c1*e_3_3_3 &
54315 +c2*e_4_3_3&
54316 +10*e_5_3_3 &
54317 -6*e_4_2_3)
54318 e_4_3_4 = zetb*( c1*e_3_3_3 &
54319 +c3*e_4_3_3&
54320 +10*e_5_3_3 &
54321 -6*e_4_3_2)
54322 e_5_4_3 = zeta*( c1*e_4_3_3 &
54323 +c2*e_5_3_3&
54324 +12*e_6_3_3 &
54325 -6*e_5_2_3)
54326 e_5_3_4 = zetb*( c1*e_4_3_3 &
54327 +c3*e_5_3_3&
54328 +12*e_6_3_3 &
54329 -6*e_5_3_2)
54330 e_6_4_3 = zeta*( c1*e_5_3_3 &
54331 +c2*e_6_3_3&
54332
54333 )
54334 e_6_3_4 = zetb*( c1*e_5_3_3 &
54335 +c3*e_6_3_3&
54336
54337 )
54338 e_7_4_3 = zeta*( c1*e_6_3_3 &
54339
54340
54341 )
54342 e_7_3_4 = zetb*( c1*e_6_3_3 &
54343
54344
54345 )
54346 e_0_4_4 = zetb*( &
54347 +c3*e_0_4_3&
54348 +2*e_1_4_3 &
54349 -6*e_0_4_2)
54350 e_1_4_4 = zetb*( c1*e_0_4_3 &
54351 +c3*e_1_4_3&
54352 +4*e_2_4_3 &
54353 -6*e_1_4_2)
54354 e_2_4_4 = zetb*( c1*e_1_4_3 &
54355 +c3*e_2_4_3&
54356 +6*e_3_4_3 &
54357 -6*e_2_4_2)
54358 e_3_4_4 = zetb*( c1*e_2_4_3 &
54359 +c3*e_3_4_3&
54360 +8*e_4_4_3 &
54361 -6*e_3_4_2)
54362 e_4_4_4 = zetb*( c1*e_3_4_3 &
54363 +c3*e_4_4_3&
54364 +10*e_5_4_3 &
54365 -6*e_4_4_2)
54366 e_5_4_4 = zetb*( c1*e_4_4_3 &
54367 +c3*e_5_4_3&
54368 +12*e_6_4_3 &
54369 -6*e_5_4_2)
54370 e_6_4_4 = zetb*( c1*e_5_4_3 &
54371 +c3*e_6_4_3&
54372 +14*e_7_4_3 &
54373 -6*e_6_4_2)
54374 e_7_4_4 = zetb*( c1*e_6_4_3 &
54375 +c3*e_7_4_3&
54376
54377 )
54378 e_8_4_4 = zetb*( c1*e_7_4_3 &
54379
54380
54381 )
54382 e_0_1_4 = zeta*( &
54383 +c2*e_0_0_4&
54384 +2*e_1_0_4 &
54385 )
54386 e_1_1_4 = zeta*( c1*e_0_0_4 &
54387 +c2*e_1_0_4&
54388 +4*e_2_0_4 &
54389 )
54390 e_2_1_4 = zeta*( c1*e_1_0_4 &
54391 +c2*e_2_0_4&
54392 +6*e_3_0_4 &
54393 )
54394 e_3_1_4 = zeta*( c1*e_2_0_4 &
54395 +c2*e_3_0_4&
54396 +8*e_4_0_4 &
54397 )
54398 e_4_1_4 = zeta*( c1*e_3_0_4 &
54399 +c2*e_4_0_4&
54400
54401 )
54402 e_5_1_4 = zeta*( c1*e_4_0_4 &
54403
54404
54405 )
54406 e_0_2_4 = zeta*( &
54407 +c2*e_0_1_4&
54408 +2*e_1_1_4 &
54409 -2*e_0_0_4)
54410 e_1_2_4 = zeta*( c1*e_0_1_4 &
54411 +c2*e_1_1_4&
54412 +4*e_2_1_4 &
54413 -2*e_1_0_4)
54414 e_2_2_4 = zeta*( c1*e_1_1_4 &
54415 +c2*e_2_1_4&
54416 +6*e_3_1_4 &
54417 -2*e_2_0_4)
54418 e_3_2_4 = zeta*( c1*e_2_1_4 &
54419 +c2*e_3_1_4&
54420 +8*e_4_1_4 &
54421 -2*e_3_0_4)
54422 e_4_2_4 = zeta*( c1*e_3_1_4 &
54423 +c2*e_4_1_4&
54424 +10*e_5_1_4 &
54425 -2*e_4_0_4)
54426 e_5_2_4 = zeta*( c1*e_4_1_4 &
54427 +c2*e_5_1_4&
54428
54429 )
54430 e_6_2_4 = zeta*( c1*e_5_1_4 &
54431
54432
54433 )
54434 e_0_3_4 = zeta*( &
54435 +c2*e_0_2_4&
54436 +2*e_1_2_4 &
54437 -4*e_0_1_4)
54438 e_1_3_4 = zeta*( c1*e_0_2_4 &
54439 +c2*e_1_2_4&
54440 +4*e_2_2_4 &
54441 -4*e_1_1_4)
54442 e_2_3_4 = zeta*( c1*e_1_2_4 &
54443 +c2*e_2_2_4&
54444 +6*e_3_2_4 &
54445 -4*e_2_1_4)
54446 e_3_3_4 = zeta*( c1*e_2_2_4 &
54447 +c2*e_3_2_4&
54448 +8*e_4_2_4 &
54449 -4*e_3_1_4)
54450 e_4_3_4 = zeta*( c1*e_3_2_4 &
54451 +c2*e_4_2_4&
54452 +10*e_5_2_4 &
54453 -4*e_4_1_4)
54454 e_5_3_4 = zeta*( c1*e_4_2_4 &
54455 +c2*e_5_2_4&
54456 +12*e_6_2_4 &
54457 -4*e_5_1_4)
54458 e_6_3_4 = zeta*( c1*e_5_2_4 &
54459 +c2*e_6_2_4&
54460
54461 )
54462 e_7_3_4 = zeta*( c1*e_6_2_4 &
54463
54464
54465 )
54466 e_0_4_4 = zeta*( &
54467 +c2*e_0_3_4&
54468 +2*e_1_3_4 &
54469 -6*e_0_2_4)
54470 e_1_4_4 = zeta*( c1*e_0_3_4 &
54471 +c2*e_1_3_4&
54472 +4*e_2_3_4 &
54473 -6*e_1_2_4)
54474 e_2_4_4 = zeta*( c1*e_1_3_4 &
54475 +c2*e_2_3_4&
54476 +6*e_3_3_4 &
54477 -6*e_2_2_4)
54478 e_3_4_4 = zeta*( c1*e_2_3_4 &
54479 +c2*e_3_3_4&
54480 +8*e_4_3_4 &
54481 -6*e_3_2_4)
54482 e_4_4_4 = zeta*( c1*e_3_3_4 &
54483 +c2*e_4_3_4&
54484 +10*e_5_3_4 &
54485 -6*e_4_2_4)
54486 e_5_4_4 = zeta*( c1*e_4_3_4 &
54487 +c2*e_5_3_4&
54488 +12*e_6_3_4 &
54489 -6*e_5_2_4)
54490 e_6_4_4 = zeta*( c1*e_5_3_4 &
54491 +c2*e_6_3_4&
54492 +14*e_7_3_4 &
54493 -6*e_6_2_4)
54494 e_7_4_4 = zeta*( c1*e_6_3_4 &
54495 +c2*e_7_3_4&
54496
54497 )
54498 e_8_4_4 = zeta*( c1*e_7_3_4 &
54499
54500
54501 )
54502
54503 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
54504 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
54505 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
54506 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
54507 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
54508 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
54509 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
54510 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
54511 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
54512 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
54513 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
54514 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
54515 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
54516 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
54517 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
54518 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
54519 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
54520 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
54521 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
54522 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
54523 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
54524 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
54525 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
54526 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
54527 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
54528 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
54529 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
54530 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
54531 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
54532 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
54533 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
54534 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
54535 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
54536 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
54537 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
54538 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
54539 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
54540 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
54541 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
54542 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
54543 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
54544 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
54545 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
54546 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
54547 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
54548 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
54549 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
54550 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
54551 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
54552 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
54553 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
54554 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
54555 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
54556 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
54557 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
54558 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
54559 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
54560 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
54561 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
54562 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
54563 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
54564 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
54565 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
54566 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
54567 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
54568 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
54569 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
54570 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
54571 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
54572 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
54573 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
54574 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
54575 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
54576 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
54577 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
54578 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
54579 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
54580 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
54581 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
54582 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
54583 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
54584 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
54585 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
54586 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
54587 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
54588 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
54589 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
54590 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
54591 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
54592 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
54593 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
54594 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
54595 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
54596 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
54597 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
54598 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
54599 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
54600 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
54601 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
54602 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
54603 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
54604 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
54605 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
54606 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
54607 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
54608 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
54609 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
54610 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
54611 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
54612 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
54613 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
54614 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
54615 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
54616 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
54617 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
54618 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
54619 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
54620 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
54621 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
54622 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
54623 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
54624 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
54625 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
54626 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
54627 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
54628 r1 = r1 + dr
54629 END DO
54630
54631 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
54632 END SUBROUTINE
54633 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_1_exp_0 ( &
54634 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
54635 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
54636 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
54637 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
54638 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
54639 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
54640 r_pow_t, r_tmp, rr1_delta, rr2_delta
54641
54642 REAL(kind=dp) :: c1, c2, c3
54643 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
54644 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
54645 & s_r_t2_9
54646 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
54647 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
54648 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
54649 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
54650 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
54651 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
54652 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
54653 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
54654 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
54655 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
54656 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
54657 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
54658 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
54659 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
54660 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
54661 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
54662
54663
54664 dr = lgth
54665 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
54666
54667 s_r(:, :, :) = 0.0_dp
54668
54669 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
54670
54671 h_to_c_0_0 = sqrt(alpha/pi)
54672
54673 h_to_c_0_1 = 0.0_dp
54674 h_to_c_1_1 = +2*alpha*h_to_c_0_0
54675 h_to_c_0_2 = -1*h_to_c_1_1
54676 h_to_c_1_2 = +2*alpha*h_to_c_0_1
54677 h_to_c_2_2 = +2*alpha*h_to_c_1_1
54678 h_to_c_0_3 = -1*h_to_c_1_2
54679 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
54680 h_to_c_2_3 = +2*alpha*h_to_c_1_2
54681 h_to_c_3_3 = +2*alpha*h_to_c_2_2
54682 h_to_c_0_4 = -1*h_to_c_1_3
54683 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
54684 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
54685 h_to_c_3_4 = +2*alpha*h_to_c_2_3
54686 h_to_c_4_4 = +2*alpha*h_to_c_3_3
54687 h_to_c_0_5 = -1*h_to_c_1_4
54688 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
54689 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
54690 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
54691 h_to_c_4_5 = +2*alpha*h_to_c_3_4
54692 h_to_c_5_5 = +2*alpha*h_to_c_4_4
54693 h_to_c_0_6 = -1*h_to_c_1_5
54694 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
54695 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
54696 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
54697 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
54698 h_to_c_5_6 = +2*alpha*h_to_c_4_5
54699 h_to_c_6_6 = +2*alpha*h_to_c_5_5
54700 h_to_c_0_7 = -1*h_to_c_1_6
54701 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
54702 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
54703 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
54704 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
54705 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
54706 h_to_c_6_7 = +2*alpha*h_to_c_5_6
54707 h_to_c_7_7 = +2*alpha*h_to_c_6_6
54708 h_to_c_0_8 = -1*h_to_c_1_7
54709 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
54710 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
54711 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
54712 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
54713 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
54714 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
54715 h_to_c_7_8 = +2*alpha*h_to_c_6_7
54716 h_to_c_8_8 = +2*alpha*h_to_c_7_7
54717 h_to_c_0_9 = -1*h_to_c_1_8
54718 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
54719 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
54720 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
54721 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
54722 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
54723 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
54724 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
54725 h_to_c_8_9 = +2*alpha*h_to_c_7_8
54726 h_to_c_9_9 = +2*alpha*h_to_c_8_8
54727
54728
54729 rr1_delta = (ra - rb)/dr
54730
54731 rr1_l = ceiling(-r_c(1) + rr1_delta)
54732 rr1_r = floor(r_c(1) + rr1_delta)
54733
54734 r1 = rr1_l*dr
54735
54736 alpha_e = zeta*zetb/(zeta + zetb)
54737
54738 DO rr1 = rr1_l, rr1_r
54739 s_r_t_0 = 0.0_dp
54740 s_r_t2_0 = 0.0_dp
54741 s_r_t_1 = 0.0_dp
54742 s_r_t2_1 = 0.0_dp
54743 s_r_t_2 = 0.0_dp
54744 s_r_t2_2 = 0.0_dp
54745 s_r_t_3 = 0.0_dp
54746 s_r_t2_3 = 0.0_dp
54747 s_r_t_4 = 0.0_dp
54748 s_r_t2_4 = 0.0_dp
54749 s_r_t_5 = 0.0_dp
54750 s_r_t2_5 = 0.0_dp
54751 s_r_t_6 = 0.0_dp
54752 s_r_t2_6 = 0.0_dp
54753 s_r_t_7 = 0.0_dp
54754 s_r_t2_7 = 0.0_dp
54755 s_r_t_8 = 0.0_dp
54756 s_r_t2_8 = 0.0_dp
54757 s_r_t_9 = 0.0_dp
54758 s_r_t2_9 = 0.0_dp
54759 r_tmp = r_offset + r1*zeta/(zeta + zetb)
54760 rr2_delta = -r_tmp/dr
54761
54762 rr2_l = ceiling(-r_c(2) + rr2_delta)
54763 rr2_r = floor(r_c(2) + rr2_delta)
54764
54765 r = r_tmp + (rr2_l)*dr
54766
54767
54768 DO rr2 = rr2_l, rr2_r
54769 r_pow_t = 1.0_dp
54770 exp2_rsq = exp(-alpha*r*r)
54771 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
54772 r_pow_t = r_pow_t*r
54773 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
54774 r_pow_t = r_pow_t*r
54775 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
54776 r_pow_t = r_pow_t*r
54777 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
54778 r_pow_t = r_pow_t*r
54779 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
54780 r_pow_t = r_pow_t*r
54781 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
54782 r_pow_t = r_pow_t*r
54783 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
54784 r_pow_t = r_pow_t*r
54785 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
54786 r_pow_t = r_pow_t*r
54787 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
54788 r_pow_t = r_pow_t*r
54789 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
54790
54791 r = r + dr
54792 END DO
54793
54794 ! C --> H
54795 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
54796 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
54797 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
54798 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
54799 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
54800 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
54801 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
54802 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
54803 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
54804 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
54805 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
54806 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
54807 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
54808 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
54809 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
54810 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
54811 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
54812 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
54813 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
54814 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
54815 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
54816 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
54817 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
54818 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
54819 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
54820 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
54821 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
54822 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
54823 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
54824 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
54825 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
54826 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
54827 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
54828 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
54829 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
54830 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
54831 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
54832 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
54833 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
54834 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
54835 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
54836 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
54837 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
54838 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
54839 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
54840 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
54841 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
54842 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
54843 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
54844 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
54845 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
54846 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
54847 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
54848 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
54849 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
54850
54851 ! H --> HH
54852 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
54853
54854 c1 = 1.0_dp/(zeta + zetb)
54855 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
54856 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
54857
54858 e_0_1_0 = zeta*( &
54859 +c2*e_0_0_0&
54860
54861 )
54862 e_0_0_1 = zetb*( &
54863 +c3*e_0_0_0&
54864
54865 )
54866 e_1_1_0 = zeta*( c1*e_0_0_0 &
54867
54868
54869 )
54870 e_1_0_1 = zetb*( c1*e_0_0_0 &
54871
54872
54873 )
54874 e_0_2_0 = zeta*( &
54875 +c2*e_0_1_0&
54876 +2*e_1_1_0 &
54877 -2*e_0_0_0)
54878 e_0_1_1 = zetb*( &
54879 +c3*e_0_1_0&
54880 +2*e_1_1_0 &
54881 )
54882 e_1_2_0 = zeta*( c1*e_0_1_0 &
54883 +c2*e_1_1_0&
54884
54885 )
54886 e_1_1_1 = zetb*( c1*e_0_1_0 &
54887 +c3*e_1_1_0&
54888
54889 )
54890 e_2_2_0 = zeta*( c1*e_1_1_0 &
54891
54892
54893 )
54894 e_2_1_1 = zetb*( c1*e_1_1_0 &
54895
54896
54897 )
54898 e_0_3_0 = zeta*( &
54899 +c2*e_0_2_0&
54900 +2*e_1_2_0 &
54901 -4*e_0_1_0)
54902 e_0_2_1 = zetb*( &
54903 +c3*e_0_2_0&
54904 +2*e_1_2_0 &
54905 )
54906 e_1_3_0 = zeta*( c1*e_0_2_0 &
54907 +c2*e_1_2_0&
54908 +4*e_2_2_0 &
54909 -4*e_1_1_0)
54910 e_1_2_1 = zetb*( c1*e_0_2_0 &
54911 +c3*e_1_2_0&
54912 +4*e_2_2_0 &
54913 )
54914 e_2_3_0 = zeta*( c1*e_1_2_0 &
54915 +c2*e_2_2_0&
54916
54917 )
54918 e_2_2_1 = zetb*( c1*e_1_2_0 &
54919 +c3*e_2_2_0&
54920
54921 )
54922 e_3_3_0 = zeta*( c1*e_2_2_0 &
54923
54924
54925 )
54926 e_3_2_1 = zetb*( c1*e_2_2_0 &
54927
54928
54929 )
54930 e_0_4_0 = zeta*( &
54931 +c2*e_0_3_0&
54932 +2*e_1_3_0 &
54933 -6*e_0_2_0)
54934 e_0_3_1 = zetb*( &
54935 +c3*e_0_3_0&
54936 +2*e_1_3_0 &
54937 )
54938 e_1_4_0 = zeta*( c1*e_0_3_0 &
54939 +c2*e_1_3_0&
54940 +4*e_2_3_0 &
54941 -6*e_1_2_0)
54942 e_1_3_1 = zetb*( c1*e_0_3_0 &
54943 +c3*e_1_3_0&
54944 +4*e_2_3_0 &
54945 )
54946 e_2_4_0 = zeta*( c1*e_1_3_0 &
54947 +c2*e_2_3_0&
54948 +6*e_3_3_0 &
54949 -6*e_2_2_0)
54950 e_2_3_1 = zetb*( c1*e_1_3_0 &
54951 +c3*e_2_3_0&
54952 +6*e_3_3_0 &
54953 )
54954 e_3_4_0 = zeta*( c1*e_2_3_0 &
54955 +c2*e_3_3_0&
54956
54957 )
54958 e_3_3_1 = zetb*( c1*e_2_3_0 &
54959 +c3*e_3_3_0&
54960
54961 )
54962 e_4_4_0 = zeta*( c1*e_3_3_0 &
54963
54964
54965 )
54966 e_4_3_1 = zetb*( c1*e_3_3_0 &
54967
54968
54969 )
54970 e_0_4_1 = zetb*( &
54971 +c3*e_0_4_0&
54972 +2*e_1_4_0 &
54973 )
54974 e_1_4_1 = zetb*( c1*e_0_4_0 &
54975 +c3*e_1_4_0&
54976 +4*e_2_4_0 &
54977 )
54978 e_2_4_1 = zetb*( c1*e_1_4_0 &
54979 +c3*e_2_4_0&
54980 +6*e_3_4_0 &
54981 )
54982 e_3_4_1 = zetb*( c1*e_2_4_0 &
54983 +c3*e_3_4_0&
54984 +8*e_4_4_0 &
54985 )
54986 e_4_4_1 = zetb*( c1*e_3_4_0 &
54987 +c3*e_4_4_0&
54988
54989 )
54990 e_5_4_1 = zetb*( c1*e_4_4_0 &
54991
54992
54993 )
54994 e_0_1_1 = zeta*( &
54995 +c2*e_0_0_1&
54996 +2*e_1_0_1 &
54997 )
54998 e_0_0_2 = zetb*( &
54999 +c3*e_0_0_1&
55000 +2*e_1_0_1 &
55001 -2*e_0_0_0)
55002 e_1_1_1 = zeta*( c1*e_0_0_1 &
55003 +c2*e_1_0_1&
55004
55005 )
55006 e_1_0_2 = zetb*( c1*e_0_0_1 &
55007 +c3*e_1_0_1&
55008
55009 )
55010 e_2_1_1 = zeta*( c1*e_1_0_1 &
55011
55012
55013 )
55014 e_2_0_2 = zetb*( c1*e_1_0_1 &
55015
55016
55017 )
55018 e_0_2_1 = zeta*( &
55019 +c2*e_0_1_1&
55020 +2*e_1_1_1 &
55021 -2*e_0_0_1)
55022 e_0_1_2 = zetb*( &
55023 +c3*e_0_1_1&
55024 +2*e_1_1_1 &
55025 -2*e_0_1_0)
55026 e_1_2_1 = zeta*( c1*e_0_1_1 &
55027 +c2*e_1_1_1&
55028 +4*e_2_1_1 &
55029 -2*e_1_0_1)
55030 e_1_1_2 = zetb*( c1*e_0_1_1 &
55031 +c3*e_1_1_1&
55032 +4*e_2_1_1 &
55033 -2*e_1_1_0)
55034 e_2_2_1 = zeta*( c1*e_1_1_1 &
55035 +c2*e_2_1_1&
55036
55037 )
55038 e_2_1_2 = zetb*( c1*e_1_1_1 &
55039 +c3*e_2_1_1&
55040
55041 )
55042 e_3_2_1 = zeta*( c1*e_2_1_1 &
55043
55044
55045 )
55046 e_3_1_2 = zetb*( c1*e_2_1_1 &
55047
55048
55049 )
55050 e_0_3_1 = zeta*( &
55051 +c2*e_0_2_1&
55052 +2*e_1_2_1 &
55053 -4*e_0_1_1)
55054 e_0_2_2 = zetb*( &
55055 +c3*e_0_2_1&
55056 +2*e_1_2_1 &
55057 -2*e_0_2_0)
55058 e_1_3_1 = zeta*( c1*e_0_2_1 &
55059 +c2*e_1_2_1&
55060 +4*e_2_2_1 &
55061 -4*e_1_1_1)
55062 e_1_2_2 = zetb*( c1*e_0_2_1 &
55063 +c3*e_1_2_1&
55064 +4*e_2_2_1 &
55065 -2*e_1_2_0)
55066 e_2_3_1 = zeta*( c1*e_1_2_1 &
55067 +c2*e_2_2_1&
55068 +6*e_3_2_1 &
55069 -4*e_2_1_1)
55070 e_2_2_2 = zetb*( c1*e_1_2_1 &
55071 +c3*e_2_2_1&
55072 +6*e_3_2_1 &
55073 -2*e_2_2_0)
55074 e_3_3_1 = zeta*( c1*e_2_2_1 &
55075 +c2*e_3_2_1&
55076
55077 )
55078 e_3_2_2 = zetb*( c1*e_2_2_1 &
55079 +c3*e_3_2_1&
55080
55081 )
55082 e_4_3_1 = zeta*( c1*e_3_2_1 &
55083
55084
55085 )
55086 e_4_2_2 = zetb*( c1*e_3_2_1 &
55087
55088
55089 )
55090 e_0_4_1 = zeta*( &
55091 +c2*e_0_3_1&
55092 +2*e_1_3_1 &
55093 -6*e_0_2_1)
55094 e_0_3_2 = zetb*( &
55095 +c3*e_0_3_1&
55096 +2*e_1_3_1 &
55097 -2*e_0_3_0)
55098 e_1_4_1 = zeta*( c1*e_0_3_1 &
55099 +c2*e_1_3_1&
55100 +4*e_2_3_1 &
55101 -6*e_1_2_1)
55102 e_1_3_2 = zetb*( c1*e_0_3_1 &
55103 +c3*e_1_3_1&
55104 +4*e_2_3_1 &
55105 -2*e_1_3_0)
55106 e_2_4_1 = zeta*( c1*e_1_3_1 &
55107 +c2*e_2_3_1&
55108 +6*e_3_3_1 &
55109 -6*e_2_2_1)
55110 e_2_3_2 = zetb*( c1*e_1_3_1 &
55111 +c3*e_2_3_1&
55112 +6*e_3_3_1 &
55113 -2*e_2_3_0)
55114 e_3_4_1 = zeta*( c1*e_2_3_1 &
55115 +c2*e_3_3_1&
55116 +8*e_4_3_1 &
55117 -6*e_3_2_1)
55118 e_3_3_2 = zetb*( c1*e_2_3_1 &
55119 +c3*e_3_3_1&
55120 +8*e_4_3_1 &
55121 -2*e_3_3_0)
55122 e_4_4_1 = zeta*( c1*e_3_3_1 &
55123 +c2*e_4_3_1&
55124
55125 )
55126 e_4_3_2 = zetb*( c1*e_3_3_1 &
55127 +c3*e_4_3_1&
55128
55129 )
55130 e_5_4_1 = zeta*( c1*e_4_3_1 &
55131
55132
55133 )
55134 e_5_3_2 = zetb*( c1*e_4_3_1 &
55135
55136
55137 )
55138 e_0_4_2 = zetb*( &
55139 +c3*e_0_4_1&
55140 +2*e_1_4_1 &
55141 -2*e_0_4_0)
55142 e_1_4_2 = zetb*( c1*e_0_4_1 &
55143 +c3*e_1_4_1&
55144 +4*e_2_4_1 &
55145 -2*e_1_4_0)
55146 e_2_4_2 = zetb*( c1*e_1_4_1 &
55147 +c3*e_2_4_1&
55148 +6*e_3_4_1 &
55149 -2*e_2_4_0)
55150 e_3_4_2 = zetb*( c1*e_2_4_1 &
55151 +c3*e_3_4_1&
55152 +8*e_4_4_1 &
55153 -2*e_3_4_0)
55154 e_4_4_2 = zetb*( c1*e_3_4_1 &
55155 +c3*e_4_4_1&
55156 +10*e_5_4_1 &
55157 -2*e_4_4_0)
55158 e_5_4_2 = zetb*( c1*e_4_4_1 &
55159 +c3*e_5_4_1&
55160
55161 )
55162 e_6_4_2 = zetb*( c1*e_5_4_1 &
55163
55164
55165 )
55166 e_0_1_2 = zeta*( &
55167 +c2*e_0_0_2&
55168 +2*e_1_0_2 &
55169 )
55170 e_0_0_3 = zetb*( &
55171 +c3*e_0_0_2&
55172 +2*e_1_0_2 &
55173 -4*e_0_0_1)
55174 e_1_1_2 = zeta*( c1*e_0_0_2 &
55175 +c2*e_1_0_2&
55176 +4*e_2_0_2 &
55177 )
55178 e_1_0_3 = zetb*( c1*e_0_0_2 &
55179 +c3*e_1_0_2&
55180 +4*e_2_0_2 &
55181 -4*e_1_0_1)
55182 e_2_1_2 = zeta*( c1*e_1_0_2 &
55183 +c2*e_2_0_2&
55184
55185 )
55186 e_2_0_3 = zetb*( c1*e_1_0_2 &
55187 +c3*e_2_0_2&
55188
55189 )
55190 e_3_1_2 = zeta*( c1*e_2_0_2 &
55191
55192
55193 )
55194 e_3_0_3 = zetb*( c1*e_2_0_2 &
55195
55196
55197 )
55198 e_0_2_2 = zeta*( &
55199 +c2*e_0_1_2&
55200 +2*e_1_1_2 &
55201 -2*e_0_0_2)
55202 e_0_1_3 = zetb*( &
55203 +c3*e_0_1_2&
55204 +2*e_1_1_2 &
55205 -4*e_0_1_1)
55206 e_1_2_2 = zeta*( c1*e_0_1_2 &
55207 +c2*e_1_1_2&
55208 +4*e_2_1_2 &
55209 -2*e_1_0_2)
55210 e_1_1_3 = zetb*( c1*e_0_1_2 &
55211 +c3*e_1_1_2&
55212 +4*e_2_1_2 &
55213 -4*e_1_1_1)
55214 e_2_2_2 = zeta*( c1*e_1_1_2 &
55215 +c2*e_2_1_2&
55216 +6*e_3_1_2 &
55217 -2*e_2_0_2)
55218 e_2_1_3 = zetb*( c1*e_1_1_2 &
55219 +c3*e_2_1_2&
55220 +6*e_3_1_2 &
55221 -4*e_2_1_1)
55222 e_3_2_2 = zeta*( c1*e_2_1_2 &
55223 +c2*e_3_1_2&
55224
55225 )
55226 e_3_1_3 = zetb*( c1*e_2_1_2 &
55227 +c3*e_3_1_2&
55228
55229 )
55230 e_4_2_2 = zeta*( c1*e_3_1_2 &
55231
55232
55233 )
55234 e_4_1_3 = zetb*( c1*e_3_1_2 &
55235
55236
55237 )
55238 e_0_3_2 = zeta*( &
55239 +c2*e_0_2_2&
55240 +2*e_1_2_2 &
55241 -4*e_0_1_2)
55242 e_0_2_3 = zetb*( &
55243 +c3*e_0_2_2&
55244 +2*e_1_2_2 &
55245 -4*e_0_2_1)
55246 e_1_3_2 = zeta*( c1*e_0_2_2 &
55247 +c2*e_1_2_2&
55248 +4*e_2_2_2 &
55249 -4*e_1_1_2)
55250 e_1_2_3 = zetb*( c1*e_0_2_2 &
55251 +c3*e_1_2_2&
55252 +4*e_2_2_2 &
55253 -4*e_1_2_1)
55254 e_2_3_2 = zeta*( c1*e_1_2_2 &
55255 +c2*e_2_2_2&
55256 +6*e_3_2_2 &
55257 -4*e_2_1_2)
55258 e_2_2_3 = zetb*( c1*e_1_2_2 &
55259 +c3*e_2_2_2&
55260 +6*e_3_2_2 &
55261 -4*e_2_2_1)
55262 e_3_3_2 = zeta*( c1*e_2_2_2 &
55263 +c2*e_3_2_2&
55264 +8*e_4_2_2 &
55265 -4*e_3_1_2)
55266 e_3_2_3 = zetb*( c1*e_2_2_2 &
55267 +c3*e_3_2_2&
55268 +8*e_4_2_2 &
55269 -4*e_3_2_1)
55270 e_4_3_2 = zeta*( c1*e_3_2_2 &
55271 +c2*e_4_2_2&
55272
55273 )
55274 e_4_2_3 = zetb*( c1*e_3_2_2 &
55275 +c3*e_4_2_2&
55276
55277 )
55278 e_5_3_2 = zeta*( c1*e_4_2_2 &
55279
55280
55281 )
55282 e_5_2_3 = zetb*( c1*e_4_2_2 &
55283
55284
55285 )
55286 e_0_4_2 = zeta*( &
55287 +c2*e_0_3_2&
55288 +2*e_1_3_2 &
55289 -6*e_0_2_2)
55290 e_0_3_3 = zetb*( &
55291 +c3*e_0_3_2&
55292 +2*e_1_3_2 &
55293 -4*e_0_3_1)
55294 e_1_4_2 = zeta*( c1*e_0_3_2 &
55295 +c2*e_1_3_2&
55296 +4*e_2_3_2 &
55297 -6*e_1_2_2)
55298 e_1_3_3 = zetb*( c1*e_0_3_2 &
55299 +c3*e_1_3_2&
55300 +4*e_2_3_2 &
55301 -4*e_1_3_1)
55302 e_2_4_2 = zeta*( c1*e_1_3_2 &
55303 +c2*e_2_3_2&
55304 +6*e_3_3_2 &
55305 -6*e_2_2_2)
55306 e_2_3_3 = zetb*( c1*e_1_3_2 &
55307 +c3*e_2_3_2&
55308 +6*e_3_3_2 &
55309 -4*e_2_3_1)
55310 e_3_4_2 = zeta*( c1*e_2_3_2 &
55311 +c2*e_3_3_2&
55312 +8*e_4_3_2 &
55313 -6*e_3_2_2)
55314 e_3_3_3 = zetb*( c1*e_2_3_2 &
55315 +c3*e_3_3_2&
55316 +8*e_4_3_2 &
55317 -4*e_3_3_1)
55318 e_4_4_2 = zeta*( c1*e_3_3_2 &
55319 +c2*e_4_3_2&
55320 +10*e_5_3_2 &
55321 -6*e_4_2_2)
55322 e_4_3_3 = zetb*( c1*e_3_3_2 &
55323 +c3*e_4_3_2&
55324 +10*e_5_3_2 &
55325 -4*e_4_3_1)
55326 e_5_4_2 = zeta*( c1*e_4_3_2 &
55327 +c2*e_5_3_2&
55328
55329 )
55330 e_5_3_3 = zetb*( c1*e_4_3_2 &
55331 +c3*e_5_3_2&
55332
55333 )
55334 e_6_4_2 = zeta*( c1*e_5_3_2 &
55335
55336
55337 )
55338 e_6_3_3 = zetb*( c1*e_5_3_2 &
55339
55340
55341 )
55342 e_0_4_3 = zetb*( &
55343 +c3*e_0_4_2&
55344 +2*e_1_4_2 &
55345 -4*e_0_4_1)
55346 e_1_4_3 = zetb*( c1*e_0_4_2 &
55347 +c3*e_1_4_2&
55348 +4*e_2_4_2 &
55349 -4*e_1_4_1)
55350 e_2_4_3 = zetb*( c1*e_1_4_2 &
55351 +c3*e_2_4_2&
55352 +6*e_3_4_2 &
55353 -4*e_2_4_1)
55354 e_3_4_3 = zetb*( c1*e_2_4_2 &
55355 +c3*e_3_4_2&
55356 +8*e_4_4_2 &
55357 -4*e_3_4_1)
55358 e_4_4_3 = zetb*( c1*e_3_4_2 &
55359 +c3*e_4_4_2&
55360 +10*e_5_4_2 &
55361 -4*e_4_4_1)
55362 e_5_4_3 = zetb*( c1*e_4_4_2 &
55363 +c3*e_5_4_2&
55364 +12*e_6_4_2 &
55365 -4*e_5_4_1)
55366 e_6_4_3 = zetb*( c1*e_5_4_2 &
55367 +c3*e_6_4_2&
55368
55369 )
55370 e_7_4_3 = zetb*( c1*e_6_4_2 &
55371
55372
55373 )
55374 e_0_1_3 = zeta*( &
55375 +c2*e_0_0_3&
55376 +2*e_1_0_3 &
55377 )
55378 e_0_0_4 = zetb*( &
55379 +c3*e_0_0_3&
55380 +2*e_1_0_3 &
55381 -6*e_0_0_2)
55382 e_1_1_3 = zeta*( c1*e_0_0_3 &
55383 +c2*e_1_0_3&
55384 +4*e_2_0_3 &
55385 )
55386 e_1_0_4 = zetb*( c1*e_0_0_3 &
55387 +c3*e_1_0_3&
55388 +4*e_2_0_3 &
55389 -6*e_1_0_2)
55390 e_2_1_3 = zeta*( c1*e_1_0_3 &
55391 +c2*e_2_0_3&
55392 +6*e_3_0_3 &
55393 )
55394 e_2_0_4 = zetb*( c1*e_1_0_3 &
55395 +c3*e_2_0_3&
55396 +6*e_3_0_3 &
55397 -6*e_2_0_2)
55398 e_3_1_3 = zeta*( c1*e_2_0_3 &
55399 +c2*e_3_0_3&
55400
55401 )
55402 e_3_0_4 = zetb*( c1*e_2_0_3 &
55403 +c3*e_3_0_3&
55404
55405 )
55406 e_4_1_3 = zeta*( c1*e_3_0_3 &
55407
55408
55409 )
55410 e_4_0_4 = zetb*( c1*e_3_0_3 &
55411
55412
55413 )
55414 e_0_2_3 = zeta*( &
55415 +c2*e_0_1_3&
55416 +2*e_1_1_3 &
55417 -2*e_0_0_3)
55418 e_0_1_4 = zetb*( &
55419 +c3*e_0_1_3&
55420 +2*e_1_1_3 &
55421 -6*e_0_1_2)
55422 e_1_2_3 = zeta*( c1*e_0_1_3 &
55423 +c2*e_1_1_3&
55424 +4*e_2_1_3 &
55425 -2*e_1_0_3)
55426 e_1_1_4 = zetb*( c1*e_0_1_3 &
55427 +c3*e_1_1_3&
55428 +4*e_2_1_3 &
55429 -6*e_1_1_2)
55430 e_2_2_3 = zeta*( c1*e_1_1_3 &
55431 +c2*e_2_1_3&
55432 +6*e_3_1_3 &
55433 -2*e_2_0_3)
55434 e_2_1_4 = zetb*( c1*e_1_1_3 &
55435 +c3*e_2_1_3&
55436 +6*e_3_1_3 &
55437 -6*e_2_1_2)
55438 e_3_2_3 = zeta*( c1*e_2_1_3 &
55439 +c2*e_3_1_3&
55440 +8*e_4_1_3 &
55441 -2*e_3_0_3)
55442 e_3_1_4 = zetb*( c1*e_2_1_3 &
55443 +c3*e_3_1_3&
55444 +8*e_4_1_3 &
55445 -6*e_3_1_2)
55446 e_4_2_3 = zeta*( c1*e_3_1_3 &
55447 +c2*e_4_1_3&
55448
55449 )
55450 e_4_1_4 = zetb*( c1*e_3_1_3 &
55451 +c3*e_4_1_3&
55452
55453 )
55454 e_5_2_3 = zeta*( c1*e_4_1_3 &
55455
55456
55457 )
55458 e_5_1_4 = zetb*( c1*e_4_1_3 &
55459
55460
55461 )
55462 e_0_3_3 = zeta*( &
55463 +c2*e_0_2_3&
55464 +2*e_1_2_3 &
55465 -4*e_0_1_3)
55466 e_0_2_4 = zetb*( &
55467 +c3*e_0_2_3&
55468 +2*e_1_2_3 &
55469 -6*e_0_2_2)
55470 e_1_3_3 = zeta*( c1*e_0_2_3 &
55471 +c2*e_1_2_3&
55472 +4*e_2_2_3 &
55473 -4*e_1_1_3)
55474 e_1_2_4 = zetb*( c1*e_0_2_3 &
55475 +c3*e_1_2_3&
55476 +4*e_2_2_3 &
55477 -6*e_1_2_2)
55478 e_2_3_3 = zeta*( c1*e_1_2_3 &
55479 +c2*e_2_2_3&
55480 +6*e_3_2_3 &
55481 -4*e_2_1_3)
55482 e_2_2_4 = zetb*( c1*e_1_2_3 &
55483 +c3*e_2_2_3&
55484 +6*e_3_2_3 &
55485 -6*e_2_2_2)
55486 e_3_3_3 = zeta*( c1*e_2_2_3 &
55487 +c2*e_3_2_3&
55488 +8*e_4_2_3 &
55489 -4*e_3_1_3)
55490 e_3_2_4 = zetb*( c1*e_2_2_3 &
55491 +c3*e_3_2_3&
55492 +8*e_4_2_3 &
55493 -6*e_3_2_2)
55494 e_4_3_3 = zeta*( c1*e_3_2_3 &
55495 +c2*e_4_2_3&
55496 +10*e_5_2_3 &
55497 -4*e_4_1_3)
55498 e_4_2_4 = zetb*( c1*e_3_2_3 &
55499 +c3*e_4_2_3&
55500 +10*e_5_2_3 &
55501 -6*e_4_2_2)
55502 e_5_3_3 = zeta*( c1*e_4_2_3 &
55503 +c2*e_5_2_3&
55504
55505 )
55506 e_5_2_4 = zetb*( c1*e_4_2_3 &
55507 +c3*e_5_2_3&
55508
55509 )
55510 e_6_3_3 = zeta*( c1*e_5_2_3 &
55511
55512
55513 )
55514 e_6_2_4 = zetb*( c1*e_5_2_3 &
55515
55516
55517 )
55518 e_0_4_3 = zeta*( &
55519 +c2*e_0_3_3&
55520 +2*e_1_3_3 &
55521 -6*e_0_2_3)
55522 e_0_3_4 = zetb*( &
55523 +c3*e_0_3_3&
55524 +2*e_1_3_3 &
55525 -6*e_0_3_2)
55526 e_1_4_3 = zeta*( c1*e_0_3_3 &
55527 +c2*e_1_3_3&
55528 +4*e_2_3_3 &
55529 -6*e_1_2_3)
55530 e_1_3_4 = zetb*( c1*e_0_3_3 &
55531 +c3*e_1_3_3&
55532 +4*e_2_3_3 &
55533 -6*e_1_3_2)
55534 e_2_4_3 = zeta*( c1*e_1_3_3 &
55535 +c2*e_2_3_3&
55536 +6*e_3_3_3 &
55537 -6*e_2_2_3)
55538 e_2_3_4 = zetb*( c1*e_1_3_3 &
55539 +c3*e_2_3_3&
55540 +6*e_3_3_3 &
55541 -6*e_2_3_2)
55542 e_3_4_3 = zeta*( c1*e_2_3_3 &
55543 +c2*e_3_3_3&
55544 +8*e_4_3_3 &
55545 -6*e_3_2_3)
55546 e_3_3_4 = zetb*( c1*e_2_3_3 &
55547 +c3*e_3_3_3&
55548 +8*e_4_3_3 &
55549 -6*e_3_3_2)
55550 e_4_4_3 = zeta*( c1*e_3_3_3 &
55551 +c2*e_4_3_3&
55552 +10*e_5_3_3 &
55553 -6*e_4_2_3)
55554 e_4_3_4 = zetb*( c1*e_3_3_3 &
55555 +c3*e_4_3_3&
55556 +10*e_5_3_3 &
55557 -6*e_4_3_2)
55558 e_5_4_3 = zeta*( c1*e_4_3_3 &
55559 +c2*e_5_3_3&
55560 +12*e_6_3_3 &
55561 -6*e_5_2_3)
55562 e_5_3_4 = zetb*( c1*e_4_3_3 &
55563 +c3*e_5_3_3&
55564 +12*e_6_3_3 &
55565 -6*e_5_3_2)
55566 e_6_4_3 = zeta*( c1*e_5_3_3 &
55567 +c2*e_6_3_3&
55568
55569 )
55570 e_6_3_4 = zetb*( c1*e_5_3_3 &
55571 +c3*e_6_3_3&
55572
55573 )
55574 e_7_4_3 = zeta*( c1*e_6_3_3 &
55575
55576
55577 )
55578 e_7_3_4 = zetb*( c1*e_6_3_3 &
55579
55580
55581 )
55582 e_0_4_4 = zetb*( &
55583 +c3*e_0_4_3&
55584 +2*e_1_4_3 &
55585 -6*e_0_4_2)
55586 e_1_4_4 = zetb*( c1*e_0_4_3 &
55587 +c3*e_1_4_3&
55588 +4*e_2_4_3 &
55589 -6*e_1_4_2)
55590 e_2_4_4 = zetb*( c1*e_1_4_3 &
55591 +c3*e_2_4_3&
55592 +6*e_3_4_3 &
55593 -6*e_2_4_2)
55594 e_3_4_4 = zetb*( c1*e_2_4_3 &
55595 +c3*e_3_4_3&
55596 +8*e_4_4_3 &
55597 -6*e_3_4_2)
55598 e_4_4_4 = zetb*( c1*e_3_4_3 &
55599 +c3*e_4_4_3&
55600 +10*e_5_4_3 &
55601 -6*e_4_4_2)
55602 e_5_4_4 = zetb*( c1*e_4_4_3 &
55603 +c3*e_5_4_3&
55604 +12*e_6_4_3 &
55605 -6*e_5_4_2)
55606 e_6_4_4 = zetb*( c1*e_5_4_3 &
55607 +c3*e_6_4_3&
55608 +14*e_7_4_3 &
55609 -6*e_6_4_2)
55610 e_7_4_4 = zetb*( c1*e_6_4_3 &
55611 +c3*e_7_4_3&
55612
55613 )
55614 e_8_4_4 = zetb*( c1*e_7_4_3 &
55615
55616
55617 )
55618 e_0_1_4 = zeta*( &
55619 +c2*e_0_0_4&
55620 +2*e_1_0_4 &
55621 )
55622 e_1_1_4 = zeta*( c1*e_0_0_4 &
55623 +c2*e_1_0_4&
55624 +4*e_2_0_4 &
55625 )
55626 e_2_1_4 = zeta*( c1*e_1_0_4 &
55627 +c2*e_2_0_4&
55628 +6*e_3_0_4 &
55629 )
55630 e_3_1_4 = zeta*( c1*e_2_0_4 &
55631 +c2*e_3_0_4&
55632 +8*e_4_0_4 &
55633 )
55634 e_4_1_4 = zeta*( c1*e_3_0_4 &
55635 +c2*e_4_0_4&
55636
55637 )
55638 e_5_1_4 = zeta*( c1*e_4_0_4 &
55639
55640
55641 )
55642 e_0_2_4 = zeta*( &
55643 +c2*e_0_1_4&
55644 +2*e_1_1_4 &
55645 -2*e_0_0_4)
55646 e_1_2_4 = zeta*( c1*e_0_1_4 &
55647 +c2*e_1_1_4&
55648 +4*e_2_1_4 &
55649 -2*e_1_0_4)
55650 e_2_2_4 = zeta*( c1*e_1_1_4 &
55651 +c2*e_2_1_4&
55652 +6*e_3_1_4 &
55653 -2*e_2_0_4)
55654 e_3_2_4 = zeta*( c1*e_2_1_4 &
55655 +c2*e_3_1_4&
55656 +8*e_4_1_4 &
55657 -2*e_3_0_4)
55658 e_4_2_4 = zeta*( c1*e_3_1_4 &
55659 +c2*e_4_1_4&
55660 +10*e_5_1_4 &
55661 -2*e_4_0_4)
55662 e_5_2_4 = zeta*( c1*e_4_1_4 &
55663 +c2*e_5_1_4&
55664
55665 )
55666 e_6_2_4 = zeta*( c1*e_5_1_4 &
55667
55668
55669 )
55670 e_0_3_4 = zeta*( &
55671 +c2*e_0_2_4&
55672 +2*e_1_2_4 &
55673 -4*e_0_1_4)
55674 e_1_3_4 = zeta*( c1*e_0_2_4 &
55675 +c2*e_1_2_4&
55676 +4*e_2_2_4 &
55677 -4*e_1_1_4)
55678 e_2_3_4 = zeta*( c1*e_1_2_4 &
55679 +c2*e_2_2_4&
55680 +6*e_3_2_4 &
55681 -4*e_2_1_4)
55682 e_3_3_4 = zeta*( c1*e_2_2_4 &
55683 +c2*e_3_2_4&
55684 +8*e_4_2_4 &
55685 -4*e_3_1_4)
55686 e_4_3_4 = zeta*( c1*e_3_2_4 &
55687 +c2*e_4_2_4&
55688 +10*e_5_2_4 &
55689 -4*e_4_1_4)
55690 e_5_3_4 = zeta*( c1*e_4_2_4 &
55691 +c2*e_5_2_4&
55692 +12*e_6_2_4 &
55693 -4*e_5_1_4)
55694 e_6_3_4 = zeta*( c1*e_5_2_4 &
55695 +c2*e_6_2_4&
55696
55697 )
55698 e_7_3_4 = zeta*( c1*e_6_2_4 &
55699
55700
55701 )
55702 e_0_4_4 = zeta*( &
55703 +c2*e_0_3_4&
55704 +2*e_1_3_4 &
55705 -6*e_0_2_4)
55706 e_1_4_4 = zeta*( c1*e_0_3_4 &
55707 +c2*e_1_3_4&
55708 +4*e_2_3_4 &
55709 -6*e_1_2_4)
55710 e_2_4_4 = zeta*( c1*e_1_3_4 &
55711 +c2*e_2_3_4&
55712 +6*e_3_3_4 &
55713 -6*e_2_2_4)
55714 e_3_4_4 = zeta*( c1*e_2_3_4 &
55715 +c2*e_3_3_4&
55716 +8*e_4_3_4 &
55717 -6*e_3_2_4)
55718 e_4_4_4 = zeta*( c1*e_3_3_4 &
55719 +c2*e_4_3_4&
55720 +10*e_5_3_4 &
55721 -6*e_4_2_4)
55722 e_5_4_4 = zeta*( c1*e_4_3_4 &
55723 +c2*e_5_3_4&
55724 +12*e_6_3_4 &
55725 -6*e_5_2_4)
55726 e_6_4_4 = zeta*( c1*e_5_3_4 &
55727 +c2*e_6_3_4&
55728 +14*e_7_3_4 &
55729 -6*e_6_2_4)
55730 e_7_4_4 = zeta*( c1*e_6_3_4 &
55731 +c2*e_7_3_4&
55732
55733 )
55734 e_8_4_4 = zeta*( c1*e_7_3_4 &
55735
55736
55737 )
55738
55739 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
55740 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
55741 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
55742 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
55743 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
55744 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
55745 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
55746 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
55747 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
55748 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
55749 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
55750 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
55751 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
55752 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
55753 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
55754 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
55755 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
55756 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
55757 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
55758 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
55759 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
55760 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
55761 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
55762 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
55763 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
55764 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
55765 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
55766 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
55767 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
55768 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
55769 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
55770 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
55771 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
55772 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
55773 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
55774 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
55775 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
55776 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
55777 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
55778 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
55779 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
55780 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
55781 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
55782 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
55783 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
55784 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
55785 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
55786 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
55787 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
55788 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
55789 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
55790 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
55791 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
55792 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
55793 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
55794 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
55795 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
55796 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
55797 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
55798 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
55799 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
55800 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
55801 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
55802 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
55803 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
55804 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
55805 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
55806 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
55807 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
55808 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
55809 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
55810 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
55811 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
55812 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
55813 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
55814 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
55815 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
55816 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
55817 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
55818 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
55819 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
55820 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
55821 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
55822 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
55823 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
55824 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
55825 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
55826 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
55827 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
55828 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
55829 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
55830 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
55831 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
55832 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
55833 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
55834 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
55835 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
55836 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
55837 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
55838 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
55839 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
55840 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
55841 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
55842 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
55843 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
55844 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
55845 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
55846 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
55847 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
55848 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
55849 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
55850 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
55851 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
55852 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
55853 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
55854 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
55855 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
55856 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
55857 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
55858 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
55859 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
55860 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
55861 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
55862 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
55863 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
55864 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
55865 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
55866 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
55867 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
55868 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
55869 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
55870 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
55871 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
55872 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
55873 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
55874 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
55875 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
55876 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
55877 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
55878 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
55879 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
55880 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
55881 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
55882 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
55883 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
55884 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
55885 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
55886 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
55887 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
55888 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
55889 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
55890 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
55891 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
55892 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
55893 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
55894 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
55895 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
55896 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
55897 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
55898 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
55899 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
55900 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
55901 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
55902 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
55903 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
55904 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
55905 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
55906 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
55907 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
55908 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
55909 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
55910 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
55911 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
55912 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
55913 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
55914 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
55915 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
55916 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
55917 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
55918 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
55919 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
55920 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
55921 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
55922 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
55923 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
55924 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
55925 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
55926 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
55927 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
55928 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
55929 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
55930 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
55931 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
55932 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
55933 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
55934 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
55935 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
55936 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
55937 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
55938 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
55939 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
55940 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
55941 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
55942 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
55943 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
55944 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
55945 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
55946 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
55947 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
55948 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
55949 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
55950 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
55951 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
55952 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
55953 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
55954 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
55955 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
55956 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
55957 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
55958 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
55959 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
55960 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
55961 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
55962 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
55963 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
55964 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
55965 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
55966 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
55967 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
55968 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
55969 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
55970 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
55971 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
55972 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
55973 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
55974 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
55975 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
55976 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
55977 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
55978 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
55979 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
55980 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
55981 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
55982 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
55983 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
55984 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
55985 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
55986 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
55987 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
55988 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
55989 r1 = r1 + dr
55990 END DO
55991
55992 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
55993 END SUBROUTINE
55994 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_2_exp_0 ( &
55995 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
55996 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
55997 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
55998 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
55999 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
56000 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
56001 r_pow_t, r_tmp, rr1_delta, rr2_delta
56002
56003 REAL(kind=dp) :: c1, c2, c3
56004 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
56005 & s_r_t_10
56006 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
56007 & s_r_t2_9, s_r_t2_10
56008 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
56009 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
56010 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
56011 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
56012 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
56013 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
56014 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
56015 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
56016 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
56017 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
56018 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
56019 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
56020 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
56021 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
56022 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
56023 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
56024 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
56025
56026
56027 dr = lgth
56028 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
56029
56030 s_r(:, :, :) = 0.0_dp
56031
56032 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
56033
56034 h_to_c_0_0 = sqrt(alpha/pi)
56035
56036 h_to_c_0_1 = 0.0_dp
56037 h_to_c_1_1 = +2*alpha*h_to_c_0_0
56038 h_to_c_0_2 = -1*h_to_c_1_1
56039 h_to_c_1_2 = +2*alpha*h_to_c_0_1
56040 h_to_c_2_2 = +2*alpha*h_to_c_1_1
56041 h_to_c_0_3 = -1*h_to_c_1_2
56042 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
56043 h_to_c_2_3 = +2*alpha*h_to_c_1_2
56044 h_to_c_3_3 = +2*alpha*h_to_c_2_2
56045 h_to_c_0_4 = -1*h_to_c_1_3
56046 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
56047 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
56048 h_to_c_3_4 = +2*alpha*h_to_c_2_3
56049 h_to_c_4_4 = +2*alpha*h_to_c_3_3
56050 h_to_c_0_5 = -1*h_to_c_1_4
56051 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
56052 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
56053 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
56054 h_to_c_4_5 = +2*alpha*h_to_c_3_4
56055 h_to_c_5_5 = +2*alpha*h_to_c_4_4
56056 h_to_c_0_6 = -1*h_to_c_1_5
56057 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
56058 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
56059 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
56060 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
56061 h_to_c_5_6 = +2*alpha*h_to_c_4_5
56062 h_to_c_6_6 = +2*alpha*h_to_c_5_5
56063 h_to_c_0_7 = -1*h_to_c_1_6
56064 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
56065 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
56066 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
56067 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
56068 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
56069 h_to_c_6_7 = +2*alpha*h_to_c_5_6
56070 h_to_c_7_7 = +2*alpha*h_to_c_6_6
56071 h_to_c_0_8 = -1*h_to_c_1_7
56072 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
56073 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
56074 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
56075 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
56076 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
56077 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
56078 h_to_c_7_8 = +2*alpha*h_to_c_6_7
56079 h_to_c_8_8 = +2*alpha*h_to_c_7_7
56080 h_to_c_0_9 = -1*h_to_c_1_8
56081 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
56082 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
56083 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
56084 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
56085 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
56086 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
56087 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
56088 h_to_c_8_9 = +2*alpha*h_to_c_7_8
56089 h_to_c_9_9 = +2*alpha*h_to_c_8_8
56090 h_to_c_0_10 = -1*h_to_c_1_9
56091 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
56092 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
56093 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
56094 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
56095 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
56096 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
56097 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
56098 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
56099 h_to_c_9_10 = +2*alpha*h_to_c_8_9
56100 h_to_c_10_10 = +2*alpha*h_to_c_9_9
56101
56102
56103 rr1_delta = (ra - rb)/dr
56104
56105 rr1_l = ceiling(-r_c(1) + rr1_delta)
56106 rr1_r = floor(r_c(1) + rr1_delta)
56107
56108 r1 = rr1_l*dr
56109
56110 alpha_e = zeta*zetb/(zeta + zetb)
56111
56112 DO rr1 = rr1_l, rr1_r
56113 s_r_t_0 = 0.0_dp
56114 s_r_t2_0 = 0.0_dp
56115 s_r_t_1 = 0.0_dp
56116 s_r_t2_1 = 0.0_dp
56117 s_r_t_2 = 0.0_dp
56118 s_r_t2_2 = 0.0_dp
56119 s_r_t_3 = 0.0_dp
56120 s_r_t2_3 = 0.0_dp
56121 s_r_t_4 = 0.0_dp
56122 s_r_t2_4 = 0.0_dp
56123 s_r_t_5 = 0.0_dp
56124 s_r_t2_5 = 0.0_dp
56125 s_r_t_6 = 0.0_dp
56126 s_r_t2_6 = 0.0_dp
56127 s_r_t_7 = 0.0_dp
56128 s_r_t2_7 = 0.0_dp
56129 s_r_t_8 = 0.0_dp
56130 s_r_t2_8 = 0.0_dp
56131 s_r_t_9 = 0.0_dp
56132 s_r_t2_9 = 0.0_dp
56133 s_r_t_10 = 0.0_dp
56134 s_r_t2_10 = 0.0_dp
56135 r_tmp = r_offset + r1*zeta/(zeta + zetb)
56136 rr2_delta = -r_tmp/dr
56137
56138 rr2_l = ceiling(-r_c(2) + rr2_delta)
56139 rr2_r = floor(r_c(2) + rr2_delta)
56140
56141 r = r_tmp + (rr2_l)*dr
56142
56143
56144 DO rr2 = rr2_l, rr2_r
56145 r_pow_t = 1.0_dp
56146 exp2_rsq = exp(-alpha*r*r)
56147 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
56148 r_pow_t = r_pow_t*r
56149 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
56150 r_pow_t = r_pow_t*r
56151 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
56152 r_pow_t = r_pow_t*r
56153 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
56154 r_pow_t = r_pow_t*r
56155 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
56156 r_pow_t = r_pow_t*r
56157 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
56158 r_pow_t = r_pow_t*r
56159 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
56160 r_pow_t = r_pow_t*r
56161 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
56162 r_pow_t = r_pow_t*r
56163 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
56164 r_pow_t = r_pow_t*r
56165 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
56166 r_pow_t = r_pow_t*r
56167 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
56168
56169 r = r + dr
56170 END DO
56171
56172 ! C --> H
56173 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
56174 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
56175 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
56176 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
56177 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
56178 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
56179 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
56180 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
56181 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
56182 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
56183 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
56184 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
56185 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
56186 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
56187 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
56188 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
56189 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
56190 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
56191 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
56192 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
56193 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
56194 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
56195 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
56196 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
56197 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
56198 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
56199 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
56200 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
56201 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
56202 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
56203 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
56204 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
56205 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
56206 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
56207 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
56208 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
56209 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
56210 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
56211 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
56212 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
56213 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
56214 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
56215 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
56216 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
56217 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
56218 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
56219 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
56220 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
56221 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
56222 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
56223 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
56224 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
56225 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
56226 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
56227 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
56228 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
56229 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
56230 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
56231 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
56232 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
56233 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
56234 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
56235 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
56236 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
56237 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
56238 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
56239
56240 ! H --> HH
56241 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
56242
56243 c1 = 1.0_dp/(zeta + zetb)
56244 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
56245 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
56246
56247 e_0_1_0 = zeta*( &
56248 +c2*e_0_0_0&
56249
56250 )
56251 e_0_0_1 = zetb*( &
56252 +c3*e_0_0_0&
56253
56254 )
56255 e_1_1_0 = zeta*( c1*e_0_0_0 &
56256
56257
56258 )
56259 e_1_0_1 = zetb*( c1*e_0_0_0 &
56260
56261
56262 )
56263 e_0_2_0 = zeta*( &
56264 +c2*e_0_1_0&
56265 +2*e_1_1_0 &
56266 -2*e_0_0_0)
56267 e_0_1_1 = zetb*( &
56268 +c3*e_0_1_0&
56269 +2*e_1_1_0 &
56270 )
56271 e_1_2_0 = zeta*( c1*e_0_1_0 &
56272 +c2*e_1_1_0&
56273
56274 )
56275 e_1_1_1 = zetb*( c1*e_0_1_0 &
56276 +c3*e_1_1_0&
56277
56278 )
56279 e_2_2_0 = zeta*( c1*e_1_1_0 &
56280
56281
56282 )
56283 e_2_1_1 = zetb*( c1*e_1_1_0 &
56284
56285
56286 )
56287 e_0_3_0 = zeta*( &
56288 +c2*e_0_2_0&
56289 +2*e_1_2_0 &
56290 -4*e_0_1_0)
56291 e_0_2_1 = zetb*( &
56292 +c3*e_0_2_0&
56293 +2*e_1_2_0 &
56294 )
56295 e_1_3_0 = zeta*( c1*e_0_2_0 &
56296 +c2*e_1_2_0&
56297 +4*e_2_2_0 &
56298 -4*e_1_1_0)
56299 e_1_2_1 = zetb*( c1*e_0_2_0 &
56300 +c3*e_1_2_0&
56301 +4*e_2_2_0 &
56302 )
56303 e_2_3_0 = zeta*( c1*e_1_2_0 &
56304 +c2*e_2_2_0&
56305
56306 )
56307 e_2_2_1 = zetb*( c1*e_1_2_0 &
56308 +c3*e_2_2_0&
56309
56310 )
56311 e_3_3_0 = zeta*( c1*e_2_2_0 &
56312
56313
56314 )
56315 e_3_2_1 = zetb*( c1*e_2_2_0 &
56316
56317
56318 )
56319 e_0_4_0 = zeta*( &
56320 +c2*e_0_3_0&
56321 +2*e_1_3_0 &
56322 -6*e_0_2_0)
56323 e_0_3_1 = zetb*( &
56324 +c3*e_0_3_0&
56325 +2*e_1_3_0 &
56326 )
56327 e_1_4_0 = zeta*( c1*e_0_3_0 &
56328 +c2*e_1_3_0&
56329 +4*e_2_3_0 &
56330 -6*e_1_2_0)
56331 e_1_3_1 = zetb*( c1*e_0_3_0 &
56332 +c3*e_1_3_0&
56333 +4*e_2_3_0 &
56334 )
56335 e_2_4_0 = zeta*( c1*e_1_3_0 &
56336 +c2*e_2_3_0&
56337 +6*e_3_3_0 &
56338 -6*e_2_2_0)
56339 e_2_3_1 = zetb*( c1*e_1_3_0 &
56340 +c3*e_2_3_0&
56341 +6*e_3_3_0 &
56342 )
56343 e_3_4_0 = zeta*( c1*e_2_3_0 &
56344 +c2*e_3_3_0&
56345
56346 )
56347 e_3_3_1 = zetb*( c1*e_2_3_0 &
56348 +c3*e_3_3_0&
56349
56350 )
56351 e_4_4_0 = zeta*( c1*e_3_3_0 &
56352
56353
56354 )
56355 e_4_3_1 = zetb*( c1*e_3_3_0 &
56356
56357
56358 )
56359 e_0_4_1 = zetb*( &
56360 +c3*e_0_4_0&
56361 +2*e_1_4_0 &
56362 )
56363 e_1_4_1 = zetb*( c1*e_0_4_0 &
56364 +c3*e_1_4_0&
56365 +4*e_2_4_0 &
56366 )
56367 e_2_4_1 = zetb*( c1*e_1_4_0 &
56368 +c3*e_2_4_0&
56369 +6*e_3_4_0 &
56370 )
56371 e_3_4_1 = zetb*( c1*e_2_4_0 &
56372 +c3*e_3_4_0&
56373 +8*e_4_4_0 &
56374 )
56375 e_4_4_1 = zetb*( c1*e_3_4_0 &
56376 +c3*e_4_4_0&
56377
56378 )
56379 e_5_4_1 = zetb*( c1*e_4_4_0 &
56380
56381
56382 )
56383 e_0_1_1 = zeta*( &
56384 +c2*e_0_0_1&
56385 +2*e_1_0_1 &
56386 )
56387 e_0_0_2 = zetb*( &
56388 +c3*e_0_0_1&
56389 +2*e_1_0_1 &
56390 -2*e_0_0_0)
56391 e_1_1_1 = zeta*( c1*e_0_0_1 &
56392 +c2*e_1_0_1&
56393
56394 )
56395 e_1_0_2 = zetb*( c1*e_0_0_1 &
56396 +c3*e_1_0_1&
56397
56398 )
56399 e_2_1_1 = zeta*( c1*e_1_0_1 &
56400
56401
56402 )
56403 e_2_0_2 = zetb*( c1*e_1_0_1 &
56404
56405
56406 )
56407 e_0_2_1 = zeta*( &
56408 +c2*e_0_1_1&
56409 +2*e_1_1_1 &
56410 -2*e_0_0_1)
56411 e_0_1_2 = zetb*( &
56412 +c3*e_0_1_1&
56413 +2*e_1_1_1 &
56414 -2*e_0_1_0)
56415 e_1_2_1 = zeta*( c1*e_0_1_1 &
56416 +c2*e_1_1_1&
56417 +4*e_2_1_1 &
56418 -2*e_1_0_1)
56419 e_1_1_2 = zetb*( c1*e_0_1_1 &
56420 +c3*e_1_1_1&
56421 +4*e_2_1_1 &
56422 -2*e_1_1_0)
56423 e_2_2_1 = zeta*( c1*e_1_1_1 &
56424 +c2*e_2_1_1&
56425
56426 )
56427 e_2_1_2 = zetb*( c1*e_1_1_1 &
56428 +c3*e_2_1_1&
56429
56430 )
56431 e_3_2_1 = zeta*( c1*e_2_1_1 &
56432
56433
56434 )
56435 e_3_1_2 = zetb*( c1*e_2_1_1 &
56436
56437
56438 )
56439 e_0_3_1 = zeta*( &
56440 +c2*e_0_2_1&
56441 +2*e_1_2_1 &
56442 -4*e_0_1_1)
56443 e_0_2_2 = zetb*( &
56444 +c3*e_0_2_1&
56445 +2*e_1_2_1 &
56446 -2*e_0_2_0)
56447 e_1_3_1 = zeta*( c1*e_0_2_1 &
56448 +c2*e_1_2_1&
56449 +4*e_2_2_1 &
56450 -4*e_1_1_1)
56451 e_1_2_2 = zetb*( c1*e_0_2_1 &
56452 +c3*e_1_2_1&
56453 +4*e_2_2_1 &
56454 -2*e_1_2_0)
56455 e_2_3_1 = zeta*( c1*e_1_2_1 &
56456 +c2*e_2_2_1&
56457 +6*e_3_2_1 &
56458 -4*e_2_1_1)
56459 e_2_2_2 = zetb*( c1*e_1_2_1 &
56460 +c3*e_2_2_1&
56461 +6*e_3_2_1 &
56462 -2*e_2_2_0)
56463 e_3_3_1 = zeta*( c1*e_2_2_1 &
56464 +c2*e_3_2_1&
56465
56466 )
56467 e_3_2_2 = zetb*( c1*e_2_2_1 &
56468 +c3*e_3_2_1&
56469
56470 )
56471 e_4_3_1 = zeta*( c1*e_3_2_1 &
56472
56473
56474 )
56475 e_4_2_2 = zetb*( c1*e_3_2_1 &
56476
56477
56478 )
56479 e_0_4_1 = zeta*( &
56480 +c2*e_0_3_1&
56481 +2*e_1_3_1 &
56482 -6*e_0_2_1)
56483 e_0_3_2 = zetb*( &
56484 +c3*e_0_3_1&
56485 +2*e_1_3_1 &
56486 -2*e_0_3_0)
56487 e_1_4_1 = zeta*( c1*e_0_3_1 &
56488 +c2*e_1_3_1&
56489 +4*e_2_3_1 &
56490 -6*e_1_2_1)
56491 e_1_3_2 = zetb*( c1*e_0_3_1 &
56492 +c3*e_1_3_1&
56493 +4*e_2_3_1 &
56494 -2*e_1_3_0)
56495 e_2_4_1 = zeta*( c1*e_1_3_1 &
56496 +c2*e_2_3_1&
56497 +6*e_3_3_1 &
56498 -6*e_2_2_1)
56499 e_2_3_2 = zetb*( c1*e_1_3_1 &
56500 +c3*e_2_3_1&
56501 +6*e_3_3_1 &
56502 -2*e_2_3_0)
56503 e_3_4_1 = zeta*( c1*e_2_3_1 &
56504 +c2*e_3_3_1&
56505 +8*e_4_3_1 &
56506 -6*e_3_2_1)
56507 e_3_3_2 = zetb*( c1*e_2_3_1 &
56508 +c3*e_3_3_1&
56509 +8*e_4_3_1 &
56510 -2*e_3_3_0)
56511 e_4_4_1 = zeta*( c1*e_3_3_1 &
56512 +c2*e_4_3_1&
56513
56514 )
56515 e_4_3_2 = zetb*( c1*e_3_3_1 &
56516 +c3*e_4_3_1&
56517
56518 )
56519 e_5_4_1 = zeta*( c1*e_4_3_1 &
56520
56521
56522 )
56523 e_5_3_2 = zetb*( c1*e_4_3_1 &
56524
56525
56526 )
56527 e_0_4_2 = zetb*( &
56528 +c3*e_0_4_1&
56529 +2*e_1_4_1 &
56530 -2*e_0_4_0)
56531 e_1_4_2 = zetb*( c1*e_0_4_1 &
56532 +c3*e_1_4_1&
56533 +4*e_2_4_1 &
56534 -2*e_1_4_0)
56535 e_2_4_2 = zetb*( c1*e_1_4_1 &
56536 +c3*e_2_4_1&
56537 +6*e_3_4_1 &
56538 -2*e_2_4_0)
56539 e_3_4_2 = zetb*( c1*e_2_4_1 &
56540 +c3*e_3_4_1&
56541 +8*e_4_4_1 &
56542 -2*e_3_4_0)
56543 e_4_4_2 = zetb*( c1*e_3_4_1 &
56544 +c3*e_4_4_1&
56545 +10*e_5_4_1 &
56546 -2*e_4_4_0)
56547 e_5_4_2 = zetb*( c1*e_4_4_1 &
56548 +c3*e_5_4_1&
56549
56550 )
56551 e_6_4_2 = zetb*( c1*e_5_4_1 &
56552
56553
56554 )
56555 e_0_1_2 = zeta*( &
56556 +c2*e_0_0_2&
56557 +2*e_1_0_2 &
56558 )
56559 e_0_0_3 = zetb*( &
56560 +c3*e_0_0_2&
56561 +2*e_1_0_2 &
56562 -4*e_0_0_1)
56563 e_1_1_2 = zeta*( c1*e_0_0_2 &
56564 +c2*e_1_0_2&
56565 +4*e_2_0_2 &
56566 )
56567 e_1_0_3 = zetb*( c1*e_0_0_2 &
56568 +c3*e_1_0_2&
56569 +4*e_2_0_2 &
56570 -4*e_1_0_1)
56571 e_2_1_2 = zeta*( c1*e_1_0_2 &
56572 +c2*e_2_0_2&
56573
56574 )
56575 e_2_0_3 = zetb*( c1*e_1_0_2 &
56576 +c3*e_2_0_2&
56577
56578 )
56579 e_3_1_2 = zeta*( c1*e_2_0_2 &
56580
56581
56582 )
56583 e_3_0_3 = zetb*( c1*e_2_0_2 &
56584
56585
56586 )
56587 e_0_2_2 = zeta*( &
56588 +c2*e_0_1_2&
56589 +2*e_1_1_2 &
56590 -2*e_0_0_2)
56591 e_0_1_3 = zetb*( &
56592 +c3*e_0_1_2&
56593 +2*e_1_1_2 &
56594 -4*e_0_1_1)
56595 e_1_2_2 = zeta*( c1*e_0_1_2 &
56596 +c2*e_1_1_2&
56597 +4*e_2_1_2 &
56598 -2*e_1_0_2)
56599 e_1_1_3 = zetb*( c1*e_0_1_2 &
56600 +c3*e_1_1_2&
56601 +4*e_2_1_2 &
56602 -4*e_1_1_1)
56603 e_2_2_2 = zeta*( c1*e_1_1_2 &
56604 +c2*e_2_1_2&
56605 +6*e_3_1_2 &
56606 -2*e_2_0_2)
56607 e_2_1_3 = zetb*( c1*e_1_1_2 &
56608 +c3*e_2_1_2&
56609 +6*e_3_1_2 &
56610 -4*e_2_1_1)
56611 e_3_2_2 = zeta*( c1*e_2_1_2 &
56612 +c2*e_3_1_2&
56613
56614 )
56615 e_3_1_3 = zetb*( c1*e_2_1_2 &
56616 +c3*e_3_1_2&
56617
56618 )
56619 e_4_2_2 = zeta*( c1*e_3_1_2 &
56620
56621
56622 )
56623 e_4_1_3 = zetb*( c1*e_3_1_2 &
56624
56625
56626 )
56627 e_0_3_2 = zeta*( &
56628 +c2*e_0_2_2&
56629 +2*e_1_2_2 &
56630 -4*e_0_1_2)
56631 e_0_2_3 = zetb*( &
56632 +c3*e_0_2_2&
56633 +2*e_1_2_2 &
56634 -4*e_0_2_1)
56635 e_1_3_2 = zeta*( c1*e_0_2_2 &
56636 +c2*e_1_2_2&
56637 +4*e_2_2_2 &
56638 -4*e_1_1_2)
56639 e_1_2_3 = zetb*( c1*e_0_2_2 &
56640 +c3*e_1_2_2&
56641 +4*e_2_2_2 &
56642 -4*e_1_2_1)
56643 e_2_3_2 = zeta*( c1*e_1_2_2 &
56644 +c2*e_2_2_2&
56645 +6*e_3_2_2 &
56646 -4*e_2_1_2)
56647 e_2_2_3 = zetb*( c1*e_1_2_2 &
56648 +c3*e_2_2_2&
56649 +6*e_3_2_2 &
56650 -4*e_2_2_1)
56651 e_3_3_2 = zeta*( c1*e_2_2_2 &
56652 +c2*e_3_2_2&
56653 +8*e_4_2_2 &
56654 -4*e_3_1_2)
56655 e_3_2_3 = zetb*( c1*e_2_2_2 &
56656 +c3*e_3_2_2&
56657 +8*e_4_2_2 &
56658 -4*e_3_2_1)
56659 e_4_3_2 = zeta*( c1*e_3_2_2 &
56660 +c2*e_4_2_2&
56661
56662 )
56663 e_4_2_3 = zetb*( c1*e_3_2_2 &
56664 +c3*e_4_2_2&
56665
56666 )
56667 e_5_3_2 = zeta*( c1*e_4_2_2 &
56668
56669
56670 )
56671 e_5_2_3 = zetb*( c1*e_4_2_2 &
56672
56673
56674 )
56675 e_0_4_2 = zeta*( &
56676 +c2*e_0_3_2&
56677 +2*e_1_3_2 &
56678 -6*e_0_2_2)
56679 e_0_3_3 = zetb*( &
56680 +c3*e_0_3_2&
56681 +2*e_1_3_2 &
56682 -4*e_0_3_1)
56683 e_1_4_2 = zeta*( c1*e_0_3_2 &
56684 +c2*e_1_3_2&
56685 +4*e_2_3_2 &
56686 -6*e_1_2_2)
56687 e_1_3_3 = zetb*( c1*e_0_3_2 &
56688 +c3*e_1_3_2&
56689 +4*e_2_3_2 &
56690 -4*e_1_3_1)
56691 e_2_4_2 = zeta*( c1*e_1_3_2 &
56692 +c2*e_2_3_2&
56693 +6*e_3_3_2 &
56694 -6*e_2_2_2)
56695 e_2_3_3 = zetb*( c1*e_1_3_2 &
56696 +c3*e_2_3_2&
56697 +6*e_3_3_2 &
56698 -4*e_2_3_1)
56699 e_3_4_2 = zeta*( c1*e_2_3_2 &
56700 +c2*e_3_3_2&
56701 +8*e_4_3_2 &
56702 -6*e_3_2_2)
56703 e_3_3_3 = zetb*( c1*e_2_3_2 &
56704 +c3*e_3_3_2&
56705 +8*e_4_3_2 &
56706 -4*e_3_3_1)
56707 e_4_4_2 = zeta*( c1*e_3_3_2 &
56708 +c2*e_4_3_2&
56709 +10*e_5_3_2 &
56710 -6*e_4_2_2)
56711 e_4_3_3 = zetb*( c1*e_3_3_2 &
56712 +c3*e_4_3_2&
56713 +10*e_5_3_2 &
56714 -4*e_4_3_1)
56715 e_5_4_2 = zeta*( c1*e_4_3_2 &
56716 +c2*e_5_3_2&
56717
56718 )
56719 e_5_3_3 = zetb*( c1*e_4_3_2 &
56720 +c3*e_5_3_2&
56721
56722 )
56723 e_6_4_2 = zeta*( c1*e_5_3_2 &
56724
56725
56726 )
56727 e_6_3_3 = zetb*( c1*e_5_3_2 &
56728
56729
56730 )
56731 e_0_4_3 = zetb*( &
56732 +c3*e_0_4_2&
56733 +2*e_1_4_2 &
56734 -4*e_0_4_1)
56735 e_1_4_3 = zetb*( c1*e_0_4_2 &
56736 +c3*e_1_4_2&
56737 +4*e_2_4_2 &
56738 -4*e_1_4_1)
56739 e_2_4_3 = zetb*( c1*e_1_4_2 &
56740 +c3*e_2_4_2&
56741 +6*e_3_4_2 &
56742 -4*e_2_4_1)
56743 e_3_4_3 = zetb*( c1*e_2_4_2 &
56744 +c3*e_3_4_2&
56745 +8*e_4_4_2 &
56746 -4*e_3_4_1)
56747 e_4_4_3 = zetb*( c1*e_3_4_2 &
56748 +c3*e_4_4_2&
56749 +10*e_5_4_2 &
56750 -4*e_4_4_1)
56751 e_5_4_3 = zetb*( c1*e_4_4_2 &
56752 +c3*e_5_4_2&
56753 +12*e_6_4_2 &
56754 -4*e_5_4_1)
56755 e_6_4_3 = zetb*( c1*e_5_4_2 &
56756 +c3*e_6_4_2&
56757
56758 )
56759 e_7_4_3 = zetb*( c1*e_6_4_2 &
56760
56761
56762 )
56763 e_0_1_3 = zeta*( &
56764 +c2*e_0_0_3&
56765 +2*e_1_0_3 &
56766 )
56767 e_0_0_4 = zetb*( &
56768 +c3*e_0_0_3&
56769 +2*e_1_0_3 &
56770 -6*e_0_0_2)
56771 e_1_1_3 = zeta*( c1*e_0_0_3 &
56772 +c2*e_1_0_3&
56773 +4*e_2_0_3 &
56774 )
56775 e_1_0_4 = zetb*( c1*e_0_0_3 &
56776 +c3*e_1_0_3&
56777 +4*e_2_0_3 &
56778 -6*e_1_0_2)
56779 e_2_1_3 = zeta*( c1*e_1_0_3 &
56780 +c2*e_2_0_3&
56781 +6*e_3_0_3 &
56782 )
56783 e_2_0_4 = zetb*( c1*e_1_0_3 &
56784 +c3*e_2_0_3&
56785 +6*e_3_0_3 &
56786 -6*e_2_0_2)
56787 e_3_1_3 = zeta*( c1*e_2_0_3 &
56788 +c2*e_3_0_3&
56789
56790 )
56791 e_3_0_4 = zetb*( c1*e_2_0_3 &
56792 +c3*e_3_0_3&
56793
56794 )
56795 e_4_1_3 = zeta*( c1*e_3_0_3 &
56796
56797
56798 )
56799 e_4_0_4 = zetb*( c1*e_3_0_3 &
56800
56801
56802 )
56803 e_0_2_3 = zeta*( &
56804 +c2*e_0_1_3&
56805 +2*e_1_1_3 &
56806 -2*e_0_0_3)
56807 e_0_1_4 = zetb*( &
56808 +c3*e_0_1_3&
56809 +2*e_1_1_3 &
56810 -6*e_0_1_2)
56811 e_1_2_3 = zeta*( c1*e_0_1_3 &
56812 +c2*e_1_1_3&
56813 +4*e_2_1_3 &
56814 -2*e_1_0_3)
56815 e_1_1_4 = zetb*( c1*e_0_1_3 &
56816 +c3*e_1_1_3&
56817 +4*e_2_1_3 &
56818 -6*e_1_1_2)
56819 e_2_2_3 = zeta*( c1*e_1_1_3 &
56820 +c2*e_2_1_3&
56821 +6*e_3_1_3 &
56822 -2*e_2_0_3)
56823 e_2_1_4 = zetb*( c1*e_1_1_3 &
56824 +c3*e_2_1_3&
56825 +6*e_3_1_3 &
56826 -6*e_2_1_2)
56827 e_3_2_3 = zeta*( c1*e_2_1_3 &
56828 +c2*e_3_1_3&
56829 +8*e_4_1_3 &
56830 -2*e_3_0_3)
56831 e_3_1_4 = zetb*( c1*e_2_1_3 &
56832 +c3*e_3_1_3&
56833 +8*e_4_1_3 &
56834 -6*e_3_1_2)
56835 e_4_2_3 = zeta*( c1*e_3_1_3 &
56836 +c2*e_4_1_3&
56837
56838 )
56839 e_4_1_4 = zetb*( c1*e_3_1_3 &
56840 +c3*e_4_1_3&
56841
56842 )
56843 e_5_2_3 = zeta*( c1*e_4_1_3 &
56844
56845
56846 )
56847 e_5_1_4 = zetb*( c1*e_4_1_3 &
56848
56849
56850 )
56851 e_0_3_3 = zeta*( &
56852 +c2*e_0_2_3&
56853 +2*e_1_2_3 &
56854 -4*e_0_1_3)
56855 e_0_2_4 = zetb*( &
56856 +c3*e_0_2_3&
56857 +2*e_1_2_3 &
56858 -6*e_0_2_2)
56859 e_1_3_3 = zeta*( c1*e_0_2_3 &
56860 +c2*e_1_2_3&
56861 +4*e_2_2_3 &
56862 -4*e_1_1_3)
56863 e_1_2_4 = zetb*( c1*e_0_2_3 &
56864 +c3*e_1_2_3&
56865 +4*e_2_2_3 &
56866 -6*e_1_2_2)
56867 e_2_3_3 = zeta*( c1*e_1_2_3 &
56868 +c2*e_2_2_3&
56869 +6*e_3_2_3 &
56870 -4*e_2_1_3)
56871 e_2_2_4 = zetb*( c1*e_1_2_3 &
56872 +c3*e_2_2_3&
56873 +6*e_3_2_3 &
56874 -6*e_2_2_2)
56875 e_3_3_3 = zeta*( c1*e_2_2_3 &
56876 +c2*e_3_2_3&
56877 +8*e_4_2_3 &
56878 -4*e_3_1_3)
56879 e_3_2_4 = zetb*( c1*e_2_2_3 &
56880 +c3*e_3_2_3&
56881 +8*e_4_2_3 &
56882 -6*e_3_2_2)
56883 e_4_3_3 = zeta*( c1*e_3_2_3 &
56884 +c2*e_4_2_3&
56885 +10*e_5_2_3 &
56886 -4*e_4_1_3)
56887 e_4_2_4 = zetb*( c1*e_3_2_3 &
56888 +c3*e_4_2_3&
56889 +10*e_5_2_3 &
56890 -6*e_4_2_2)
56891 e_5_3_3 = zeta*( c1*e_4_2_3 &
56892 +c2*e_5_2_3&
56893
56894 )
56895 e_5_2_4 = zetb*( c1*e_4_2_3 &
56896 +c3*e_5_2_3&
56897
56898 )
56899 e_6_3_3 = zeta*( c1*e_5_2_3 &
56900
56901
56902 )
56903 e_6_2_4 = zetb*( c1*e_5_2_3 &
56904
56905
56906 )
56907 e_0_4_3 = zeta*( &
56908 +c2*e_0_3_3&
56909 +2*e_1_3_3 &
56910 -6*e_0_2_3)
56911 e_0_3_4 = zetb*( &
56912 +c3*e_0_3_3&
56913 +2*e_1_3_3 &
56914 -6*e_0_3_2)
56915 e_1_4_3 = zeta*( c1*e_0_3_3 &
56916 +c2*e_1_3_3&
56917 +4*e_2_3_3 &
56918 -6*e_1_2_3)
56919 e_1_3_4 = zetb*( c1*e_0_3_3 &
56920 +c3*e_1_3_3&
56921 +4*e_2_3_3 &
56922 -6*e_1_3_2)
56923 e_2_4_3 = zeta*( c1*e_1_3_3 &
56924 +c2*e_2_3_3&
56925 +6*e_3_3_3 &
56926 -6*e_2_2_3)
56927 e_2_3_4 = zetb*( c1*e_1_3_3 &
56928 +c3*e_2_3_3&
56929 +6*e_3_3_3 &
56930 -6*e_2_3_2)
56931 e_3_4_3 = zeta*( c1*e_2_3_3 &
56932 +c2*e_3_3_3&
56933 +8*e_4_3_3 &
56934 -6*e_3_2_3)
56935 e_3_3_4 = zetb*( c1*e_2_3_3 &
56936 +c3*e_3_3_3&
56937 +8*e_4_3_3 &
56938 -6*e_3_3_2)
56939 e_4_4_3 = zeta*( c1*e_3_3_3 &
56940 +c2*e_4_3_3&
56941 +10*e_5_3_3 &
56942 -6*e_4_2_3)
56943 e_4_3_4 = zetb*( c1*e_3_3_3 &
56944 +c3*e_4_3_3&
56945 +10*e_5_3_3 &
56946 -6*e_4_3_2)
56947 e_5_4_3 = zeta*( c1*e_4_3_3 &
56948 +c2*e_5_3_3&
56949 +12*e_6_3_3 &
56950 -6*e_5_2_3)
56951 e_5_3_4 = zetb*( c1*e_4_3_3 &
56952 +c3*e_5_3_3&
56953 +12*e_6_3_3 &
56954 -6*e_5_3_2)
56955 e_6_4_3 = zeta*( c1*e_5_3_3 &
56956 +c2*e_6_3_3&
56957
56958 )
56959 e_6_3_4 = zetb*( c1*e_5_3_3 &
56960 +c3*e_6_3_3&
56961
56962 )
56963 e_7_4_3 = zeta*( c1*e_6_3_3 &
56964
56965
56966 )
56967 e_7_3_4 = zetb*( c1*e_6_3_3 &
56968
56969
56970 )
56971 e_0_4_4 = zetb*( &
56972 +c3*e_0_4_3&
56973 +2*e_1_4_3 &
56974 -6*e_0_4_2)
56975 e_1_4_4 = zetb*( c1*e_0_4_3 &
56976 +c3*e_1_4_3&
56977 +4*e_2_4_3 &
56978 -6*e_1_4_2)
56979 e_2_4_4 = zetb*( c1*e_1_4_3 &
56980 +c3*e_2_4_3&
56981 +6*e_3_4_3 &
56982 -6*e_2_4_2)
56983 e_3_4_4 = zetb*( c1*e_2_4_3 &
56984 +c3*e_3_4_3&
56985 +8*e_4_4_3 &
56986 -6*e_3_4_2)
56987 e_4_4_4 = zetb*( c1*e_3_4_3 &
56988 +c3*e_4_4_3&
56989 +10*e_5_4_3 &
56990 -6*e_4_4_2)
56991 e_5_4_4 = zetb*( c1*e_4_4_3 &
56992 +c3*e_5_4_3&
56993 +12*e_6_4_3 &
56994 -6*e_5_4_2)
56995 e_6_4_4 = zetb*( c1*e_5_4_3 &
56996 +c3*e_6_4_3&
56997 +14*e_7_4_3 &
56998 -6*e_6_4_2)
56999 e_7_4_4 = zetb*( c1*e_6_4_3 &
57000 +c3*e_7_4_3&
57001
57002 )
57003 e_8_4_4 = zetb*( c1*e_7_4_3 &
57004
57005
57006 )
57007 e_0_1_4 = zeta*( &
57008 +c2*e_0_0_4&
57009 +2*e_1_0_4 &
57010 )
57011 e_1_1_4 = zeta*( c1*e_0_0_4 &
57012 +c2*e_1_0_4&
57013 +4*e_2_0_4 &
57014 )
57015 e_2_1_4 = zeta*( c1*e_1_0_4 &
57016 +c2*e_2_0_4&
57017 +6*e_3_0_4 &
57018 )
57019 e_3_1_4 = zeta*( c1*e_2_0_4 &
57020 +c2*e_3_0_4&
57021 +8*e_4_0_4 &
57022 )
57023 e_4_1_4 = zeta*( c1*e_3_0_4 &
57024 +c2*e_4_0_4&
57025
57026 )
57027 e_5_1_4 = zeta*( c1*e_4_0_4 &
57028
57029
57030 )
57031 e_0_2_4 = zeta*( &
57032 +c2*e_0_1_4&
57033 +2*e_1_1_4 &
57034 -2*e_0_0_4)
57035 e_1_2_4 = zeta*( c1*e_0_1_4 &
57036 +c2*e_1_1_4&
57037 +4*e_2_1_4 &
57038 -2*e_1_0_4)
57039 e_2_2_4 = zeta*( c1*e_1_1_4 &
57040 +c2*e_2_1_4&
57041 +6*e_3_1_4 &
57042 -2*e_2_0_4)
57043 e_3_2_4 = zeta*( c1*e_2_1_4 &
57044 +c2*e_3_1_4&
57045 +8*e_4_1_4 &
57046 -2*e_3_0_4)
57047 e_4_2_4 = zeta*( c1*e_3_1_4 &
57048 +c2*e_4_1_4&
57049 +10*e_5_1_4 &
57050 -2*e_4_0_4)
57051 e_5_2_4 = zeta*( c1*e_4_1_4 &
57052 +c2*e_5_1_4&
57053
57054 )
57055 e_6_2_4 = zeta*( c1*e_5_1_4 &
57056
57057
57058 )
57059 e_0_3_4 = zeta*( &
57060 +c2*e_0_2_4&
57061 +2*e_1_2_4 &
57062 -4*e_0_1_4)
57063 e_1_3_4 = zeta*( c1*e_0_2_4 &
57064 +c2*e_1_2_4&
57065 +4*e_2_2_4 &
57066 -4*e_1_1_4)
57067 e_2_3_4 = zeta*( c1*e_1_2_4 &
57068 +c2*e_2_2_4&
57069 +6*e_3_2_4 &
57070 -4*e_2_1_4)
57071 e_3_3_4 = zeta*( c1*e_2_2_4 &
57072 +c2*e_3_2_4&
57073 +8*e_4_2_4 &
57074 -4*e_3_1_4)
57075 e_4_3_4 = zeta*( c1*e_3_2_4 &
57076 +c2*e_4_2_4&
57077 +10*e_5_2_4 &
57078 -4*e_4_1_4)
57079 e_5_3_4 = zeta*( c1*e_4_2_4 &
57080 +c2*e_5_2_4&
57081 +12*e_6_2_4 &
57082 -4*e_5_1_4)
57083 e_6_3_4 = zeta*( c1*e_5_2_4 &
57084 +c2*e_6_2_4&
57085
57086 )
57087 e_7_3_4 = zeta*( c1*e_6_2_4 &
57088
57089
57090 )
57091 e_0_4_4 = zeta*( &
57092 +c2*e_0_3_4&
57093 +2*e_1_3_4 &
57094 -6*e_0_2_4)
57095 e_1_4_4 = zeta*( c1*e_0_3_4 &
57096 +c2*e_1_3_4&
57097 +4*e_2_3_4 &
57098 -6*e_1_2_4)
57099 e_2_4_4 = zeta*( c1*e_1_3_4 &
57100 +c2*e_2_3_4&
57101 +6*e_3_3_4 &
57102 -6*e_2_2_4)
57103 e_3_4_4 = zeta*( c1*e_2_3_4 &
57104 +c2*e_3_3_4&
57105 +8*e_4_3_4 &
57106 -6*e_3_2_4)
57107 e_4_4_4 = zeta*( c1*e_3_3_4 &
57108 +c2*e_4_3_4&
57109 +10*e_5_3_4 &
57110 -6*e_4_2_4)
57111 e_5_4_4 = zeta*( c1*e_4_3_4 &
57112 +c2*e_5_3_4&
57113 +12*e_6_3_4 &
57114 -6*e_5_2_4)
57115 e_6_4_4 = zeta*( c1*e_5_3_4 &
57116 +c2*e_6_3_4&
57117 +14*e_7_3_4 &
57118 -6*e_6_2_4)
57119 e_7_4_4 = zeta*( c1*e_6_3_4 &
57120 +c2*e_7_3_4&
57121
57122 )
57123 e_8_4_4 = zeta*( c1*e_7_3_4 &
57124
57125
57126 )
57127
57128 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
57129 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
57130 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
57131 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
57132 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
57133 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
57134 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
57135 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
57136 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
57137 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
57138 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
57139 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
57140 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
57141 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
57142 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
57143 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
57144 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
57145 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
57146 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
57147 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
57148 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
57149 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
57150 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
57151 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
57152 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
57153 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
57154 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
57155 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
57156 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
57157 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
57158 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
57159 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
57160 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
57161 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
57162 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
57163 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
57164 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
57165 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
57166 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
57167 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
57168 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
57169 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
57170 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
57171 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
57172 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
57173 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
57174 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
57175 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
57176 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
57177 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
57178 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
57179 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
57180 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
57181 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
57182 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
57183 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
57184 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
57185 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
57186 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
57187 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
57188 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
57189 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
57190 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
57191 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
57192 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
57193 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
57194 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
57195 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
57196 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
57197 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
57198 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
57199 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
57200 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
57201 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
57202 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
57203 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
57204 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
57205 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
57206 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
57207 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
57208 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
57209 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
57210 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
57211 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
57212 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
57213 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
57214 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
57215 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
57216 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
57217 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
57218 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
57219 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
57220 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
57221 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
57222 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
57223 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
57224 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
57225 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
57226 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
57227 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
57228 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
57229 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
57230 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
57231 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
57232 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
57233 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
57234 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
57235 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
57236 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
57237 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
57238 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
57239 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
57240 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
57241 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
57242 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
57243 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
57244 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
57245 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
57246 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
57247 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
57248 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
57249 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
57250 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
57251 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
57252 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
57253 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
57254 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
57255 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
57256 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
57257 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
57258 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
57259 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
57260 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
57261 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
57262 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
57263 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
57264 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
57265 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
57266 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
57267 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
57268 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
57269 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
57270 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
57271 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
57272 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
57273 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
57274 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
57275 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
57276 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
57277 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
57278 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
57279 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
57280 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
57281 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
57282 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
57283 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
57284 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
57285 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
57286 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
57287 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
57288 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
57289 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
57290 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
57291 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
57292 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
57293 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
57294 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
57295 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
57296 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
57297 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
57298 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
57299 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
57300 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
57301 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
57302 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
57303 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
57304 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
57305 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
57306 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
57307 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
57308 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
57309 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
57310 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
57311 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
57312 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
57313 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
57314 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
57315 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
57316 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
57317 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
57318 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
57319 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
57320 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
57321 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
57322 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
57323 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
57324 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
57325 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
57326 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
57327 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
57328 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
57329 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
57330 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
57331 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
57332 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
57333 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
57334 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
57335 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
57336 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
57337 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
57338 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
57339 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
57340 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
57341 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
57342 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
57343 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
57344 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
57345 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
57346 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
57347 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
57348 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
57349 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
57350 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
57351 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
57352 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
57353 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
57354 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
57355 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
57356 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
57357 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
57358 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
57359 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
57360 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
57361 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
57362 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
57363 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
57364 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
57365 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
57366 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
57367 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
57368 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
57369 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
57370 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
57371 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
57372 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
57373 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
57374 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
57375 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
57376 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
57377 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
57378 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
57379 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
57380 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
57381 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
57382 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
57383 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
57384 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
57385 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
57386 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
57387 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
57388 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
57389 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
57390 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
57391 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
57392 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
57393 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
57394 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
57395 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
57396 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
57397 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
57398 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
57399 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
57400 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
57401 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
57402 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
57403 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
57404 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
57405 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
57406 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
57407 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
57408 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
57409 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
57410 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
57411 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
57412 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
57413 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
57414 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
57415 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
57416 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
57417 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
57418 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
57419 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
57420 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
57421 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
57422 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
57423 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
57424 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
57425 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
57426 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
57427 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
57428 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
57429 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
57430 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
57431 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
57432 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
57433 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
57434 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
57435 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
57436 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
57437 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
57438 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
57439 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
57440 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
57441 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
57442 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
57443 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
57444 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
57445 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
57446 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
57447 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
57448 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
57449 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
57450 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
57451 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
57452 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
57453 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
57454 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
57455 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
57456 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
57457 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
57458 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
57459 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
57460 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
57461 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
57462 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
57463 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
57464 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
57465 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
57466 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
57467 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
57468 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
57469 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
57470 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
57471 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
57472 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
57473 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
57474 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
57475 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
57476 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
57477 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
57478 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
57479 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
57480 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
57481 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
57482 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
57483 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
57484 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
57485 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
57486 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
57487 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
57488 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
57489 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
57490 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
57491 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
57492 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
57493 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
57494 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
57495 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
57496 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
57497 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
57498 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
57499 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
57500 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
57501 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
57502 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
57503 r1 = r1 + dr
57504 END DO
57505
57506 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
57507 END SUBROUTINE
57508 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_3_exp_0 ( &
57509 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
57510 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
57511 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
57512 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
57513 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
57514 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
57515 r_pow_t, r_tmp, rr1_delta, rr2_delta
57516
57517 REAL(kind=dp) :: c1, c2, c3
57518 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
57519 & s_r_t_10, s_r_t_11
57520 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
57521 & s_r_t2_9, s_r_t2_10, s_r_t2_11
57522 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
57523 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
57524 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
57525 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
57526 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
57527 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
57528 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
57529 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
57530 & h_to_c_10_11, h_to_c_11_11
57531 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
57532 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
57533 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
57534 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
57535 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
57536 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
57537 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
57538 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
57539 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
57540 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
57541
57542
57543 dr = lgth
57544 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
57545
57546 s_r(:, :, :) = 0.0_dp
57547
57548 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
57549
57550 h_to_c_0_0 = sqrt(alpha/pi)
57551
57552 h_to_c_0_1 = 0.0_dp
57553 h_to_c_1_1 = +2*alpha*h_to_c_0_0
57554 h_to_c_0_2 = -1*h_to_c_1_1
57555 h_to_c_1_2 = +2*alpha*h_to_c_0_1
57556 h_to_c_2_2 = +2*alpha*h_to_c_1_1
57557 h_to_c_0_3 = -1*h_to_c_1_2
57558 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
57559 h_to_c_2_3 = +2*alpha*h_to_c_1_2
57560 h_to_c_3_3 = +2*alpha*h_to_c_2_2
57561 h_to_c_0_4 = -1*h_to_c_1_3
57562 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
57563 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
57564 h_to_c_3_4 = +2*alpha*h_to_c_2_3
57565 h_to_c_4_4 = +2*alpha*h_to_c_3_3
57566 h_to_c_0_5 = -1*h_to_c_1_4
57567 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
57568 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
57569 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
57570 h_to_c_4_5 = +2*alpha*h_to_c_3_4
57571 h_to_c_5_5 = +2*alpha*h_to_c_4_4
57572 h_to_c_0_6 = -1*h_to_c_1_5
57573 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
57574 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
57575 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
57576 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
57577 h_to_c_5_6 = +2*alpha*h_to_c_4_5
57578 h_to_c_6_6 = +2*alpha*h_to_c_5_5
57579 h_to_c_0_7 = -1*h_to_c_1_6
57580 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
57581 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
57582 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
57583 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
57584 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
57585 h_to_c_6_7 = +2*alpha*h_to_c_5_6
57586 h_to_c_7_7 = +2*alpha*h_to_c_6_6
57587 h_to_c_0_8 = -1*h_to_c_1_7
57588 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
57589 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
57590 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
57591 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
57592 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
57593 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
57594 h_to_c_7_8 = +2*alpha*h_to_c_6_7
57595 h_to_c_8_8 = +2*alpha*h_to_c_7_7
57596 h_to_c_0_9 = -1*h_to_c_1_8
57597 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
57598 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
57599 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
57600 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
57601 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
57602 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
57603 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
57604 h_to_c_8_9 = +2*alpha*h_to_c_7_8
57605 h_to_c_9_9 = +2*alpha*h_to_c_8_8
57606 h_to_c_0_10 = -1*h_to_c_1_9
57607 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
57608 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
57609 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
57610 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
57611 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
57612 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
57613 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
57614 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
57615 h_to_c_9_10 = +2*alpha*h_to_c_8_9
57616 h_to_c_10_10 = +2*alpha*h_to_c_9_9
57617 h_to_c_0_11 = -1*h_to_c_1_10
57618 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
57619 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
57620 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
57621 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
57622 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
57623 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
57624 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
57625 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
57626 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
57627 h_to_c_10_11 = +2*alpha*h_to_c_9_10
57628 h_to_c_11_11 = +2*alpha*h_to_c_10_10
57629
57630
57631 rr1_delta = (ra - rb)/dr
57632
57633 rr1_l = ceiling(-r_c(1) + rr1_delta)
57634 rr1_r = floor(r_c(1) + rr1_delta)
57635
57636 r1 = rr1_l*dr
57637
57638 alpha_e = zeta*zetb/(zeta + zetb)
57639
57640 DO rr1 = rr1_l, rr1_r
57641 s_r_t_0 = 0.0_dp
57642 s_r_t2_0 = 0.0_dp
57643 s_r_t_1 = 0.0_dp
57644 s_r_t2_1 = 0.0_dp
57645 s_r_t_2 = 0.0_dp
57646 s_r_t2_2 = 0.0_dp
57647 s_r_t_3 = 0.0_dp
57648 s_r_t2_3 = 0.0_dp
57649 s_r_t_4 = 0.0_dp
57650 s_r_t2_4 = 0.0_dp
57651 s_r_t_5 = 0.0_dp
57652 s_r_t2_5 = 0.0_dp
57653 s_r_t_6 = 0.0_dp
57654 s_r_t2_6 = 0.0_dp
57655 s_r_t_7 = 0.0_dp
57656 s_r_t2_7 = 0.0_dp
57657 s_r_t_8 = 0.0_dp
57658 s_r_t2_8 = 0.0_dp
57659 s_r_t_9 = 0.0_dp
57660 s_r_t2_9 = 0.0_dp
57661 s_r_t_10 = 0.0_dp
57662 s_r_t2_10 = 0.0_dp
57663 s_r_t_11 = 0.0_dp
57664 s_r_t2_11 = 0.0_dp
57665 r_tmp = r_offset + r1*zeta/(zeta + zetb)
57666 rr2_delta = -r_tmp/dr
57667
57668 rr2_l = ceiling(-r_c(2) + rr2_delta)
57669 rr2_r = floor(r_c(2) + rr2_delta)
57670
57671 r = r_tmp + (rr2_l)*dr
57672
57673
57674 DO rr2 = rr2_l, rr2_r
57675 r_pow_t = 1.0_dp
57676 exp2_rsq = exp(-alpha*r*r)
57677 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
57678 r_pow_t = r_pow_t*r
57679 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
57680 r_pow_t = r_pow_t*r
57681 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
57682 r_pow_t = r_pow_t*r
57683 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
57684 r_pow_t = r_pow_t*r
57685 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
57686 r_pow_t = r_pow_t*r
57687 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
57688 r_pow_t = r_pow_t*r
57689 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
57690 r_pow_t = r_pow_t*r
57691 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
57692 r_pow_t = r_pow_t*r
57693 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
57694 r_pow_t = r_pow_t*r
57695 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
57696 r_pow_t = r_pow_t*r
57697 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
57698 r_pow_t = r_pow_t*r
57699 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
57700
57701 r = r + dr
57702 END DO
57703
57704 ! C --> H
57705 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
57706 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
57707 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
57708 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
57709 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
57710 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
57711 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
57712 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
57713 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
57714 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
57715 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
57716 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
57717 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
57718 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
57719 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
57720 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
57721 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
57722 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
57723 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
57724 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
57725 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
57726 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
57727 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
57728 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
57729 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
57730 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
57731 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
57732 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
57733 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
57734 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
57735 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
57736 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
57737 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
57738 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
57739 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
57740 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
57741 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
57742 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
57743 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
57744 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
57745 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
57746 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
57747 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
57748 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
57749 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
57750 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
57751 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
57752 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
57753 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
57754 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
57755 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
57756 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
57757 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
57758 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
57759 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
57760 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
57761 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
57762 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
57763 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
57764 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
57765 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
57766 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
57767 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
57768 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
57769 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
57770 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
57771 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
57772 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
57773 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
57774 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
57775 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
57776 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
57777 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
57778 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
57779 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
57780 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
57781 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
57782 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
57783
57784 ! H --> HH
57785 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
57786
57787 c1 = 1.0_dp/(zeta + zetb)
57788 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
57789 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
57790
57791 e_0_1_0 = zeta*( &
57792 +c2*e_0_0_0&
57793
57794 )
57795 e_0_0_1 = zetb*( &
57796 +c3*e_0_0_0&
57797
57798 )
57799 e_1_1_0 = zeta*( c1*e_0_0_0 &
57800
57801
57802 )
57803 e_1_0_1 = zetb*( c1*e_0_0_0 &
57804
57805
57806 )
57807 e_0_2_0 = zeta*( &
57808 +c2*e_0_1_0&
57809 +2*e_1_1_0 &
57810 -2*e_0_0_0)
57811 e_0_1_1 = zetb*( &
57812 +c3*e_0_1_0&
57813 +2*e_1_1_0 &
57814 )
57815 e_1_2_0 = zeta*( c1*e_0_1_0 &
57816 +c2*e_1_1_0&
57817
57818 )
57819 e_1_1_1 = zetb*( c1*e_0_1_0 &
57820 +c3*e_1_1_0&
57821
57822 )
57823 e_2_2_0 = zeta*( c1*e_1_1_0 &
57824
57825
57826 )
57827 e_2_1_1 = zetb*( c1*e_1_1_0 &
57828
57829
57830 )
57831 e_0_3_0 = zeta*( &
57832 +c2*e_0_2_0&
57833 +2*e_1_2_0 &
57834 -4*e_0_1_0)
57835 e_0_2_1 = zetb*( &
57836 +c3*e_0_2_0&
57837 +2*e_1_2_0 &
57838 )
57839 e_1_3_0 = zeta*( c1*e_0_2_0 &
57840 +c2*e_1_2_0&
57841 +4*e_2_2_0 &
57842 -4*e_1_1_0)
57843 e_1_2_1 = zetb*( c1*e_0_2_0 &
57844 +c3*e_1_2_0&
57845 +4*e_2_2_0 &
57846 )
57847 e_2_3_0 = zeta*( c1*e_1_2_0 &
57848 +c2*e_2_2_0&
57849
57850 )
57851 e_2_2_1 = zetb*( c1*e_1_2_0 &
57852 +c3*e_2_2_0&
57853
57854 )
57855 e_3_3_0 = zeta*( c1*e_2_2_0 &
57856
57857
57858 )
57859 e_3_2_1 = zetb*( c1*e_2_2_0 &
57860
57861
57862 )
57863 e_0_4_0 = zeta*( &
57864 +c2*e_0_3_0&
57865 +2*e_1_3_0 &
57866 -6*e_0_2_0)
57867 e_0_3_1 = zetb*( &
57868 +c3*e_0_3_0&
57869 +2*e_1_3_0 &
57870 )
57871 e_1_4_0 = zeta*( c1*e_0_3_0 &
57872 +c2*e_1_3_0&
57873 +4*e_2_3_0 &
57874 -6*e_1_2_0)
57875 e_1_3_1 = zetb*( c1*e_0_3_0 &
57876 +c3*e_1_3_0&
57877 +4*e_2_3_0 &
57878 )
57879 e_2_4_0 = zeta*( c1*e_1_3_0 &
57880 +c2*e_2_3_0&
57881 +6*e_3_3_0 &
57882 -6*e_2_2_0)
57883 e_2_3_1 = zetb*( c1*e_1_3_0 &
57884 +c3*e_2_3_0&
57885 +6*e_3_3_0 &
57886 )
57887 e_3_4_0 = zeta*( c1*e_2_3_0 &
57888 +c2*e_3_3_0&
57889
57890 )
57891 e_3_3_1 = zetb*( c1*e_2_3_0 &
57892 +c3*e_3_3_0&
57893
57894 )
57895 e_4_4_0 = zeta*( c1*e_3_3_0 &
57896
57897
57898 )
57899 e_4_3_1 = zetb*( c1*e_3_3_0 &
57900
57901
57902 )
57903 e_0_4_1 = zetb*( &
57904 +c3*e_0_4_0&
57905 +2*e_1_4_0 &
57906 )
57907 e_1_4_1 = zetb*( c1*e_0_4_0 &
57908 +c3*e_1_4_0&
57909 +4*e_2_4_0 &
57910 )
57911 e_2_4_1 = zetb*( c1*e_1_4_0 &
57912 +c3*e_2_4_0&
57913 +6*e_3_4_0 &
57914 )
57915 e_3_4_1 = zetb*( c1*e_2_4_0 &
57916 +c3*e_3_4_0&
57917 +8*e_4_4_0 &
57918 )
57919 e_4_4_1 = zetb*( c1*e_3_4_0 &
57920 +c3*e_4_4_0&
57921
57922 )
57923 e_5_4_1 = zetb*( c1*e_4_4_0 &
57924
57925
57926 )
57927 e_0_1_1 = zeta*( &
57928 +c2*e_0_0_1&
57929 +2*e_1_0_1 &
57930 )
57931 e_0_0_2 = zetb*( &
57932 +c3*e_0_0_1&
57933 +2*e_1_0_1 &
57934 -2*e_0_0_0)
57935 e_1_1_1 = zeta*( c1*e_0_0_1 &
57936 +c2*e_1_0_1&
57937
57938 )
57939 e_1_0_2 = zetb*( c1*e_0_0_1 &
57940 +c3*e_1_0_1&
57941
57942 )
57943 e_2_1_1 = zeta*( c1*e_1_0_1 &
57944
57945
57946 )
57947 e_2_0_2 = zetb*( c1*e_1_0_1 &
57948
57949
57950 )
57951 e_0_2_1 = zeta*( &
57952 +c2*e_0_1_1&
57953 +2*e_1_1_1 &
57954 -2*e_0_0_1)
57955 e_0_1_2 = zetb*( &
57956 +c3*e_0_1_1&
57957 +2*e_1_1_1 &
57958 -2*e_0_1_0)
57959 e_1_2_1 = zeta*( c1*e_0_1_1 &
57960 +c2*e_1_1_1&
57961 +4*e_2_1_1 &
57962 -2*e_1_0_1)
57963 e_1_1_2 = zetb*( c1*e_0_1_1 &
57964 +c3*e_1_1_1&
57965 +4*e_2_1_1 &
57966 -2*e_1_1_0)
57967 e_2_2_1 = zeta*( c1*e_1_1_1 &
57968 +c2*e_2_1_1&
57969
57970 )
57971 e_2_1_2 = zetb*( c1*e_1_1_1 &
57972 +c3*e_2_1_1&
57973
57974 )
57975 e_3_2_1 = zeta*( c1*e_2_1_1 &
57976
57977
57978 )
57979 e_3_1_2 = zetb*( c1*e_2_1_1 &
57980
57981
57982 )
57983 e_0_3_1 = zeta*( &
57984 +c2*e_0_2_1&
57985 +2*e_1_2_1 &
57986 -4*e_0_1_1)
57987 e_0_2_2 = zetb*( &
57988 +c3*e_0_2_1&
57989 +2*e_1_2_1 &
57990 -2*e_0_2_0)
57991 e_1_3_1 = zeta*( c1*e_0_2_1 &
57992 +c2*e_1_2_1&
57993 +4*e_2_2_1 &
57994 -4*e_1_1_1)
57995 e_1_2_2 = zetb*( c1*e_0_2_1 &
57996 +c3*e_1_2_1&
57997 +4*e_2_2_1 &
57998 -2*e_1_2_0)
57999 e_2_3_1 = zeta*( c1*e_1_2_1 &
58000 +c2*e_2_2_1&
58001 +6*e_3_2_1 &
58002 -4*e_2_1_1)
58003 e_2_2_2 = zetb*( c1*e_1_2_1 &
58004 +c3*e_2_2_1&
58005 +6*e_3_2_1 &
58006 -2*e_2_2_0)
58007 e_3_3_1 = zeta*( c1*e_2_2_1 &
58008 +c2*e_3_2_1&
58009
58010 )
58011 e_3_2_2 = zetb*( c1*e_2_2_1 &
58012 +c3*e_3_2_1&
58013
58014 )
58015 e_4_3_1 = zeta*( c1*e_3_2_1 &
58016
58017
58018 )
58019 e_4_2_2 = zetb*( c1*e_3_2_1 &
58020
58021
58022 )
58023 e_0_4_1 = zeta*( &
58024 +c2*e_0_3_1&
58025 +2*e_1_3_1 &
58026 -6*e_0_2_1)
58027 e_0_3_2 = zetb*( &
58028 +c3*e_0_3_1&
58029 +2*e_1_3_1 &
58030 -2*e_0_3_0)
58031 e_1_4_1 = zeta*( c1*e_0_3_1 &
58032 +c2*e_1_3_1&
58033 +4*e_2_3_1 &
58034 -6*e_1_2_1)
58035 e_1_3_2 = zetb*( c1*e_0_3_1 &
58036 +c3*e_1_3_1&
58037 +4*e_2_3_1 &
58038 -2*e_1_3_0)
58039 e_2_4_1 = zeta*( c1*e_1_3_1 &
58040 +c2*e_2_3_1&
58041 +6*e_3_3_1 &
58042 -6*e_2_2_1)
58043 e_2_3_2 = zetb*( c1*e_1_3_1 &
58044 +c3*e_2_3_1&
58045 +6*e_3_3_1 &
58046 -2*e_2_3_0)
58047 e_3_4_1 = zeta*( c1*e_2_3_1 &
58048 +c2*e_3_3_1&
58049 +8*e_4_3_1 &
58050 -6*e_3_2_1)
58051 e_3_3_2 = zetb*( c1*e_2_3_1 &
58052 +c3*e_3_3_1&
58053 +8*e_4_3_1 &
58054 -2*e_3_3_0)
58055 e_4_4_1 = zeta*( c1*e_3_3_1 &
58056 +c2*e_4_3_1&
58057
58058 )
58059 e_4_3_2 = zetb*( c1*e_3_3_1 &
58060 +c3*e_4_3_1&
58061
58062 )
58063 e_5_4_1 = zeta*( c1*e_4_3_1 &
58064
58065
58066 )
58067 e_5_3_2 = zetb*( c1*e_4_3_1 &
58068
58069
58070 )
58071 e_0_4_2 = zetb*( &
58072 +c3*e_0_4_1&
58073 +2*e_1_4_1 &
58074 -2*e_0_4_0)
58075 e_1_4_2 = zetb*( c1*e_0_4_1 &
58076 +c3*e_1_4_1&
58077 +4*e_2_4_1 &
58078 -2*e_1_4_0)
58079 e_2_4_2 = zetb*( c1*e_1_4_1 &
58080 +c3*e_2_4_1&
58081 +6*e_3_4_1 &
58082 -2*e_2_4_0)
58083 e_3_4_2 = zetb*( c1*e_2_4_1 &
58084 +c3*e_3_4_1&
58085 +8*e_4_4_1 &
58086 -2*e_3_4_0)
58087 e_4_4_2 = zetb*( c1*e_3_4_1 &
58088 +c3*e_4_4_1&
58089 +10*e_5_4_1 &
58090 -2*e_4_4_0)
58091 e_5_4_2 = zetb*( c1*e_4_4_1 &
58092 +c3*e_5_4_1&
58093
58094 )
58095 e_6_4_2 = zetb*( c1*e_5_4_1 &
58096
58097
58098 )
58099 e_0_1_2 = zeta*( &
58100 +c2*e_0_0_2&
58101 +2*e_1_0_2 &
58102 )
58103 e_0_0_3 = zetb*( &
58104 +c3*e_0_0_2&
58105 +2*e_1_0_2 &
58106 -4*e_0_0_1)
58107 e_1_1_2 = zeta*( c1*e_0_0_2 &
58108 +c2*e_1_0_2&
58109 +4*e_2_0_2 &
58110 )
58111 e_1_0_3 = zetb*( c1*e_0_0_2 &
58112 +c3*e_1_0_2&
58113 +4*e_2_0_2 &
58114 -4*e_1_0_1)
58115 e_2_1_2 = zeta*( c1*e_1_0_2 &
58116 +c2*e_2_0_2&
58117
58118 )
58119 e_2_0_3 = zetb*( c1*e_1_0_2 &
58120 +c3*e_2_0_2&
58121
58122 )
58123 e_3_1_2 = zeta*( c1*e_2_0_2 &
58124
58125
58126 )
58127 e_3_0_3 = zetb*( c1*e_2_0_2 &
58128
58129
58130 )
58131 e_0_2_2 = zeta*( &
58132 +c2*e_0_1_2&
58133 +2*e_1_1_2 &
58134 -2*e_0_0_2)
58135 e_0_1_3 = zetb*( &
58136 +c3*e_0_1_2&
58137 +2*e_1_1_2 &
58138 -4*e_0_1_1)
58139 e_1_2_2 = zeta*( c1*e_0_1_2 &
58140 +c2*e_1_1_2&
58141 +4*e_2_1_2 &
58142 -2*e_1_0_2)
58143 e_1_1_3 = zetb*( c1*e_0_1_2 &
58144 +c3*e_1_1_2&
58145 +4*e_2_1_2 &
58146 -4*e_1_1_1)
58147 e_2_2_2 = zeta*( c1*e_1_1_2 &
58148 +c2*e_2_1_2&
58149 +6*e_3_1_2 &
58150 -2*e_2_0_2)
58151 e_2_1_3 = zetb*( c1*e_1_1_2 &
58152 +c3*e_2_1_2&
58153 +6*e_3_1_2 &
58154 -4*e_2_1_1)
58155 e_3_2_2 = zeta*( c1*e_2_1_2 &
58156 +c2*e_3_1_2&
58157
58158 )
58159 e_3_1_3 = zetb*( c1*e_2_1_2 &
58160 +c3*e_3_1_2&
58161
58162 )
58163 e_4_2_2 = zeta*( c1*e_3_1_2 &
58164
58165
58166 )
58167 e_4_1_3 = zetb*( c1*e_3_1_2 &
58168
58169
58170 )
58171 e_0_3_2 = zeta*( &
58172 +c2*e_0_2_2&
58173 +2*e_1_2_2 &
58174 -4*e_0_1_2)
58175 e_0_2_3 = zetb*( &
58176 +c3*e_0_2_2&
58177 +2*e_1_2_2 &
58178 -4*e_0_2_1)
58179 e_1_3_2 = zeta*( c1*e_0_2_2 &
58180 +c2*e_1_2_2&
58181 +4*e_2_2_2 &
58182 -4*e_1_1_2)
58183 e_1_2_3 = zetb*( c1*e_0_2_2 &
58184 +c3*e_1_2_2&
58185 +4*e_2_2_2 &
58186 -4*e_1_2_1)
58187 e_2_3_2 = zeta*( c1*e_1_2_2 &
58188 +c2*e_2_2_2&
58189 +6*e_3_2_2 &
58190 -4*e_2_1_2)
58191 e_2_2_3 = zetb*( c1*e_1_2_2 &
58192 +c3*e_2_2_2&
58193 +6*e_3_2_2 &
58194 -4*e_2_2_1)
58195 e_3_3_2 = zeta*( c1*e_2_2_2 &
58196 +c2*e_3_2_2&
58197 +8*e_4_2_2 &
58198 -4*e_3_1_2)
58199 e_3_2_3 = zetb*( c1*e_2_2_2 &
58200 +c3*e_3_2_2&
58201 +8*e_4_2_2 &
58202 -4*e_3_2_1)
58203 e_4_3_2 = zeta*( c1*e_3_2_2 &
58204 +c2*e_4_2_2&
58205
58206 )
58207 e_4_2_3 = zetb*( c1*e_3_2_2 &
58208 +c3*e_4_2_2&
58209
58210 )
58211 e_5_3_2 = zeta*( c1*e_4_2_2 &
58212
58213
58214 )
58215 e_5_2_3 = zetb*( c1*e_4_2_2 &
58216
58217
58218 )
58219 e_0_4_2 = zeta*( &
58220 +c2*e_0_3_2&
58221 +2*e_1_3_2 &
58222 -6*e_0_2_2)
58223 e_0_3_3 = zetb*( &
58224 +c3*e_0_3_2&
58225 +2*e_1_3_2 &
58226 -4*e_0_3_1)
58227 e_1_4_2 = zeta*( c1*e_0_3_2 &
58228 +c2*e_1_3_2&
58229 +4*e_2_3_2 &
58230 -6*e_1_2_2)
58231 e_1_3_3 = zetb*( c1*e_0_3_2 &
58232 +c3*e_1_3_2&
58233 +4*e_2_3_2 &
58234 -4*e_1_3_1)
58235 e_2_4_2 = zeta*( c1*e_1_3_2 &
58236 +c2*e_2_3_2&
58237 +6*e_3_3_2 &
58238 -6*e_2_2_2)
58239 e_2_3_3 = zetb*( c1*e_1_3_2 &
58240 +c3*e_2_3_2&
58241 +6*e_3_3_2 &
58242 -4*e_2_3_1)
58243 e_3_4_2 = zeta*( c1*e_2_3_2 &
58244 +c2*e_3_3_2&
58245 +8*e_4_3_2 &
58246 -6*e_3_2_2)
58247 e_3_3_3 = zetb*( c1*e_2_3_2 &
58248 +c3*e_3_3_2&
58249 +8*e_4_3_2 &
58250 -4*e_3_3_1)
58251 e_4_4_2 = zeta*( c1*e_3_3_2 &
58252 +c2*e_4_3_2&
58253 +10*e_5_3_2 &
58254 -6*e_4_2_2)
58255 e_4_3_3 = zetb*( c1*e_3_3_2 &
58256 +c3*e_4_3_2&
58257 +10*e_5_3_2 &
58258 -4*e_4_3_1)
58259 e_5_4_2 = zeta*( c1*e_4_3_2 &
58260 +c2*e_5_3_2&
58261
58262 )
58263 e_5_3_3 = zetb*( c1*e_4_3_2 &
58264 +c3*e_5_3_2&
58265
58266 )
58267 e_6_4_2 = zeta*( c1*e_5_3_2 &
58268
58269
58270 )
58271 e_6_3_3 = zetb*( c1*e_5_3_2 &
58272
58273
58274 )
58275 e_0_4_3 = zetb*( &
58276 +c3*e_0_4_2&
58277 +2*e_1_4_2 &
58278 -4*e_0_4_1)
58279 e_1_4_3 = zetb*( c1*e_0_4_2 &
58280 +c3*e_1_4_2&
58281 +4*e_2_4_2 &
58282 -4*e_1_4_1)
58283 e_2_4_3 = zetb*( c1*e_1_4_2 &
58284 +c3*e_2_4_2&
58285 +6*e_3_4_2 &
58286 -4*e_2_4_1)
58287 e_3_4_3 = zetb*( c1*e_2_4_2 &
58288 +c3*e_3_4_2&
58289 +8*e_4_4_2 &
58290 -4*e_3_4_1)
58291 e_4_4_3 = zetb*( c1*e_3_4_2 &
58292 +c3*e_4_4_2&
58293 +10*e_5_4_2 &
58294 -4*e_4_4_1)
58295 e_5_4_3 = zetb*( c1*e_4_4_2 &
58296 +c3*e_5_4_2&
58297 +12*e_6_4_2 &
58298 -4*e_5_4_1)
58299 e_6_4_3 = zetb*( c1*e_5_4_2 &
58300 +c3*e_6_4_2&
58301
58302 )
58303 e_7_4_3 = zetb*( c1*e_6_4_2 &
58304
58305
58306 )
58307 e_0_1_3 = zeta*( &
58308 +c2*e_0_0_3&
58309 +2*e_1_0_3 &
58310 )
58311 e_0_0_4 = zetb*( &
58312 +c3*e_0_0_3&
58313 +2*e_1_0_3 &
58314 -6*e_0_0_2)
58315 e_1_1_3 = zeta*( c1*e_0_0_3 &
58316 +c2*e_1_0_3&
58317 +4*e_2_0_3 &
58318 )
58319 e_1_0_4 = zetb*( c1*e_0_0_3 &
58320 +c3*e_1_0_3&
58321 +4*e_2_0_3 &
58322 -6*e_1_0_2)
58323 e_2_1_3 = zeta*( c1*e_1_0_3 &
58324 +c2*e_2_0_3&
58325 +6*e_3_0_3 &
58326 )
58327 e_2_0_4 = zetb*( c1*e_1_0_3 &
58328 +c3*e_2_0_3&
58329 +6*e_3_0_3 &
58330 -6*e_2_0_2)
58331 e_3_1_3 = zeta*( c1*e_2_0_3 &
58332 +c2*e_3_0_3&
58333
58334 )
58335 e_3_0_4 = zetb*( c1*e_2_0_3 &
58336 +c3*e_3_0_3&
58337
58338 )
58339 e_4_1_3 = zeta*( c1*e_3_0_3 &
58340
58341
58342 )
58343 e_4_0_4 = zetb*( c1*e_3_0_3 &
58344
58345
58346 )
58347 e_0_2_3 = zeta*( &
58348 +c2*e_0_1_3&
58349 +2*e_1_1_3 &
58350 -2*e_0_0_3)
58351 e_0_1_4 = zetb*( &
58352 +c3*e_0_1_3&
58353 +2*e_1_1_3 &
58354 -6*e_0_1_2)
58355 e_1_2_3 = zeta*( c1*e_0_1_3 &
58356 +c2*e_1_1_3&
58357 +4*e_2_1_3 &
58358 -2*e_1_0_3)
58359 e_1_1_4 = zetb*( c1*e_0_1_3 &
58360 +c3*e_1_1_3&
58361 +4*e_2_1_3 &
58362 -6*e_1_1_2)
58363 e_2_2_3 = zeta*( c1*e_1_1_3 &
58364 +c2*e_2_1_3&
58365 +6*e_3_1_3 &
58366 -2*e_2_0_3)
58367 e_2_1_4 = zetb*( c1*e_1_1_3 &
58368 +c3*e_2_1_3&
58369 +6*e_3_1_3 &
58370 -6*e_2_1_2)
58371 e_3_2_3 = zeta*( c1*e_2_1_3 &
58372 +c2*e_3_1_3&
58373 +8*e_4_1_3 &
58374 -2*e_3_0_3)
58375 e_3_1_4 = zetb*( c1*e_2_1_3 &
58376 +c3*e_3_1_3&
58377 +8*e_4_1_3 &
58378 -6*e_3_1_2)
58379 e_4_2_3 = zeta*( c1*e_3_1_3 &
58380 +c2*e_4_1_3&
58381
58382 )
58383 e_4_1_4 = zetb*( c1*e_3_1_3 &
58384 +c3*e_4_1_3&
58385
58386 )
58387 e_5_2_3 = zeta*( c1*e_4_1_3 &
58388
58389
58390 )
58391 e_5_1_4 = zetb*( c1*e_4_1_3 &
58392
58393
58394 )
58395 e_0_3_3 = zeta*( &
58396 +c2*e_0_2_3&
58397 +2*e_1_2_3 &
58398 -4*e_0_1_3)
58399 e_0_2_4 = zetb*( &
58400 +c3*e_0_2_3&
58401 +2*e_1_2_3 &
58402 -6*e_0_2_2)
58403 e_1_3_3 = zeta*( c1*e_0_2_3 &
58404 +c2*e_1_2_3&
58405 +4*e_2_2_3 &
58406 -4*e_1_1_3)
58407 e_1_2_4 = zetb*( c1*e_0_2_3 &
58408 +c3*e_1_2_3&
58409 +4*e_2_2_3 &
58410 -6*e_1_2_2)
58411 e_2_3_3 = zeta*( c1*e_1_2_3 &
58412 +c2*e_2_2_3&
58413 +6*e_3_2_3 &
58414 -4*e_2_1_3)
58415 e_2_2_4 = zetb*( c1*e_1_2_3 &
58416 +c3*e_2_2_3&
58417 +6*e_3_2_3 &
58418 -6*e_2_2_2)
58419 e_3_3_3 = zeta*( c1*e_2_2_3 &
58420 +c2*e_3_2_3&
58421 +8*e_4_2_3 &
58422 -4*e_3_1_3)
58423 e_3_2_4 = zetb*( c1*e_2_2_3 &
58424 +c3*e_3_2_3&
58425 +8*e_4_2_3 &
58426 -6*e_3_2_2)
58427 e_4_3_3 = zeta*( c1*e_3_2_3 &
58428 +c2*e_4_2_3&
58429 +10*e_5_2_3 &
58430 -4*e_4_1_3)
58431 e_4_2_4 = zetb*( c1*e_3_2_3 &
58432 +c3*e_4_2_3&
58433 +10*e_5_2_3 &
58434 -6*e_4_2_2)
58435 e_5_3_3 = zeta*( c1*e_4_2_3 &
58436 +c2*e_5_2_3&
58437
58438 )
58439 e_5_2_4 = zetb*( c1*e_4_2_3 &
58440 +c3*e_5_2_3&
58441
58442 )
58443 e_6_3_3 = zeta*( c1*e_5_2_3 &
58444
58445
58446 )
58447 e_6_2_4 = zetb*( c1*e_5_2_3 &
58448
58449
58450 )
58451 e_0_4_3 = zeta*( &
58452 +c2*e_0_3_3&
58453 +2*e_1_3_3 &
58454 -6*e_0_2_3)
58455 e_0_3_4 = zetb*( &
58456 +c3*e_0_3_3&
58457 +2*e_1_3_3 &
58458 -6*e_0_3_2)
58459 e_1_4_3 = zeta*( c1*e_0_3_3 &
58460 +c2*e_1_3_3&
58461 +4*e_2_3_3 &
58462 -6*e_1_2_3)
58463 e_1_3_4 = zetb*( c1*e_0_3_3 &
58464 +c3*e_1_3_3&
58465 +4*e_2_3_3 &
58466 -6*e_1_3_2)
58467 e_2_4_3 = zeta*( c1*e_1_3_3 &
58468 +c2*e_2_3_3&
58469 +6*e_3_3_3 &
58470 -6*e_2_2_3)
58471 e_2_3_4 = zetb*( c1*e_1_3_3 &
58472 +c3*e_2_3_3&
58473 +6*e_3_3_3 &
58474 -6*e_2_3_2)
58475 e_3_4_3 = zeta*( c1*e_2_3_3 &
58476 +c2*e_3_3_3&
58477 +8*e_4_3_3 &
58478 -6*e_3_2_3)
58479 e_3_3_4 = zetb*( c1*e_2_3_3 &
58480 +c3*e_3_3_3&
58481 +8*e_4_3_3 &
58482 -6*e_3_3_2)
58483 e_4_4_3 = zeta*( c1*e_3_3_3 &
58484 +c2*e_4_3_3&
58485 +10*e_5_3_3 &
58486 -6*e_4_2_3)
58487 e_4_3_4 = zetb*( c1*e_3_3_3 &
58488 +c3*e_4_3_3&
58489 +10*e_5_3_3 &
58490 -6*e_4_3_2)
58491 e_5_4_3 = zeta*( c1*e_4_3_3 &
58492 +c2*e_5_3_3&
58493 +12*e_6_3_3 &
58494 -6*e_5_2_3)
58495 e_5_3_4 = zetb*( c1*e_4_3_3 &
58496 +c3*e_5_3_3&
58497 +12*e_6_3_3 &
58498 -6*e_5_3_2)
58499 e_6_4_3 = zeta*( c1*e_5_3_3 &
58500 +c2*e_6_3_3&
58501
58502 )
58503 e_6_3_4 = zetb*( c1*e_5_3_3 &
58504 +c3*e_6_3_3&
58505
58506 )
58507 e_7_4_3 = zeta*( c1*e_6_3_3 &
58508
58509
58510 )
58511 e_7_3_4 = zetb*( c1*e_6_3_3 &
58512
58513
58514 )
58515 e_0_4_4 = zetb*( &
58516 +c3*e_0_4_3&
58517 +2*e_1_4_3 &
58518 -6*e_0_4_2)
58519 e_1_4_4 = zetb*( c1*e_0_4_3 &
58520 +c3*e_1_4_3&
58521 +4*e_2_4_3 &
58522 -6*e_1_4_2)
58523 e_2_4_4 = zetb*( c1*e_1_4_3 &
58524 +c3*e_2_4_3&
58525 +6*e_3_4_3 &
58526 -6*e_2_4_2)
58527 e_3_4_4 = zetb*( c1*e_2_4_3 &
58528 +c3*e_3_4_3&
58529 +8*e_4_4_3 &
58530 -6*e_3_4_2)
58531 e_4_4_4 = zetb*( c1*e_3_4_3 &
58532 +c3*e_4_4_3&
58533 +10*e_5_4_3 &
58534 -6*e_4_4_2)
58535 e_5_4_4 = zetb*( c1*e_4_4_3 &
58536 +c3*e_5_4_3&
58537 +12*e_6_4_3 &
58538 -6*e_5_4_2)
58539 e_6_4_4 = zetb*( c1*e_5_4_3 &
58540 +c3*e_6_4_3&
58541 +14*e_7_4_3 &
58542 -6*e_6_4_2)
58543 e_7_4_4 = zetb*( c1*e_6_4_3 &
58544 +c3*e_7_4_3&
58545
58546 )
58547 e_8_4_4 = zetb*( c1*e_7_4_3 &
58548
58549
58550 )
58551 e_0_1_4 = zeta*( &
58552 +c2*e_0_0_4&
58553 +2*e_1_0_4 &
58554 )
58555 e_1_1_4 = zeta*( c1*e_0_0_4 &
58556 +c2*e_1_0_4&
58557 +4*e_2_0_4 &
58558 )
58559 e_2_1_4 = zeta*( c1*e_1_0_4 &
58560 +c2*e_2_0_4&
58561 +6*e_3_0_4 &
58562 )
58563 e_3_1_4 = zeta*( c1*e_2_0_4 &
58564 +c2*e_3_0_4&
58565 +8*e_4_0_4 &
58566 )
58567 e_4_1_4 = zeta*( c1*e_3_0_4 &
58568 +c2*e_4_0_4&
58569
58570 )
58571 e_5_1_4 = zeta*( c1*e_4_0_4 &
58572
58573
58574 )
58575 e_0_2_4 = zeta*( &
58576 +c2*e_0_1_4&
58577 +2*e_1_1_4 &
58578 -2*e_0_0_4)
58579 e_1_2_4 = zeta*( c1*e_0_1_4 &
58580 +c2*e_1_1_4&
58581 +4*e_2_1_4 &
58582 -2*e_1_0_4)
58583 e_2_2_4 = zeta*( c1*e_1_1_4 &
58584 +c2*e_2_1_4&
58585 +6*e_3_1_4 &
58586 -2*e_2_0_4)
58587 e_3_2_4 = zeta*( c1*e_2_1_4 &
58588 +c2*e_3_1_4&
58589 +8*e_4_1_4 &
58590 -2*e_3_0_4)
58591 e_4_2_4 = zeta*( c1*e_3_1_4 &
58592 +c2*e_4_1_4&
58593 +10*e_5_1_4 &
58594 -2*e_4_0_4)
58595 e_5_2_4 = zeta*( c1*e_4_1_4 &
58596 +c2*e_5_1_4&
58597
58598 )
58599 e_6_2_4 = zeta*( c1*e_5_1_4 &
58600
58601
58602 )
58603 e_0_3_4 = zeta*( &
58604 +c2*e_0_2_4&
58605 +2*e_1_2_4 &
58606 -4*e_0_1_4)
58607 e_1_3_4 = zeta*( c1*e_0_2_4 &
58608 +c2*e_1_2_4&
58609 +4*e_2_2_4 &
58610 -4*e_1_1_4)
58611 e_2_3_4 = zeta*( c1*e_1_2_4 &
58612 +c2*e_2_2_4&
58613 +6*e_3_2_4 &
58614 -4*e_2_1_4)
58615 e_3_3_4 = zeta*( c1*e_2_2_4 &
58616 +c2*e_3_2_4&
58617 +8*e_4_2_4 &
58618 -4*e_3_1_4)
58619 e_4_3_4 = zeta*( c1*e_3_2_4 &
58620 +c2*e_4_2_4&
58621 +10*e_5_2_4 &
58622 -4*e_4_1_4)
58623 e_5_3_4 = zeta*( c1*e_4_2_4 &
58624 +c2*e_5_2_4&
58625 +12*e_6_2_4 &
58626 -4*e_5_1_4)
58627 e_6_3_4 = zeta*( c1*e_5_2_4 &
58628 +c2*e_6_2_4&
58629
58630 )
58631 e_7_3_4 = zeta*( c1*e_6_2_4 &
58632
58633
58634 )
58635 e_0_4_4 = zeta*( &
58636 +c2*e_0_3_4&
58637 +2*e_1_3_4 &
58638 -6*e_0_2_4)
58639 e_1_4_4 = zeta*( c1*e_0_3_4 &
58640 +c2*e_1_3_4&
58641 +4*e_2_3_4 &
58642 -6*e_1_2_4)
58643 e_2_4_4 = zeta*( c1*e_1_3_4 &
58644 +c2*e_2_3_4&
58645 +6*e_3_3_4 &
58646 -6*e_2_2_4)
58647 e_3_4_4 = zeta*( c1*e_2_3_4 &
58648 +c2*e_3_3_4&
58649 +8*e_4_3_4 &
58650 -6*e_3_2_4)
58651 e_4_4_4 = zeta*( c1*e_3_3_4 &
58652 +c2*e_4_3_4&
58653 +10*e_5_3_4 &
58654 -6*e_4_2_4)
58655 e_5_4_4 = zeta*( c1*e_4_3_4 &
58656 +c2*e_5_3_4&
58657 +12*e_6_3_4 &
58658 -6*e_5_2_4)
58659 e_6_4_4 = zeta*( c1*e_5_3_4 &
58660 +c2*e_6_3_4&
58661 +14*e_7_3_4 &
58662 -6*e_6_2_4)
58663 e_7_4_4 = zeta*( c1*e_6_3_4 &
58664 +c2*e_7_3_4&
58665
58666 )
58667 e_8_4_4 = zeta*( c1*e_7_3_4 &
58668
58669
58670 )
58671
58672 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
58673 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
58674 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
58675 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
58676 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
58677 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
58678 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
58679 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
58680 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
58681 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
58682 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
58683 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
58684 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
58685 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
58686 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
58687 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
58688 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
58689 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
58690 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
58691 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
58692 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
58693 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
58694 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
58695 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
58696 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
58697 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
58698 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
58699 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
58700 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
58701 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
58702 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
58703 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
58704 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
58705 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
58706 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
58707 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
58708 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
58709 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
58710 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
58711 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
58712 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
58713 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
58714 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
58715 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
58716 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
58717 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
58718 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
58719 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
58720 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
58721 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
58722 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
58723 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
58724 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
58725 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
58726 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
58727 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
58728 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
58729 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
58730 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
58731 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
58732 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
58733 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
58734 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
58735 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
58736 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
58737 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
58738 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
58739 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
58740 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
58741 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
58742 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
58743 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
58744 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
58745 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
58746 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
58747 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
58748 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
58749 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
58750 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
58751 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
58752 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
58753 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
58754 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
58755 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
58756 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
58757 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
58758 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
58759 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
58760 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
58761 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
58762 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
58763 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
58764 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
58765 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
58766 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
58767 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
58768 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
58769 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
58770 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
58771 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
58772 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
58773 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
58774 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
58775 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
58776 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
58777 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
58778 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
58779 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
58780 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
58781 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
58782 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
58783 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
58784 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
58785 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
58786 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
58787 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
58788 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
58789 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
58790 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
58791 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
58792 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
58793 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
58794 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
58795 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
58796 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
58797 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
58798 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
58799 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
58800 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
58801 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
58802 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
58803 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
58804 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
58805 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
58806 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
58807 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
58808 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
58809 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
58810 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
58811 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
58812 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
58813 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
58814 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
58815 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
58816 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
58817 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
58818 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
58819 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
58820 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
58821 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
58822 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
58823 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
58824 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
58825 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
58826 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
58827 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
58828 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
58829 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
58830 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
58831 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
58832 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
58833 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
58834 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
58835 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
58836 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
58837 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
58838 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
58839 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
58840 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
58841 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
58842 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
58843 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
58844 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
58845 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
58846 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
58847 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
58848 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
58849 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
58850 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
58851 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
58852 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
58853 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
58854 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
58855 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
58856 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
58857 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
58858 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
58859 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
58860 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
58861 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
58862 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
58863 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
58864 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
58865 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
58866 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
58867 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
58868 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
58869 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
58870 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
58871 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
58872 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
58873 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
58874 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
58875 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
58876 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
58877 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
58878 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
58879 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
58880 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
58881 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
58882 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
58883 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
58884 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
58885 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
58886 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
58887 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
58888 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
58889 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
58890 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
58891 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
58892 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
58893 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
58894 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
58895 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
58896 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
58897 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
58898 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
58899 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
58900 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
58901 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
58902 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
58903 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
58904 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
58905 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
58906 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
58907 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
58908 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
58909 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
58910 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
58911 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
58912 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
58913 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
58914 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
58915 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
58916 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
58917 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
58918 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
58919 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
58920 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
58921 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
58922 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
58923 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
58924 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
58925 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
58926 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
58927 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
58928 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
58929 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
58930 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
58931 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
58932 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
58933 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
58934 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
58935 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
58936 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
58937 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
58938 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
58939 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
58940 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
58941 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
58942 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
58943 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
58944 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
58945 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
58946 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
58947 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
58948 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
58949 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
58950 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
58951 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
58952 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
58953 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
58954 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
58955 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
58956 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
58957 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
58958 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
58959 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
58960 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
58961 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
58962 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
58963 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
58964 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
58965 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
58966 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
58967 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
58968 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
58969 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
58970 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
58971 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
58972 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
58973 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
58974 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
58975 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
58976 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
58977 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
58978 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
58979 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
58980 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
58981 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
58982 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
58983 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
58984 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
58985 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
58986 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
58987 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
58988 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
58989 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
58990 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
58991 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
58992 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
58993 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
58994 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
58995 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
58996 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
58997 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
58998 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
58999 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
59000 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
59001 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
59002 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
59003 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
59004 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
59005 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
59006 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
59007 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
59008 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
59009 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
59010 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
59011 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
59012 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
59013 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
59014 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
59015 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
59016 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
59017 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
59018 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
59019 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
59020 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
59021 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
59022 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
59023 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
59024 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
59025 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
59026 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
59027 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
59028 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
59029 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
59030 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
59031 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
59032 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
59033 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
59034 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
59035 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
59036 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
59037 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
59038 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
59039 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
59040 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
59041 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
59042 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
59043 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
59044 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
59045 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
59046 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
59047 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
59048 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
59049 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
59050 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
59051 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
59052 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
59053 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
59054 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
59055 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
59056 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
59057 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
59058 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
59059 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
59060 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
59061 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
59062 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
59063 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
59064 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
59065 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
59066 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
59067 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
59068 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
59069 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
59070 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
59071 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
59072 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
59073 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
59074 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
59075 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
59076 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
59077 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
59078 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
59079 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
59080 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
59081 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
59082 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
59083 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
59084 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
59085 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
59086 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
59087 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
59088 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
59089 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
59090 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
59091 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
59092 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
59093 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
59094 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
59095 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
59096 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
59097 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
59098 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
59099 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
59100 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
59101 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
59102 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
59103 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
59104 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
59105 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
59106 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
59107 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
59108 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
59109 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
59110 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
59111 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
59112 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
59113 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
59114 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
59115 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
59116 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
59117 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
59118 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
59119 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
59120 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
59121 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
59122 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
59123 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
59124 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
59125 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
59126 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
59127 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
59128 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
59129 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
59130 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
59131 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
59132 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
59133 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
59134 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
59135 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
59136 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
59137 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
59138 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
59139 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
59140 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
59141 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
59142 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
59143 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
59144 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
59145 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
59146 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
59147 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
59148 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
59149 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
59150 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
59151 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
59152 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
59153 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
59154 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
59155 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
59156 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
59157 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
59158 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
59159 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
59160 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
59161 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
59162 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
59163 s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
59164 s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
59165 s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
59166 s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
59167 s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
59168 s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
59169 s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
59170 s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
59171 s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
59172 r1 = r1 + dr
59173 END DO
59174
59175 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
59176 END SUBROUTINE
59177 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_4_exp_0 ( &
59178 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
59179 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
59180 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
59181 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
59182 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
59183 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
59184 r_pow_t, r_tmp, rr1_delta, rr2_delta
59185
59186 REAL(kind=dp) :: c1, c2, c3
59187 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
59188 & s_r_t_10, s_r_t_11, s_r_t_12
59189 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
59190 & s_r_t2_9, s_r_t2_10, s_r_t2_11, s_r_t2_12
59191 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
59192 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
59193 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
59194 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
59195 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
59196 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
59197 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
59198 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
59199 & h_to_c_10_11, h_to_c_11_11, h_to_c_0_12, h_to_c_1_12, h_to_c_2_12, h_to_c_3_12, h_to_c_4_12, h_to_c_5_12, h_to_c_6_12,&
59200 & h_to_c_7_12, h_to_c_8_12, h_to_c_9_12, h_to_c_10_12, h_to_c_11_12, h_to_c_12_12
59201 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
59202 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
59203 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
59204 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
59205 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
59206 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
59207 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
59208 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
59209 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
59210 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
59211
59212
59213 dr = lgth
59214 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
59215
59216 s_r(:, :, :) = 0.0_dp
59217
59218 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
59219
59220 h_to_c_0_0 = sqrt(alpha/pi)
59221
59222 h_to_c_0_1 = 0.0_dp
59223 h_to_c_1_1 = +2*alpha*h_to_c_0_0
59224 h_to_c_0_2 = -1*h_to_c_1_1
59225 h_to_c_1_2 = +2*alpha*h_to_c_0_1
59226 h_to_c_2_2 = +2*alpha*h_to_c_1_1
59227 h_to_c_0_3 = -1*h_to_c_1_2
59228 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
59229 h_to_c_2_3 = +2*alpha*h_to_c_1_2
59230 h_to_c_3_3 = +2*alpha*h_to_c_2_2
59231 h_to_c_0_4 = -1*h_to_c_1_3
59232 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
59233 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
59234 h_to_c_3_4 = +2*alpha*h_to_c_2_3
59235 h_to_c_4_4 = +2*alpha*h_to_c_3_3
59236 h_to_c_0_5 = -1*h_to_c_1_4
59237 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
59238 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
59239 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
59240 h_to_c_4_5 = +2*alpha*h_to_c_3_4
59241 h_to_c_5_5 = +2*alpha*h_to_c_4_4
59242 h_to_c_0_6 = -1*h_to_c_1_5
59243 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
59244 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
59245 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
59246 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
59247 h_to_c_5_6 = +2*alpha*h_to_c_4_5
59248 h_to_c_6_6 = +2*alpha*h_to_c_5_5
59249 h_to_c_0_7 = -1*h_to_c_1_6
59250 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
59251 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
59252 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
59253 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
59254 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
59255 h_to_c_6_7 = +2*alpha*h_to_c_5_6
59256 h_to_c_7_7 = +2*alpha*h_to_c_6_6
59257 h_to_c_0_8 = -1*h_to_c_1_7
59258 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
59259 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
59260 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
59261 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
59262 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
59263 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
59264 h_to_c_7_8 = +2*alpha*h_to_c_6_7
59265 h_to_c_8_8 = +2*alpha*h_to_c_7_7
59266 h_to_c_0_9 = -1*h_to_c_1_8
59267 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
59268 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
59269 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
59270 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
59271 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
59272 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
59273 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
59274 h_to_c_8_9 = +2*alpha*h_to_c_7_8
59275 h_to_c_9_9 = +2*alpha*h_to_c_8_8
59276 h_to_c_0_10 = -1*h_to_c_1_9
59277 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
59278 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
59279 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
59280 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
59281 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
59282 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
59283 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
59284 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
59285 h_to_c_9_10 = +2*alpha*h_to_c_8_9
59286 h_to_c_10_10 = +2*alpha*h_to_c_9_9
59287 h_to_c_0_11 = -1*h_to_c_1_10
59288 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
59289 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
59290 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
59291 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
59292 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
59293 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
59294 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
59295 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
59296 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
59297 h_to_c_10_11 = +2*alpha*h_to_c_9_10
59298 h_to_c_11_11 = +2*alpha*h_to_c_10_10
59299 h_to_c_0_12 = -1*h_to_c_1_11
59300 h_to_c_1_12 = -2*h_to_c_2_11 +2*alpha*h_to_c_0_11
59301 h_to_c_2_12 = -3*h_to_c_3_11 +2*alpha*h_to_c_1_11
59302 h_to_c_3_12 = -4*h_to_c_4_11 +2*alpha*h_to_c_2_11
59303 h_to_c_4_12 = -5*h_to_c_5_11 +2*alpha*h_to_c_3_11
59304 h_to_c_5_12 = -6*h_to_c_6_11 +2*alpha*h_to_c_4_11
59305 h_to_c_6_12 = -7*h_to_c_7_11 +2*alpha*h_to_c_5_11
59306 h_to_c_7_12 = -8*h_to_c_8_11 +2*alpha*h_to_c_6_11
59307 h_to_c_8_12 = -9*h_to_c_9_11 +2*alpha*h_to_c_7_11
59308 h_to_c_9_12 = -10*h_to_c_10_11 +2*alpha*h_to_c_8_11
59309 h_to_c_10_12 = -11*h_to_c_11_11 +2*alpha*h_to_c_9_11
59310 h_to_c_11_12 = +2*alpha*h_to_c_10_11
59311 h_to_c_12_12 = +2*alpha*h_to_c_11_11
59312
59313
59314 rr1_delta = (ra - rb)/dr
59315
59316 rr1_l = ceiling(-r_c(1) + rr1_delta)
59317 rr1_r = floor(r_c(1) + rr1_delta)
59318
59319 r1 = rr1_l*dr
59320
59321 alpha_e = zeta*zetb/(zeta + zetb)
59322
59323 DO rr1 = rr1_l, rr1_r
59324 s_r_t_0 = 0.0_dp
59325 s_r_t2_0 = 0.0_dp
59326 s_r_t_1 = 0.0_dp
59327 s_r_t2_1 = 0.0_dp
59328 s_r_t_2 = 0.0_dp
59329 s_r_t2_2 = 0.0_dp
59330 s_r_t_3 = 0.0_dp
59331 s_r_t2_3 = 0.0_dp
59332 s_r_t_4 = 0.0_dp
59333 s_r_t2_4 = 0.0_dp
59334 s_r_t_5 = 0.0_dp
59335 s_r_t2_5 = 0.0_dp
59336 s_r_t_6 = 0.0_dp
59337 s_r_t2_6 = 0.0_dp
59338 s_r_t_7 = 0.0_dp
59339 s_r_t2_7 = 0.0_dp
59340 s_r_t_8 = 0.0_dp
59341 s_r_t2_8 = 0.0_dp
59342 s_r_t_9 = 0.0_dp
59343 s_r_t2_9 = 0.0_dp
59344 s_r_t_10 = 0.0_dp
59345 s_r_t2_10 = 0.0_dp
59346 s_r_t_11 = 0.0_dp
59347 s_r_t2_11 = 0.0_dp
59348 s_r_t_12 = 0.0_dp
59349 s_r_t2_12 = 0.0_dp
59350 r_tmp = r_offset + r1*zeta/(zeta + zetb)
59351 rr2_delta = -r_tmp/dr
59352
59353 rr2_l = ceiling(-r_c(2) + rr2_delta)
59354 rr2_r = floor(r_c(2) + rr2_delta)
59355
59356 r = r_tmp + (rr2_l)*dr
59357
59358
59359 DO rr2 = rr2_l, rr2_r
59360 r_pow_t = 1.0_dp
59361 exp2_rsq = exp(-alpha*r*r)
59362 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
59363 r_pow_t = r_pow_t*r
59364 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
59365 r_pow_t = r_pow_t*r
59366 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
59367 r_pow_t = r_pow_t*r
59368 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
59369 r_pow_t = r_pow_t*r
59370 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
59371 r_pow_t = r_pow_t*r
59372 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
59373 r_pow_t = r_pow_t*r
59374 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
59375 r_pow_t = r_pow_t*r
59376 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
59377 r_pow_t = r_pow_t*r
59378 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
59379 r_pow_t = r_pow_t*r
59380 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
59381 r_pow_t = r_pow_t*r
59382 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
59383 r_pow_t = r_pow_t*r
59384 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
59385 r_pow_t = r_pow_t*r
59386 s_r_t_12 = s_r_t_12+r_pow_t*exp2_rsq
59387
59388 r = r + dr
59389 END DO
59390
59391 ! C --> H
59392 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
59393 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
59394 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
59395 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
59396 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
59397 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
59398 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
59399 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
59400 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
59401 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
59402 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
59403 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
59404 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
59405 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
59406 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
59407 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
59408 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
59409 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
59410 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
59411 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
59412 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
59413 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
59414 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
59415 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
59416 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
59417 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
59418 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
59419 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
59420 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
59421 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
59422 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
59423 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
59424 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
59425 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
59426 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
59427 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
59428 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
59429 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
59430 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
59431 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
59432 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
59433 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
59434 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
59435 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
59436 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
59437 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
59438 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
59439 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
59440 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
59441 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
59442 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
59443 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
59444 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
59445 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
59446 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
59447 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
59448 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
59449 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
59450 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
59451 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
59452 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
59453 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
59454 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
59455 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
59456 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
59457 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
59458 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
59459 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
59460 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
59461 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
59462 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
59463 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
59464 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
59465 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
59466 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
59467 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
59468 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
59469 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
59470 s_r_t2_12 = s_r_t2_12+h_to_c_0_12*s_r_t_0
59471 s_r_t2_12 = s_r_t2_12+h_to_c_1_12*s_r_t_1
59472 s_r_t2_12 = s_r_t2_12+h_to_c_2_12*s_r_t_2
59473 s_r_t2_12 = s_r_t2_12+h_to_c_3_12*s_r_t_3
59474 s_r_t2_12 = s_r_t2_12+h_to_c_4_12*s_r_t_4
59475 s_r_t2_12 = s_r_t2_12+h_to_c_5_12*s_r_t_5
59476 s_r_t2_12 = s_r_t2_12+h_to_c_6_12*s_r_t_6
59477 s_r_t2_12 = s_r_t2_12+h_to_c_7_12*s_r_t_7
59478 s_r_t2_12 = s_r_t2_12+h_to_c_8_12*s_r_t_8
59479 s_r_t2_12 = s_r_t2_12+h_to_c_9_12*s_r_t_9
59480 s_r_t2_12 = s_r_t2_12+h_to_c_10_12*s_r_t_10
59481 s_r_t2_12 = s_r_t2_12+h_to_c_11_12*s_r_t_11
59482 s_r_t2_12 = s_r_t2_12+h_to_c_12_12*s_r_t_12
59483
59484 ! H --> HH
59485 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
59486
59487 c1 = 1.0_dp/(zeta + zetb)
59488 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
59489 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
59490
59491 e_0_1_0 = zeta*( &
59492 +c2*e_0_0_0&
59493
59494 )
59495 e_0_0_1 = zetb*( &
59496 +c3*e_0_0_0&
59497
59498 )
59499 e_1_1_0 = zeta*( c1*e_0_0_0 &
59500
59501
59502 )
59503 e_1_0_1 = zetb*( c1*e_0_0_0 &
59504
59505
59506 )
59507 e_0_2_0 = zeta*( &
59508 +c2*e_0_1_0&
59509 +2*e_1_1_0 &
59510 -2*e_0_0_0)
59511 e_0_1_1 = zetb*( &
59512 +c3*e_0_1_0&
59513 +2*e_1_1_0 &
59514 )
59515 e_1_2_0 = zeta*( c1*e_0_1_0 &
59516 +c2*e_1_1_0&
59517
59518 )
59519 e_1_1_1 = zetb*( c1*e_0_1_0 &
59520 +c3*e_1_1_0&
59521
59522 )
59523 e_2_2_0 = zeta*( c1*e_1_1_0 &
59524
59525
59526 )
59527 e_2_1_1 = zetb*( c1*e_1_1_0 &
59528
59529
59530 )
59531 e_0_3_0 = zeta*( &
59532 +c2*e_0_2_0&
59533 +2*e_1_2_0 &
59534 -4*e_0_1_0)
59535 e_0_2_1 = zetb*( &
59536 +c3*e_0_2_0&
59537 +2*e_1_2_0 &
59538 )
59539 e_1_3_0 = zeta*( c1*e_0_2_0 &
59540 +c2*e_1_2_0&
59541 +4*e_2_2_0 &
59542 -4*e_1_1_0)
59543 e_1_2_1 = zetb*( c1*e_0_2_0 &
59544 +c3*e_1_2_0&
59545 +4*e_2_2_0 &
59546 )
59547 e_2_3_0 = zeta*( c1*e_1_2_0 &
59548 +c2*e_2_2_0&
59549
59550 )
59551 e_2_2_1 = zetb*( c1*e_1_2_0 &
59552 +c3*e_2_2_0&
59553
59554 )
59555 e_3_3_0 = zeta*( c1*e_2_2_0 &
59556
59557
59558 )
59559 e_3_2_1 = zetb*( c1*e_2_2_0 &
59560
59561
59562 )
59563 e_0_4_0 = zeta*( &
59564 +c2*e_0_3_0&
59565 +2*e_1_3_0 &
59566 -6*e_0_2_0)
59567 e_0_3_1 = zetb*( &
59568 +c3*e_0_3_0&
59569 +2*e_1_3_0 &
59570 )
59571 e_1_4_0 = zeta*( c1*e_0_3_0 &
59572 +c2*e_1_3_0&
59573 +4*e_2_3_0 &
59574 -6*e_1_2_0)
59575 e_1_3_1 = zetb*( c1*e_0_3_0 &
59576 +c3*e_1_3_0&
59577 +4*e_2_3_0 &
59578 )
59579 e_2_4_0 = zeta*( c1*e_1_3_0 &
59580 +c2*e_2_3_0&
59581 +6*e_3_3_0 &
59582 -6*e_2_2_0)
59583 e_2_3_1 = zetb*( c1*e_1_3_0 &
59584 +c3*e_2_3_0&
59585 +6*e_3_3_0 &
59586 )
59587 e_3_4_0 = zeta*( c1*e_2_3_0 &
59588 +c2*e_3_3_0&
59589
59590 )
59591 e_3_3_1 = zetb*( c1*e_2_3_0 &
59592 +c3*e_3_3_0&
59593
59594 )
59595 e_4_4_0 = zeta*( c1*e_3_3_0 &
59596
59597
59598 )
59599 e_4_3_1 = zetb*( c1*e_3_3_0 &
59600
59601
59602 )
59603 e_0_4_1 = zetb*( &
59604 +c3*e_0_4_0&
59605 +2*e_1_4_0 &
59606 )
59607 e_1_4_1 = zetb*( c1*e_0_4_0 &
59608 +c3*e_1_4_0&
59609 +4*e_2_4_0 &
59610 )
59611 e_2_4_1 = zetb*( c1*e_1_4_0 &
59612 +c3*e_2_4_0&
59613 +6*e_3_4_0 &
59614 )
59615 e_3_4_1 = zetb*( c1*e_2_4_0 &
59616 +c3*e_3_4_0&
59617 +8*e_4_4_0 &
59618 )
59619 e_4_4_1 = zetb*( c1*e_3_4_0 &
59620 +c3*e_4_4_0&
59621
59622 )
59623 e_5_4_1 = zetb*( c1*e_4_4_0 &
59624
59625
59626 )
59627 e_0_1_1 = zeta*( &
59628 +c2*e_0_0_1&
59629 +2*e_1_0_1 &
59630 )
59631 e_0_0_2 = zetb*( &
59632 +c3*e_0_0_1&
59633 +2*e_1_0_1 &
59634 -2*e_0_0_0)
59635 e_1_1_1 = zeta*( c1*e_0_0_1 &
59636 +c2*e_1_0_1&
59637
59638 )
59639 e_1_0_2 = zetb*( c1*e_0_0_1 &
59640 +c3*e_1_0_1&
59641
59642 )
59643 e_2_1_1 = zeta*( c1*e_1_0_1 &
59644
59645
59646 )
59647 e_2_0_2 = zetb*( c1*e_1_0_1 &
59648
59649
59650 )
59651 e_0_2_1 = zeta*( &
59652 +c2*e_0_1_1&
59653 +2*e_1_1_1 &
59654 -2*e_0_0_1)
59655 e_0_1_2 = zetb*( &
59656 +c3*e_0_1_1&
59657 +2*e_1_1_1 &
59658 -2*e_0_1_0)
59659 e_1_2_1 = zeta*( c1*e_0_1_1 &
59660 +c2*e_1_1_1&
59661 +4*e_2_1_1 &
59662 -2*e_1_0_1)
59663 e_1_1_2 = zetb*( c1*e_0_1_1 &
59664 +c3*e_1_1_1&
59665 +4*e_2_1_1 &
59666 -2*e_1_1_0)
59667 e_2_2_1 = zeta*( c1*e_1_1_1 &
59668 +c2*e_2_1_1&
59669
59670 )
59671 e_2_1_2 = zetb*( c1*e_1_1_1 &
59672 +c3*e_2_1_1&
59673
59674 )
59675 e_3_2_1 = zeta*( c1*e_2_1_1 &
59676
59677
59678 )
59679 e_3_1_2 = zetb*( c1*e_2_1_1 &
59680
59681
59682 )
59683 e_0_3_1 = zeta*( &
59684 +c2*e_0_2_1&
59685 +2*e_1_2_1 &
59686 -4*e_0_1_1)
59687 e_0_2_2 = zetb*( &
59688 +c3*e_0_2_1&
59689 +2*e_1_2_1 &
59690 -2*e_0_2_0)
59691 e_1_3_1 = zeta*( c1*e_0_2_1 &
59692 +c2*e_1_2_1&
59693 +4*e_2_2_1 &
59694 -4*e_1_1_1)
59695 e_1_2_2 = zetb*( c1*e_0_2_1 &
59696 +c3*e_1_2_1&
59697 +4*e_2_2_1 &
59698 -2*e_1_2_0)
59699 e_2_3_1 = zeta*( c1*e_1_2_1 &
59700 +c2*e_2_2_1&
59701 +6*e_3_2_1 &
59702 -4*e_2_1_1)
59703 e_2_2_2 = zetb*( c1*e_1_2_1 &
59704 +c3*e_2_2_1&
59705 +6*e_3_2_1 &
59706 -2*e_2_2_0)
59707 e_3_3_1 = zeta*( c1*e_2_2_1 &
59708 +c2*e_3_2_1&
59709
59710 )
59711 e_3_2_2 = zetb*( c1*e_2_2_1 &
59712 +c3*e_3_2_1&
59713
59714 )
59715 e_4_3_1 = zeta*( c1*e_3_2_1 &
59716
59717
59718 )
59719 e_4_2_2 = zetb*( c1*e_3_2_1 &
59720
59721
59722 )
59723 e_0_4_1 = zeta*( &
59724 +c2*e_0_3_1&
59725 +2*e_1_3_1 &
59726 -6*e_0_2_1)
59727 e_0_3_2 = zetb*( &
59728 +c3*e_0_3_1&
59729 +2*e_1_3_1 &
59730 -2*e_0_3_0)
59731 e_1_4_1 = zeta*( c1*e_0_3_1 &
59732 +c2*e_1_3_1&
59733 +4*e_2_3_1 &
59734 -6*e_1_2_1)
59735 e_1_3_2 = zetb*( c1*e_0_3_1 &
59736 +c3*e_1_3_1&
59737 +4*e_2_3_1 &
59738 -2*e_1_3_0)
59739 e_2_4_1 = zeta*( c1*e_1_3_1 &
59740 +c2*e_2_3_1&
59741 +6*e_3_3_1 &
59742 -6*e_2_2_1)
59743 e_2_3_2 = zetb*( c1*e_1_3_1 &
59744 +c3*e_2_3_1&
59745 +6*e_3_3_1 &
59746 -2*e_2_3_0)
59747 e_3_4_1 = zeta*( c1*e_2_3_1 &
59748 +c2*e_3_3_1&
59749 +8*e_4_3_1 &
59750 -6*e_3_2_1)
59751 e_3_3_2 = zetb*( c1*e_2_3_1 &
59752 +c3*e_3_3_1&
59753 +8*e_4_3_1 &
59754 -2*e_3_3_0)
59755 e_4_4_1 = zeta*( c1*e_3_3_1 &
59756 +c2*e_4_3_1&
59757
59758 )
59759 e_4_3_2 = zetb*( c1*e_3_3_1 &
59760 +c3*e_4_3_1&
59761
59762 )
59763 e_5_4_1 = zeta*( c1*e_4_3_1 &
59764
59765
59766 )
59767 e_5_3_2 = zetb*( c1*e_4_3_1 &
59768
59769
59770 )
59771 e_0_4_2 = zetb*( &
59772 +c3*e_0_4_1&
59773 +2*e_1_4_1 &
59774 -2*e_0_4_0)
59775 e_1_4_2 = zetb*( c1*e_0_4_1 &
59776 +c3*e_1_4_1&
59777 +4*e_2_4_1 &
59778 -2*e_1_4_0)
59779 e_2_4_2 = zetb*( c1*e_1_4_1 &
59780 +c3*e_2_4_1&
59781 +6*e_3_4_1 &
59782 -2*e_2_4_0)
59783 e_3_4_2 = zetb*( c1*e_2_4_1 &
59784 +c3*e_3_4_1&
59785 +8*e_4_4_1 &
59786 -2*e_3_4_0)
59787 e_4_4_2 = zetb*( c1*e_3_4_1 &
59788 +c3*e_4_4_1&
59789 +10*e_5_4_1 &
59790 -2*e_4_4_0)
59791 e_5_4_2 = zetb*( c1*e_4_4_1 &
59792 +c3*e_5_4_1&
59793
59794 )
59795 e_6_4_2 = zetb*( c1*e_5_4_1 &
59796
59797
59798 )
59799 e_0_1_2 = zeta*( &
59800 +c2*e_0_0_2&
59801 +2*e_1_0_2 &
59802 )
59803 e_0_0_3 = zetb*( &
59804 +c3*e_0_0_2&
59805 +2*e_1_0_2 &
59806 -4*e_0_0_1)
59807 e_1_1_2 = zeta*( c1*e_0_0_2 &
59808 +c2*e_1_0_2&
59809 +4*e_2_0_2 &
59810 )
59811 e_1_0_3 = zetb*( c1*e_0_0_2 &
59812 +c3*e_1_0_2&
59813 +4*e_2_0_2 &
59814 -4*e_1_0_1)
59815 e_2_1_2 = zeta*( c1*e_1_0_2 &
59816 +c2*e_2_0_2&
59817
59818 )
59819 e_2_0_3 = zetb*( c1*e_1_0_2 &
59820 +c3*e_2_0_2&
59821
59822 )
59823 e_3_1_2 = zeta*( c1*e_2_0_2 &
59824
59825
59826 )
59827 e_3_0_3 = zetb*( c1*e_2_0_2 &
59828
59829
59830 )
59831 e_0_2_2 = zeta*( &
59832 +c2*e_0_1_2&
59833 +2*e_1_1_2 &
59834 -2*e_0_0_2)
59835 e_0_1_3 = zetb*( &
59836 +c3*e_0_1_2&
59837 +2*e_1_1_2 &
59838 -4*e_0_1_1)
59839 e_1_2_2 = zeta*( c1*e_0_1_2 &
59840 +c2*e_1_1_2&
59841 +4*e_2_1_2 &
59842 -2*e_1_0_2)
59843 e_1_1_3 = zetb*( c1*e_0_1_2 &
59844 +c3*e_1_1_2&
59845 +4*e_2_1_2 &
59846 -4*e_1_1_1)
59847 e_2_2_2 = zeta*( c1*e_1_1_2 &
59848 +c2*e_2_1_2&
59849 +6*e_3_1_2 &
59850 -2*e_2_0_2)
59851 e_2_1_3 = zetb*( c1*e_1_1_2 &
59852 +c3*e_2_1_2&
59853 +6*e_3_1_2 &
59854 -4*e_2_1_1)
59855 e_3_2_2 = zeta*( c1*e_2_1_2 &
59856 +c2*e_3_1_2&
59857
59858 )
59859 e_3_1_3 = zetb*( c1*e_2_1_2 &
59860 +c3*e_3_1_2&
59861
59862 )
59863 e_4_2_2 = zeta*( c1*e_3_1_2 &
59864
59865
59866 )
59867 e_4_1_3 = zetb*( c1*e_3_1_2 &
59868
59869
59870 )
59871 e_0_3_2 = zeta*( &
59872 +c2*e_0_2_2&
59873 +2*e_1_2_2 &
59874 -4*e_0_1_2)
59875 e_0_2_3 = zetb*( &
59876 +c3*e_0_2_2&
59877 +2*e_1_2_2 &
59878 -4*e_0_2_1)
59879 e_1_3_2 = zeta*( c1*e_0_2_2 &
59880 +c2*e_1_2_2&
59881 +4*e_2_2_2 &
59882 -4*e_1_1_2)
59883 e_1_2_3 = zetb*( c1*e_0_2_2 &
59884 +c3*e_1_2_2&
59885 +4*e_2_2_2 &
59886 -4*e_1_2_1)
59887 e_2_3_2 = zeta*( c1*e_1_2_2 &
59888 +c2*e_2_2_2&
59889 +6*e_3_2_2 &
59890 -4*e_2_1_2)
59891 e_2_2_3 = zetb*( c1*e_1_2_2 &
59892 +c3*e_2_2_2&
59893 +6*e_3_2_2 &
59894 -4*e_2_2_1)
59895 e_3_3_2 = zeta*( c1*e_2_2_2 &
59896 +c2*e_3_2_2&
59897 +8*e_4_2_2 &
59898 -4*e_3_1_2)
59899 e_3_2_3 = zetb*( c1*e_2_2_2 &
59900 +c3*e_3_2_2&
59901 +8*e_4_2_2 &
59902 -4*e_3_2_1)
59903 e_4_3_2 = zeta*( c1*e_3_2_2 &
59904 +c2*e_4_2_2&
59905
59906 )
59907 e_4_2_3 = zetb*( c1*e_3_2_2 &
59908 +c3*e_4_2_2&
59909
59910 )
59911 e_5_3_2 = zeta*( c1*e_4_2_2 &
59912
59913
59914 )
59915 e_5_2_3 = zetb*( c1*e_4_2_2 &
59916
59917
59918 )
59919 e_0_4_2 = zeta*( &
59920 +c2*e_0_3_2&
59921 +2*e_1_3_2 &
59922 -6*e_0_2_2)
59923 e_0_3_3 = zetb*( &
59924 +c3*e_0_3_2&
59925 +2*e_1_3_2 &
59926 -4*e_0_3_1)
59927 e_1_4_2 = zeta*( c1*e_0_3_2 &
59928 +c2*e_1_3_2&
59929 +4*e_2_3_2 &
59930 -6*e_1_2_2)
59931 e_1_3_3 = zetb*( c1*e_0_3_2 &
59932 +c3*e_1_3_2&
59933 +4*e_2_3_2 &
59934 -4*e_1_3_1)
59935 e_2_4_2 = zeta*( c1*e_1_3_2 &
59936 +c2*e_2_3_2&
59937 +6*e_3_3_2 &
59938 -6*e_2_2_2)
59939 e_2_3_3 = zetb*( c1*e_1_3_2 &
59940 +c3*e_2_3_2&
59941 +6*e_3_3_2 &
59942 -4*e_2_3_1)
59943 e_3_4_2 = zeta*( c1*e_2_3_2 &
59944 +c2*e_3_3_2&
59945 +8*e_4_3_2 &
59946 -6*e_3_2_2)
59947 e_3_3_3 = zetb*( c1*e_2_3_2 &
59948 +c3*e_3_3_2&
59949 +8*e_4_3_2 &
59950 -4*e_3_3_1)
59951 e_4_4_2 = zeta*( c1*e_3_3_2 &
59952 +c2*e_4_3_2&
59953 +10*e_5_3_2 &
59954 -6*e_4_2_2)
59955 e_4_3_3 = zetb*( c1*e_3_3_2 &
59956 +c3*e_4_3_2&
59957 +10*e_5_3_2 &
59958 -4*e_4_3_1)
59959 e_5_4_2 = zeta*( c1*e_4_3_2 &
59960 +c2*e_5_3_2&
59961
59962 )
59963 e_5_3_3 = zetb*( c1*e_4_3_2 &
59964 +c3*e_5_3_2&
59965
59966 )
59967 e_6_4_2 = zeta*( c1*e_5_3_2 &
59968
59969
59970 )
59971 e_6_3_3 = zetb*( c1*e_5_3_2 &
59972
59973
59974 )
59975 e_0_4_3 = zetb*( &
59976 +c3*e_0_4_2&
59977 +2*e_1_4_2 &
59978 -4*e_0_4_1)
59979 e_1_4_3 = zetb*( c1*e_0_4_2 &
59980 +c3*e_1_4_2&
59981 +4*e_2_4_2 &
59982 -4*e_1_4_1)
59983 e_2_4_3 = zetb*( c1*e_1_4_2 &
59984 +c3*e_2_4_2&
59985 +6*e_3_4_2 &
59986 -4*e_2_4_1)
59987 e_3_4_3 = zetb*( c1*e_2_4_2 &
59988 +c3*e_3_4_2&
59989 +8*e_4_4_2 &
59990 -4*e_3_4_1)
59991 e_4_4_3 = zetb*( c1*e_3_4_2 &
59992 +c3*e_4_4_2&
59993 +10*e_5_4_2 &
59994 -4*e_4_4_1)
59995 e_5_4_3 = zetb*( c1*e_4_4_2 &
59996 +c3*e_5_4_2&
59997 +12*e_6_4_2 &
59998 -4*e_5_4_1)
59999 e_6_4_3 = zetb*( c1*e_5_4_2 &
60000 +c3*e_6_4_2&
60001
60002 )
60003 e_7_4_3 = zetb*( c1*e_6_4_2 &
60004
60005
60006 )
60007 e_0_1_3 = zeta*( &
60008 +c2*e_0_0_3&
60009 +2*e_1_0_3 &
60010 )
60011 e_0_0_4 = zetb*( &
60012 +c3*e_0_0_3&
60013 +2*e_1_0_3 &
60014 -6*e_0_0_2)
60015 e_1_1_3 = zeta*( c1*e_0_0_3 &
60016 +c2*e_1_0_3&
60017 +4*e_2_0_3 &
60018 )
60019 e_1_0_4 = zetb*( c1*e_0_0_3 &
60020 +c3*e_1_0_3&
60021 +4*e_2_0_3 &
60022 -6*e_1_0_2)
60023 e_2_1_3 = zeta*( c1*e_1_0_3 &
60024 +c2*e_2_0_3&
60025 +6*e_3_0_3 &
60026 )
60027 e_2_0_4 = zetb*( c1*e_1_0_3 &
60028 +c3*e_2_0_3&
60029 +6*e_3_0_3 &
60030 -6*e_2_0_2)
60031 e_3_1_3 = zeta*( c1*e_2_0_3 &
60032 +c2*e_3_0_3&
60033
60034 )
60035 e_3_0_4 = zetb*( c1*e_2_0_3 &
60036 +c3*e_3_0_3&
60037
60038 )
60039 e_4_1_3 = zeta*( c1*e_3_0_3 &
60040
60041
60042 )
60043 e_4_0_4 = zetb*( c1*e_3_0_3 &
60044
60045
60046 )
60047 e_0_2_3 = zeta*( &
60048 +c2*e_0_1_3&
60049 +2*e_1_1_3 &
60050 -2*e_0_0_3)
60051 e_0_1_4 = zetb*( &
60052 +c3*e_0_1_3&
60053 +2*e_1_1_3 &
60054 -6*e_0_1_2)
60055 e_1_2_3 = zeta*( c1*e_0_1_3 &
60056 +c2*e_1_1_3&
60057 +4*e_2_1_3 &
60058 -2*e_1_0_3)
60059 e_1_1_4 = zetb*( c1*e_0_1_3 &
60060 +c3*e_1_1_3&
60061 +4*e_2_1_3 &
60062 -6*e_1_1_2)
60063 e_2_2_3 = zeta*( c1*e_1_1_3 &
60064 +c2*e_2_1_3&
60065 +6*e_3_1_3 &
60066 -2*e_2_0_3)
60067 e_2_1_4 = zetb*( c1*e_1_1_3 &
60068 +c3*e_2_1_3&
60069 +6*e_3_1_3 &
60070 -6*e_2_1_2)
60071 e_3_2_3 = zeta*( c1*e_2_1_3 &
60072 +c2*e_3_1_3&
60073 +8*e_4_1_3 &
60074 -2*e_3_0_3)
60075 e_3_1_4 = zetb*( c1*e_2_1_3 &
60076 +c3*e_3_1_3&
60077 +8*e_4_1_3 &
60078 -6*e_3_1_2)
60079 e_4_2_3 = zeta*( c1*e_3_1_3 &
60080 +c2*e_4_1_3&
60081
60082 )
60083 e_4_1_4 = zetb*( c1*e_3_1_3 &
60084 +c3*e_4_1_3&
60085
60086 )
60087 e_5_2_3 = zeta*( c1*e_4_1_3 &
60088
60089
60090 )
60091 e_5_1_4 = zetb*( c1*e_4_1_3 &
60092
60093
60094 )
60095 e_0_3_3 = zeta*( &
60096 +c2*e_0_2_3&
60097 +2*e_1_2_3 &
60098 -4*e_0_1_3)
60099 e_0_2_4 = zetb*( &
60100 +c3*e_0_2_3&
60101 +2*e_1_2_3 &
60102 -6*e_0_2_2)
60103 e_1_3_3 = zeta*( c1*e_0_2_3 &
60104 +c2*e_1_2_3&
60105 +4*e_2_2_3 &
60106 -4*e_1_1_3)
60107 e_1_2_4 = zetb*( c1*e_0_2_3 &
60108 +c3*e_1_2_3&
60109 +4*e_2_2_3 &
60110 -6*e_1_2_2)
60111 e_2_3_3 = zeta*( c1*e_1_2_3 &
60112 +c2*e_2_2_3&
60113 +6*e_3_2_3 &
60114 -4*e_2_1_3)
60115 e_2_2_4 = zetb*( c1*e_1_2_3 &
60116 +c3*e_2_2_3&
60117 +6*e_3_2_3 &
60118 -6*e_2_2_2)
60119 e_3_3_3 = zeta*( c1*e_2_2_3 &
60120 +c2*e_3_2_3&
60121 +8*e_4_2_3 &
60122 -4*e_3_1_3)
60123 e_3_2_4 = zetb*( c1*e_2_2_3 &
60124 +c3*e_3_2_3&
60125 +8*e_4_2_3 &
60126 -6*e_3_2_2)
60127 e_4_3_3 = zeta*( c1*e_3_2_3 &
60128 +c2*e_4_2_3&
60129 +10*e_5_2_3 &
60130 -4*e_4_1_3)
60131 e_4_2_4 = zetb*( c1*e_3_2_3 &
60132 +c3*e_4_2_3&
60133 +10*e_5_2_3 &
60134 -6*e_4_2_2)
60135 e_5_3_3 = zeta*( c1*e_4_2_3 &
60136 +c2*e_5_2_3&
60137
60138 )
60139 e_5_2_4 = zetb*( c1*e_4_2_3 &
60140 +c3*e_5_2_3&
60141
60142 )
60143 e_6_3_3 = zeta*( c1*e_5_2_3 &
60144
60145
60146 )
60147 e_6_2_4 = zetb*( c1*e_5_2_3 &
60148
60149
60150 )
60151 e_0_4_3 = zeta*( &
60152 +c2*e_0_3_3&
60153 +2*e_1_3_3 &
60154 -6*e_0_2_3)
60155 e_0_3_4 = zetb*( &
60156 +c3*e_0_3_3&
60157 +2*e_1_3_3 &
60158 -6*e_0_3_2)
60159 e_1_4_3 = zeta*( c1*e_0_3_3 &
60160 +c2*e_1_3_3&
60161 +4*e_2_3_3 &
60162 -6*e_1_2_3)
60163 e_1_3_4 = zetb*( c1*e_0_3_3 &
60164 +c3*e_1_3_3&
60165 +4*e_2_3_3 &
60166 -6*e_1_3_2)
60167 e_2_4_3 = zeta*( c1*e_1_3_3 &
60168 +c2*e_2_3_3&
60169 +6*e_3_3_3 &
60170 -6*e_2_2_3)
60171 e_2_3_4 = zetb*( c1*e_1_3_3 &
60172 +c3*e_2_3_3&
60173 +6*e_3_3_3 &
60174 -6*e_2_3_2)
60175 e_3_4_3 = zeta*( c1*e_2_3_3 &
60176 +c2*e_3_3_3&
60177 +8*e_4_3_3 &
60178 -6*e_3_2_3)
60179 e_3_3_4 = zetb*( c1*e_2_3_3 &
60180 +c3*e_3_3_3&
60181 +8*e_4_3_3 &
60182 -6*e_3_3_2)
60183 e_4_4_3 = zeta*( c1*e_3_3_3 &
60184 +c2*e_4_3_3&
60185 +10*e_5_3_3 &
60186 -6*e_4_2_3)
60187 e_4_3_4 = zetb*( c1*e_3_3_3 &
60188 +c3*e_4_3_3&
60189 +10*e_5_3_3 &
60190 -6*e_4_3_2)
60191 e_5_4_3 = zeta*( c1*e_4_3_3 &
60192 +c2*e_5_3_3&
60193 +12*e_6_3_3 &
60194 -6*e_5_2_3)
60195 e_5_3_4 = zetb*( c1*e_4_3_3 &
60196 +c3*e_5_3_3&
60197 +12*e_6_3_3 &
60198 -6*e_5_3_2)
60199 e_6_4_3 = zeta*( c1*e_5_3_3 &
60200 +c2*e_6_3_3&
60201
60202 )
60203 e_6_3_4 = zetb*( c1*e_5_3_3 &
60204 +c3*e_6_3_3&
60205
60206 )
60207 e_7_4_3 = zeta*( c1*e_6_3_3 &
60208
60209
60210 )
60211 e_7_3_4 = zetb*( c1*e_6_3_3 &
60212
60213
60214 )
60215 e_0_4_4 = zetb*( &
60216 +c3*e_0_4_3&
60217 +2*e_1_4_3 &
60218 -6*e_0_4_2)
60219 e_1_4_4 = zetb*( c1*e_0_4_3 &
60220 +c3*e_1_4_3&
60221 +4*e_2_4_3 &
60222 -6*e_1_4_2)
60223 e_2_4_4 = zetb*( c1*e_1_4_3 &
60224 +c3*e_2_4_3&
60225 +6*e_3_4_3 &
60226 -6*e_2_4_2)
60227 e_3_4_4 = zetb*( c1*e_2_4_3 &
60228 +c3*e_3_4_3&
60229 +8*e_4_4_3 &
60230 -6*e_3_4_2)
60231 e_4_4_4 = zetb*( c1*e_3_4_3 &
60232 +c3*e_4_4_3&
60233 +10*e_5_4_3 &
60234 -6*e_4_4_2)
60235 e_5_4_4 = zetb*( c1*e_4_4_3 &
60236 +c3*e_5_4_3&
60237 +12*e_6_4_3 &
60238 -6*e_5_4_2)
60239 e_6_4_4 = zetb*( c1*e_5_4_3 &
60240 +c3*e_6_4_3&
60241 +14*e_7_4_3 &
60242 -6*e_6_4_2)
60243 e_7_4_4 = zetb*( c1*e_6_4_3 &
60244 +c3*e_7_4_3&
60245
60246 )
60247 e_8_4_4 = zetb*( c1*e_7_4_3 &
60248
60249
60250 )
60251 e_0_1_4 = zeta*( &
60252 +c2*e_0_0_4&
60253 +2*e_1_0_4 &
60254 )
60255 e_1_1_4 = zeta*( c1*e_0_0_4 &
60256 +c2*e_1_0_4&
60257 +4*e_2_0_4 &
60258 )
60259 e_2_1_4 = zeta*( c1*e_1_0_4 &
60260 +c2*e_2_0_4&
60261 +6*e_3_0_4 &
60262 )
60263 e_3_1_4 = zeta*( c1*e_2_0_4 &
60264 +c2*e_3_0_4&
60265 +8*e_4_0_4 &
60266 )
60267 e_4_1_4 = zeta*( c1*e_3_0_4 &
60268 +c2*e_4_0_4&
60269
60270 )
60271 e_5_1_4 = zeta*( c1*e_4_0_4 &
60272
60273
60274 )
60275 e_0_2_4 = zeta*( &
60276 +c2*e_0_1_4&
60277 +2*e_1_1_4 &
60278 -2*e_0_0_4)
60279 e_1_2_4 = zeta*( c1*e_0_1_4 &
60280 +c2*e_1_1_4&
60281 +4*e_2_1_4 &
60282 -2*e_1_0_4)
60283 e_2_2_4 = zeta*( c1*e_1_1_4 &
60284 +c2*e_2_1_4&
60285 +6*e_3_1_4 &
60286 -2*e_2_0_4)
60287 e_3_2_4 = zeta*( c1*e_2_1_4 &
60288 +c2*e_3_1_4&
60289 +8*e_4_1_4 &
60290 -2*e_3_0_4)
60291 e_4_2_4 = zeta*( c1*e_3_1_4 &
60292 +c2*e_4_1_4&
60293 +10*e_5_1_4 &
60294 -2*e_4_0_4)
60295 e_5_2_4 = zeta*( c1*e_4_1_4 &
60296 +c2*e_5_1_4&
60297
60298 )
60299 e_6_2_4 = zeta*( c1*e_5_1_4 &
60300
60301
60302 )
60303 e_0_3_4 = zeta*( &
60304 +c2*e_0_2_4&
60305 +2*e_1_2_4 &
60306 -4*e_0_1_4)
60307 e_1_3_4 = zeta*( c1*e_0_2_4 &
60308 +c2*e_1_2_4&
60309 +4*e_2_2_4 &
60310 -4*e_1_1_4)
60311 e_2_3_4 = zeta*( c1*e_1_2_4 &
60312 +c2*e_2_2_4&
60313 +6*e_3_2_4 &
60314 -4*e_2_1_4)
60315 e_3_3_4 = zeta*( c1*e_2_2_4 &
60316 +c2*e_3_2_4&
60317 +8*e_4_2_4 &
60318 -4*e_3_1_4)
60319 e_4_3_4 = zeta*( c1*e_3_2_4 &
60320 +c2*e_4_2_4&
60321 +10*e_5_2_4 &
60322 -4*e_4_1_4)
60323 e_5_3_4 = zeta*( c1*e_4_2_4 &
60324 +c2*e_5_2_4&
60325 +12*e_6_2_4 &
60326 -4*e_5_1_4)
60327 e_6_3_4 = zeta*( c1*e_5_2_4 &
60328 +c2*e_6_2_4&
60329
60330 )
60331 e_7_3_4 = zeta*( c1*e_6_2_4 &
60332
60333
60334 )
60335 e_0_4_4 = zeta*( &
60336 +c2*e_0_3_4&
60337 +2*e_1_3_4 &
60338 -6*e_0_2_4)
60339 e_1_4_4 = zeta*( c1*e_0_3_4 &
60340 +c2*e_1_3_4&
60341 +4*e_2_3_4 &
60342 -6*e_1_2_4)
60343 e_2_4_4 = zeta*( c1*e_1_3_4 &
60344 +c2*e_2_3_4&
60345 +6*e_3_3_4 &
60346 -6*e_2_2_4)
60347 e_3_4_4 = zeta*( c1*e_2_3_4 &
60348 +c2*e_3_3_4&
60349 +8*e_4_3_4 &
60350 -6*e_3_2_4)
60351 e_4_4_4 = zeta*( c1*e_3_3_4 &
60352 +c2*e_4_3_4&
60353 +10*e_5_3_4 &
60354 -6*e_4_2_4)
60355 e_5_4_4 = zeta*( c1*e_4_3_4 &
60356 +c2*e_5_3_4&
60357 +12*e_6_3_4 &
60358 -6*e_5_2_4)
60359 e_6_4_4 = zeta*( c1*e_5_3_4 &
60360 +c2*e_6_3_4&
60361 +14*e_7_3_4 &
60362 -6*e_6_2_4)
60363 e_7_4_4 = zeta*( c1*e_6_3_4 &
60364 +c2*e_7_3_4&
60365
60366 )
60367 e_8_4_4 = zeta*( c1*e_7_3_4 &
60368
60369
60370 )
60371
60372 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
60373 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
60374 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
60375 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
60376 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
60377 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
60378 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
60379 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
60380 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
60381 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
60382 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
60383 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
60384 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
60385 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
60386 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60387 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
60388 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
60389 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
60390 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
60391 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
60392 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
60393 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
60394 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
60395 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
60396 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
60397 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
60398 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
60399 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
60400 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60401 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
60402 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
60403 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
60404 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
60405 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60406 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60407 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
60408 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
60409 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
60410 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
60411 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
60412 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
60413 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
60414 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
60415 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
60416 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
60417 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
60418 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60419 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
60420 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
60421 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
60422 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
60423 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60424 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60425 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
60426 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
60427 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
60428 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
60429 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60430 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60431 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60432 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
60433 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
60434 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
60435 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
60436 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
60437 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
60438 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
60439 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
60440 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60441 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
60442 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
60443 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
60444 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
60445 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60446 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60447 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
60448 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
60449 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
60450 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
60451 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60452 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60453 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60454 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
60455 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
60456 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
60457 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
60458 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60459 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60460 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60461 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60462 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
60463 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
60464 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
60465 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
60466 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60467 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
60468 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
60469 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
60470 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
60471 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60472 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60473 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
60474 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
60475 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
60476 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
60477 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60478 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60479 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60480 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
60481 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
60482 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
60483 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
60484 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60485 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60486 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60487 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60488 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
60489 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
60490 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
60491 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
60492 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60493 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60494 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60495 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60496 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60497 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
60498 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
60499 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
60500 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
60501 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
60502 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
60503 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
60504 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
60505 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
60506 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
60507 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
60508 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
60509 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
60510 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
60511 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
60512 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
60513 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
60514 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
60515 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
60516 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
60517 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
60518 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
60519 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
60520 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
60521 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
60522 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
60523 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
60524 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
60525 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
60526 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
60527 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
60528 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
60529 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
60530 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
60531 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
60532 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
60533 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
60534 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
60535 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
60536 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
60537 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
60538 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
60539 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
60540 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
60541 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
60542 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
60543 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
60544 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
60545 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
60546 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
60547 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
60548 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
60549 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
60550 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
60551 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
60552 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
60553 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
60554 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
60555 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
60556 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
60557 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
60558 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
60559 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
60560 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
60561 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
60562 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
60563 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
60564 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
60565 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
60566 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
60567 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
60568 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
60569 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
60570 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
60571 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
60572 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
60573 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
60574 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
60575 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
60576 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
60577 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
60578 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
60579 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
60580 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
60581 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
60582 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
60583 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
60584 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
60585 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
60586 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
60587 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
60588 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
60589 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
60590 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
60591 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
60592 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
60593 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
60594 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
60595 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
60596 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
60597 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
60598 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
60599 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
60600 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
60601 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
60602 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
60603 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
60604 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
60605 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
60606 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
60607 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
60608 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
60609 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
60610 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
60611 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
60612 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
60613 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
60614 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
60615 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
60616 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
60617 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
60618 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
60619 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
60620 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
60621 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
60622 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
60623 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
60624 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
60625 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
60626 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
60627 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
60628 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
60629 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
60630 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
60631 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
60632 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
60633 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
60634 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60635 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
60636 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
60637 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
60638 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
60639 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
60640 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
60641 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
60642 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
60643 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
60644 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
60645 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
60646 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
60647 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
60648 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60649 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
60650 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
60651 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
60652 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
60653 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60654 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60655 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
60656 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
60657 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
60658 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
60659 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
60660 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
60661 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
60662 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
60663 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
60664 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
60665 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
60666 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60667 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
60668 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
60669 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
60670 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
60671 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60672 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60673 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
60674 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
60675 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
60676 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
60677 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60678 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60679 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60680 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
60681 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
60682 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
60683 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
60684 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
60685 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
60686 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
60687 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
60688 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60689 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
60690 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
60691 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
60692 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
60693 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60694 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60695 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
60696 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
60697 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
60698 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
60699 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60700 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60701 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60702 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
60703 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
60704 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
60705 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
60706 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60707 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60708 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60709 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60710 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
60711 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
60712 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
60713 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
60714 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60715 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
60716 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
60717 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
60718 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
60719 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60720 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60721 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
60722 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
60723 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
60724 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
60725 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60726 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60727 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60728 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
60729 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
60730 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
60731 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
60732 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60733 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60734 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60735 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60736 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
60737 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
60738 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
60739 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
60740 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60741 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60742 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60743 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60744 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60745 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
60746 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
60747 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
60748 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
60749 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
60750 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
60751 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
60752 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
60753 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
60754 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
60755 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
60756 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
60757 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
60758 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
60759 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
60760 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
60761 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
60762 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
60763 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
60764 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
60765 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
60766 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
60767 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
60768 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
60769 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
60770 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
60771 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
60772 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
60773 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
60774 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
60775 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
60776 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
60777 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
60778 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
60779 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
60780 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
60781 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
60782 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
60783 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
60784 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
60785 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
60786 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
60787 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
60788 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
60789 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
60790 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
60791 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
60792 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
60793 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
60794 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
60795 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
60796 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
60797 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
60798 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
60799 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
60800 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
60801 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
60802 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
60803 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
60804 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
60805 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
60806 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
60807 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
60808 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
60809 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
60810 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
60811 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
60812 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
60813 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
60814 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
60815 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
60816 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
60817 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
60818 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
60819 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
60820 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
60821 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
60822 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
60823 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
60824 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
60825 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
60826 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
60827 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
60828 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
60829 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
60830 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
60831 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
60832 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
60833 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
60834 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
60835 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
60836 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
60837 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
60838 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
60839 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
60840 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
60841 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
60842 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
60843 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
60844 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
60845 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
60846 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
60847 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
60848 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
60849 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
60850 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
60851 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
60852 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
60853 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
60854 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
60855 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
60856 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
60857 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
60858 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
60859 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
60860 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
60861 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
60862 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
60863 s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
60864 s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
60865 s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
60866 s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
60867 s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
60868 s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
60869 s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
60870 s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
60871 s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
60872 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
60873 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
60874 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
60875 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
60876 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
60877 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
60878 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
60879 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
60880 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
60881 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
60882 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60883 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
60884 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
60885 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
60886 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
60887 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
60888 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
60889 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
60890 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
60891 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
60892 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
60893 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
60894 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
60895 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
60896 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60897 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
60898 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
60899 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
60900 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
60901 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60902 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60903 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
60904 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
60905 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
60906 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
60907 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
60908 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
60909 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
60910 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
60911 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
60912 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
60913 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
60914 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60915 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
60916 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
60917 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
60918 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
60919 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60920 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60921 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
60922 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
60923 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
60924 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
60925 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60926 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60927 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60928 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
60929 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
60930 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
60931 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
60932 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
60933 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
60934 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
60935 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
60936 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60937 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
60938 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
60939 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
60940 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
60941 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60942 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60943 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
60944 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
60945 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
60946 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
60947 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60948 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60949 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60950 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
60951 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
60952 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
60953 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
60954 s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60955 s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60956 s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60957 s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60958 s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
60959 s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
60960 s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
60961 s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
60962 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60963 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
60964 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
60965 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
60966 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
60967 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60968 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60969 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
60970 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
60971 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
60972 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
60973 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60974 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60975 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60976 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
60977 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
60978 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
60979 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
60980 s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60981 s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60982 s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60983 s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60984 s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
60985 s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
60986 s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
60987 s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
60988 s_r(4, 4, 4) = s_r(4, 4, 4) + e_0_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60989 s_r(4, 4, 4) = s_r(4, 4, 4) + e_1_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60990 s_r(4, 4, 4) = s_r(4, 4, 4) + e_2_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60991 s_r(4, 4, 4) = s_r(4, 4, 4) + e_3_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60992 s_r(4, 4, 4) = s_r(4, 4, 4) + e_4_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60993 s_r(4, 4, 4) = s_r(4, 4, 4) + e_5_4_4*(1)*s_r_t2_9 ! cost: 5 flops
60994 s_r(4, 4, 4) = s_r(4, 4, 4) + e_6_4_4*(1)*s_r_t2_10 ! cost: 5 flops
60995 s_r(4, 4, 4) = s_r(4, 4, 4) + e_7_4_4*(1)*s_r_t2_11 ! cost: 5 flops
60996 s_r(4, 4, 4) = s_r(4, 4, 4) + e_8_4_4*(1)*s_r_t2_12 ! cost: 5 flops
60997 r1 = r1 + dr
60998 END DO
60999
61000 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61001 END SUBROUTINE
61002 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_0_exp_1 ( &
61003 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61004 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61005 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61006 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61007 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61008 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61009 r_pow_t, r_tmp, rr1_delta, rr2_delta
61010
61011 REAL(kind=dp) :: s_r_t_0
61012 REAL(kind=dp) :: s_r_t2_0
61013 REAL(kind=dp) :: h_to_c_0_0
61014 REAL(kind=dp) :: e_0_0_0
61015
61016 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61017
61018 dr = lgth
61019 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61020
61021 s_r(:, :, :) = 0.0_dp
61022
61023 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61024
61025 h_to_c_0_0 = sqrt(alpha/pi)
61026
61027
61028 exp_drsq = exp(-alpha*dr*dr)
61029 exp_2drsq = exp_drsq*exp_drsq
61030
61031 rr1_delta = (ra - rb)/dr
61032
61033 rr1_l = ceiling(-r_c(1) + rr1_delta)
61034 rr1_r = floor(r_c(1) + rr1_delta)
61035
61036 r1 = rr1_l*dr
61037
61038 alpha_e = zeta*zetb/(zeta + zetb)
61039
61040 DO rr1 = rr1_l, rr1_r
61041 s_r_t_0 = 0.0_dp
61042 s_r_t2_0 = 0.0_dp
61043 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61044 rr2_delta = -r_tmp/dr
61045
61046 rr2_l = ceiling(-r_c(2) + rr2_delta)
61047 rr2_r = floor(r_c(2) + rr2_delta)
61048
61049 r = r_tmp + (rr2_l)*dr
61050
61051 exp2_2rdr = exp(-2*alpha*r*dr)
61052 exp2_rsq = exp(-alpha*r*r)
61053
61054 DO rr2 = rr2_l, rr2_r
61055 r_pow_t = 1.0_dp
61056 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61057
61058 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61059 exp2_2rdr = exp2_2rdr*exp_2drsq
61060 r = r + dr
61061 END DO
61062
61063 ! C --> H
61064 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61065
61066 ! H --> HH
61067 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61068
61069
61070
61071 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61072 r1 = r1 + dr
61073 END DO
61074
61075 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61076 END SUBROUTINE
61077 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_1_exp_1 ( &
61078 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61079 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61080 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61081 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61082 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61083 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61084 r_pow_t, r_tmp, rr1_delta, rr2_delta
61085
61086 REAL(kind=dp) :: c1, c2, c3
61087 REAL(kind=dp) :: s_r_t_0, s_r_t_1
61088 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
61089 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
61090 REAL(kind=dp) :: e_0_0_0
61091
61092 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61093
61094 dr = lgth
61095 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61096
61097 s_r(:, :, :) = 0.0_dp
61098
61099 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61100
61101 h_to_c_0_0 = sqrt(alpha/pi)
61102
61103 h_to_c_0_1 = 0.0_dp
61104 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61105
61106 exp_drsq = exp(-alpha*dr*dr)
61107 exp_2drsq = exp_drsq*exp_drsq
61108
61109 rr1_delta = (ra - rb)/dr
61110
61111 rr1_l = ceiling(-r_c(1) + rr1_delta)
61112 rr1_r = floor(r_c(1) + rr1_delta)
61113
61114 r1 = rr1_l*dr
61115
61116 alpha_e = zeta*zetb/(zeta + zetb)
61117
61118 DO rr1 = rr1_l, rr1_r
61119 s_r_t_0 = 0.0_dp
61120 s_r_t2_0 = 0.0_dp
61121 s_r_t_1 = 0.0_dp
61122 s_r_t2_1 = 0.0_dp
61123 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61124 rr2_delta = -r_tmp/dr
61125
61126 rr2_l = ceiling(-r_c(2) + rr2_delta)
61127 rr2_r = floor(r_c(2) + rr2_delta)
61128
61129 r = r_tmp + (rr2_l)*dr
61130
61131 exp2_2rdr = exp(-2*alpha*r*dr)
61132 exp2_rsq = exp(-alpha*r*r)
61133
61134 DO rr2 = rr2_l, rr2_r
61135 r_pow_t = 1.0_dp
61136 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61137 r_pow_t = r_pow_t*r
61138 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61139
61140 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61141 exp2_2rdr = exp2_2rdr*exp_2drsq
61142 r = r + dr
61143 END DO
61144
61145 ! C --> H
61146 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61147 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61148 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61149
61150 ! H --> HH
61151 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61152
61153 c1 = 1.0_dp/(zeta + zetb)
61154 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61155 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61156
61157
61158 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61159 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61160 r1 = r1 + dr
61161 END DO
61162
61163 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61164 END SUBROUTINE
61165 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_2_exp_1 ( &
61166 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61167 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61168 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61169 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61170 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61171 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61172 r_pow_t, r_tmp, rr1_delta, rr2_delta
61173
61174 REAL(kind=dp) :: c1, c2, c3
61175 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
61176 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
61177 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
61178 REAL(kind=dp) :: e_0_0_0
61179
61180 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61181
61182 dr = lgth
61183 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61184
61185 s_r(:, :, :) = 0.0_dp
61186
61187 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61188
61189 h_to_c_0_0 = sqrt(alpha/pi)
61190
61191 h_to_c_0_1 = 0.0_dp
61192 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61193 h_to_c_0_2 = -1*h_to_c_1_1
61194 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61195 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61196
61197 exp_drsq = exp(-alpha*dr*dr)
61198 exp_2drsq = exp_drsq*exp_drsq
61199
61200 rr1_delta = (ra - rb)/dr
61201
61202 rr1_l = ceiling(-r_c(1) + rr1_delta)
61203 rr1_r = floor(r_c(1) + rr1_delta)
61204
61205 r1 = rr1_l*dr
61206
61207 alpha_e = zeta*zetb/(zeta + zetb)
61208
61209 DO rr1 = rr1_l, rr1_r
61210 s_r_t_0 = 0.0_dp
61211 s_r_t2_0 = 0.0_dp
61212 s_r_t_1 = 0.0_dp
61213 s_r_t2_1 = 0.0_dp
61214 s_r_t_2 = 0.0_dp
61215 s_r_t2_2 = 0.0_dp
61216 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61217 rr2_delta = -r_tmp/dr
61218
61219 rr2_l = ceiling(-r_c(2) + rr2_delta)
61220 rr2_r = floor(r_c(2) + rr2_delta)
61221
61222 r = r_tmp + (rr2_l)*dr
61223
61224 exp2_2rdr = exp(-2*alpha*r*dr)
61225 exp2_rsq = exp(-alpha*r*r)
61226
61227 DO rr2 = rr2_l, rr2_r
61228 r_pow_t = 1.0_dp
61229 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61230 r_pow_t = r_pow_t*r
61231 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61232 r_pow_t = r_pow_t*r
61233 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61234
61235 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61236 exp2_2rdr = exp2_2rdr*exp_2drsq
61237 r = r + dr
61238 END DO
61239
61240 ! C --> H
61241 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61242 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61243 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61244 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61245 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61246 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61247
61248 ! H --> HH
61249 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61250
61251 c1 = 1.0_dp/(zeta + zetb)
61252 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61253 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61254
61255
61256 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61257 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61258 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61259 r1 = r1 + dr
61260 END DO
61261
61262 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61263 END SUBROUTINE
61264 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_3_exp_1 ( &
61265 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61266 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61267 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61268 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61269 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61270 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61271 r_pow_t, r_tmp, rr1_delta, rr2_delta
61272
61273 REAL(kind=dp) :: c1, c2, c3
61274 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
61275 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
61276 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61277 & h_to_c_3_3
61278 REAL(kind=dp) :: e_0_0_0
61279
61280 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61281
61282 dr = lgth
61283 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61284
61285 s_r(:, :, :) = 0.0_dp
61286
61287 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61288
61289 h_to_c_0_0 = sqrt(alpha/pi)
61290
61291 h_to_c_0_1 = 0.0_dp
61292 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61293 h_to_c_0_2 = -1*h_to_c_1_1
61294 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61295 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61296 h_to_c_0_3 = -1*h_to_c_1_2
61297 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61298 h_to_c_2_3 = +2*alpha*h_to_c_1_2
61299 h_to_c_3_3 = +2*alpha*h_to_c_2_2
61300
61301 exp_drsq = exp(-alpha*dr*dr)
61302 exp_2drsq = exp_drsq*exp_drsq
61303
61304 rr1_delta = (ra - rb)/dr
61305
61306 rr1_l = ceiling(-r_c(1) + rr1_delta)
61307 rr1_r = floor(r_c(1) + rr1_delta)
61308
61309 r1 = rr1_l*dr
61310
61311 alpha_e = zeta*zetb/(zeta + zetb)
61312
61313 DO rr1 = rr1_l, rr1_r
61314 s_r_t_0 = 0.0_dp
61315 s_r_t2_0 = 0.0_dp
61316 s_r_t_1 = 0.0_dp
61317 s_r_t2_1 = 0.0_dp
61318 s_r_t_2 = 0.0_dp
61319 s_r_t2_2 = 0.0_dp
61320 s_r_t_3 = 0.0_dp
61321 s_r_t2_3 = 0.0_dp
61322 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61323 rr2_delta = -r_tmp/dr
61324
61325 rr2_l = ceiling(-r_c(2) + rr2_delta)
61326 rr2_r = floor(r_c(2) + rr2_delta)
61327
61328 r = r_tmp + (rr2_l)*dr
61329
61330 exp2_2rdr = exp(-2*alpha*r*dr)
61331 exp2_rsq = exp(-alpha*r*r)
61332
61333 DO rr2 = rr2_l, rr2_r
61334 r_pow_t = 1.0_dp
61335 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61336 r_pow_t = r_pow_t*r
61337 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61338 r_pow_t = r_pow_t*r
61339 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61340 r_pow_t = r_pow_t*r
61341 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61342
61343 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61344 exp2_2rdr = exp2_2rdr*exp_2drsq
61345 r = r + dr
61346 END DO
61347
61348 ! C --> H
61349 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61350 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61351 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61352 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61353 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61354 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61355 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61356 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61357 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61358 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61359
61360 ! H --> HH
61361 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61362
61363 c1 = 1.0_dp/(zeta + zetb)
61364 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61365 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61366
61367
61368 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61369 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61370 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61371 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61372 r1 = r1 + dr
61373 END DO
61374
61375 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61376 END SUBROUTINE
61377 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_4_exp_1 ( &
61378 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61379 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61380 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61381 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61382 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61383 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61384 r_pow_t, r_tmp, rr1_delta, rr2_delta
61385
61386 REAL(kind=dp) :: c1, c2, c3
61387 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
61388 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
61389 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61390 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
61391 REAL(kind=dp) :: e_0_0_0
61392
61393 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61394
61395 dr = lgth
61396 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61397
61398 s_r(:, :, :) = 0.0_dp
61399
61400 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61401
61402 h_to_c_0_0 = sqrt(alpha/pi)
61403
61404 h_to_c_0_1 = 0.0_dp
61405 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61406 h_to_c_0_2 = -1*h_to_c_1_1
61407 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61408 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61409 h_to_c_0_3 = -1*h_to_c_1_2
61410 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61411 h_to_c_2_3 = +2*alpha*h_to_c_1_2
61412 h_to_c_3_3 = +2*alpha*h_to_c_2_2
61413 h_to_c_0_4 = -1*h_to_c_1_3
61414 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
61415 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
61416 h_to_c_3_4 = +2*alpha*h_to_c_2_3
61417 h_to_c_4_4 = +2*alpha*h_to_c_3_3
61418
61419 exp_drsq = exp(-alpha*dr*dr)
61420 exp_2drsq = exp_drsq*exp_drsq
61421
61422 rr1_delta = (ra - rb)/dr
61423
61424 rr1_l = ceiling(-r_c(1) + rr1_delta)
61425 rr1_r = floor(r_c(1) + rr1_delta)
61426
61427 r1 = rr1_l*dr
61428
61429 alpha_e = zeta*zetb/(zeta + zetb)
61430
61431 DO rr1 = rr1_l, rr1_r
61432 s_r_t_0 = 0.0_dp
61433 s_r_t2_0 = 0.0_dp
61434 s_r_t_1 = 0.0_dp
61435 s_r_t2_1 = 0.0_dp
61436 s_r_t_2 = 0.0_dp
61437 s_r_t2_2 = 0.0_dp
61438 s_r_t_3 = 0.0_dp
61439 s_r_t2_3 = 0.0_dp
61440 s_r_t_4 = 0.0_dp
61441 s_r_t2_4 = 0.0_dp
61442 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61443 rr2_delta = -r_tmp/dr
61444
61445 rr2_l = ceiling(-r_c(2) + rr2_delta)
61446 rr2_r = floor(r_c(2) + rr2_delta)
61447
61448 r = r_tmp + (rr2_l)*dr
61449
61450 exp2_2rdr = exp(-2*alpha*r*dr)
61451 exp2_rsq = exp(-alpha*r*r)
61452
61453 DO rr2 = rr2_l, rr2_r
61454 r_pow_t = 1.0_dp
61455 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61456 r_pow_t = r_pow_t*r
61457 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61458 r_pow_t = r_pow_t*r
61459 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61460 r_pow_t = r_pow_t*r
61461 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61462 r_pow_t = r_pow_t*r
61463 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
61464
61465 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61466 exp2_2rdr = exp2_2rdr*exp_2drsq
61467 r = r + dr
61468 END DO
61469
61470 ! C --> H
61471 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61472 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61473 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61474 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61475 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61476 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61477 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61478 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61479 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61480 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61481 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
61482 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
61483 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
61484 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
61485 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
61486
61487 ! H --> HH
61488 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61489
61490 c1 = 1.0_dp/(zeta + zetb)
61491 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61492 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61493
61494
61495 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61496 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61497 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61498 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61499 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
61500 r1 = r1 + dr
61501 END DO
61502
61503 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61504 END SUBROUTINE
61505 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_0_exp_1 ( &
61506 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61507 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61508 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61509 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61510 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61511 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61512 r_pow_t, r_tmp, rr1_delta, rr2_delta
61513
61514 REAL(kind=dp) :: c1, c2, c3
61515 REAL(kind=dp) :: s_r_t_0, s_r_t_1
61516 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
61517 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
61518 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61519
61520 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61521
61522 dr = lgth
61523 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61524
61525 s_r(:, :, :) = 0.0_dp
61526
61527 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61528
61529 h_to_c_0_0 = sqrt(alpha/pi)
61530
61531 h_to_c_0_1 = 0.0_dp
61532 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61533
61534 exp_drsq = exp(-alpha*dr*dr)
61535 exp_2drsq = exp_drsq*exp_drsq
61536
61537 rr1_delta = (ra - rb)/dr
61538
61539 rr1_l = ceiling(-r_c(1) + rr1_delta)
61540 rr1_r = floor(r_c(1) + rr1_delta)
61541
61542 r1 = rr1_l*dr
61543
61544 alpha_e = zeta*zetb/(zeta + zetb)
61545
61546 DO rr1 = rr1_l, rr1_r
61547 s_r_t_0 = 0.0_dp
61548 s_r_t2_0 = 0.0_dp
61549 s_r_t_1 = 0.0_dp
61550 s_r_t2_1 = 0.0_dp
61551 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61552 rr2_delta = -r_tmp/dr
61553
61554 rr2_l = ceiling(-r_c(2) + rr2_delta)
61555 rr2_r = floor(r_c(2) + rr2_delta)
61556
61557 r = r_tmp + (rr2_l)*dr
61558
61559 exp2_2rdr = exp(-2*alpha*r*dr)
61560 exp2_rsq = exp(-alpha*r*r)
61561
61562 DO rr2 = rr2_l, rr2_r
61563 r_pow_t = 1.0_dp
61564 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61565 r_pow_t = r_pow_t*r
61566 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61567
61568 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61569 exp2_2rdr = exp2_2rdr*exp_2drsq
61570 r = r + dr
61571 END DO
61572
61573 ! C --> H
61574 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61575 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61576 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61577
61578 ! H --> HH
61579 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61580
61581 c1 = 1.0_dp/(zeta + zetb)
61582 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61583 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61584
61585 e_0_0_1 = zetb*( &
61586 +c3*e_0_0_0&
61587
61588 )
61589 e_1_0_1 = zetb*( c1*e_0_0_0 &
61590
61591
61592 )
61593
61594 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61595 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61596 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61597 r1 = r1 + dr
61598 END DO
61599
61600 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61601 END SUBROUTINE
61602 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_1_exp_1 ( &
61603 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61604 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61605 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61606 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61607 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61608 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61609 r_pow_t, r_tmp, rr1_delta, rr2_delta
61610
61611 REAL(kind=dp) :: c1, c2, c3
61612 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
61613 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
61614 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
61615 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61616
61617 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61618
61619 dr = lgth
61620 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61621
61622 s_r(:, :, :) = 0.0_dp
61623
61624 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61625
61626 h_to_c_0_0 = sqrt(alpha/pi)
61627
61628 h_to_c_0_1 = 0.0_dp
61629 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61630 h_to_c_0_2 = -1*h_to_c_1_1
61631 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61632 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61633
61634 exp_drsq = exp(-alpha*dr*dr)
61635 exp_2drsq = exp_drsq*exp_drsq
61636
61637 rr1_delta = (ra - rb)/dr
61638
61639 rr1_l = ceiling(-r_c(1) + rr1_delta)
61640 rr1_r = floor(r_c(1) + rr1_delta)
61641
61642 r1 = rr1_l*dr
61643
61644 alpha_e = zeta*zetb/(zeta + zetb)
61645
61646 DO rr1 = rr1_l, rr1_r
61647 s_r_t_0 = 0.0_dp
61648 s_r_t2_0 = 0.0_dp
61649 s_r_t_1 = 0.0_dp
61650 s_r_t2_1 = 0.0_dp
61651 s_r_t_2 = 0.0_dp
61652 s_r_t2_2 = 0.0_dp
61653 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61654 rr2_delta = -r_tmp/dr
61655
61656 rr2_l = ceiling(-r_c(2) + rr2_delta)
61657 rr2_r = floor(r_c(2) + rr2_delta)
61658
61659 r = r_tmp + (rr2_l)*dr
61660
61661 exp2_2rdr = exp(-2*alpha*r*dr)
61662 exp2_rsq = exp(-alpha*r*r)
61663
61664 DO rr2 = rr2_l, rr2_r
61665 r_pow_t = 1.0_dp
61666 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61667 r_pow_t = r_pow_t*r
61668 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61669 r_pow_t = r_pow_t*r
61670 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61671
61672 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61673 exp2_2rdr = exp2_2rdr*exp_2drsq
61674 r = r + dr
61675 END DO
61676
61677 ! C --> H
61678 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61679 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61680 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61681 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61682 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61683 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61684
61685 ! H --> HH
61686 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61687
61688 c1 = 1.0_dp/(zeta + zetb)
61689 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61690 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61691
61692 e_0_0_1 = zetb*( &
61693 +c3*e_0_0_0&
61694
61695 )
61696 e_1_0_1 = zetb*( c1*e_0_0_0 &
61697
61698
61699 )
61700
61701 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61702 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61703 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61704 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61705 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61706 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61707 r1 = r1 + dr
61708 END DO
61709
61710 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61711 END SUBROUTINE
61712 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_2_exp_1 ( &
61713 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61714 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61715 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61716 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61717 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61718 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61719 r_pow_t, r_tmp, rr1_delta, rr2_delta
61720
61721 REAL(kind=dp) :: c1, c2, c3
61722 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
61723 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
61724 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61725 & h_to_c_3_3
61726 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61727
61728 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61729
61730 dr = lgth
61731 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61732
61733 s_r(:, :, :) = 0.0_dp
61734
61735 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61736
61737 h_to_c_0_0 = sqrt(alpha/pi)
61738
61739 h_to_c_0_1 = 0.0_dp
61740 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61741 h_to_c_0_2 = -1*h_to_c_1_1
61742 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61743 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61744 h_to_c_0_3 = -1*h_to_c_1_2
61745 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61746 h_to_c_2_3 = +2*alpha*h_to_c_1_2
61747 h_to_c_3_3 = +2*alpha*h_to_c_2_2
61748
61749 exp_drsq = exp(-alpha*dr*dr)
61750 exp_2drsq = exp_drsq*exp_drsq
61751
61752 rr1_delta = (ra - rb)/dr
61753
61754 rr1_l = ceiling(-r_c(1) + rr1_delta)
61755 rr1_r = floor(r_c(1) + rr1_delta)
61756
61757 r1 = rr1_l*dr
61758
61759 alpha_e = zeta*zetb/(zeta + zetb)
61760
61761 DO rr1 = rr1_l, rr1_r
61762 s_r_t_0 = 0.0_dp
61763 s_r_t2_0 = 0.0_dp
61764 s_r_t_1 = 0.0_dp
61765 s_r_t2_1 = 0.0_dp
61766 s_r_t_2 = 0.0_dp
61767 s_r_t2_2 = 0.0_dp
61768 s_r_t_3 = 0.0_dp
61769 s_r_t2_3 = 0.0_dp
61770 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61771 rr2_delta = -r_tmp/dr
61772
61773 rr2_l = ceiling(-r_c(2) + rr2_delta)
61774 rr2_r = floor(r_c(2) + rr2_delta)
61775
61776 r = r_tmp + (rr2_l)*dr
61777
61778 exp2_2rdr = exp(-2*alpha*r*dr)
61779 exp2_rsq = exp(-alpha*r*r)
61780
61781 DO rr2 = rr2_l, rr2_r
61782 r_pow_t = 1.0_dp
61783 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61784 r_pow_t = r_pow_t*r
61785 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61786 r_pow_t = r_pow_t*r
61787 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61788 r_pow_t = r_pow_t*r
61789 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61790
61791 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61792 exp2_2rdr = exp2_2rdr*exp_2drsq
61793 r = r + dr
61794 END DO
61795
61796 ! C --> H
61797 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61798 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61799 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61800 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61801 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61802 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61803 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61804 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61805 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61806 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61807
61808 ! H --> HH
61809 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61810
61811 c1 = 1.0_dp/(zeta + zetb)
61812 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61813 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61814
61815 e_0_0_1 = zetb*( &
61816 +c3*e_0_0_0&
61817
61818 )
61819 e_1_0_1 = zetb*( c1*e_0_0_0 &
61820
61821
61822 )
61823
61824 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61825 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61826 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61827 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61828 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61829 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61830 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61831 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
61832 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
61833 r1 = r1 + dr
61834 END DO
61835
61836 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61837 END SUBROUTINE
61838 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_3_exp_1 ( &
61839 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61840 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61841 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61842 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61843 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61844 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61845 r_pow_t, r_tmp, rr1_delta, rr2_delta
61846
61847 REAL(kind=dp) :: c1, c2, c3
61848 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
61849 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
61850 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61851 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
61852 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61853
61854 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61855
61856 dr = lgth
61857 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61858
61859 s_r(:, :, :) = 0.0_dp
61860
61861 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61862
61863 h_to_c_0_0 = sqrt(alpha/pi)
61864
61865 h_to_c_0_1 = 0.0_dp
61866 h_to_c_1_1 = +2*alpha*h_to_c_0_0
61867 h_to_c_0_2 = -1*h_to_c_1_1
61868 h_to_c_1_2 = +2*alpha*h_to_c_0_1
61869 h_to_c_2_2 = +2*alpha*h_to_c_1_1
61870 h_to_c_0_3 = -1*h_to_c_1_2
61871 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61872 h_to_c_2_3 = +2*alpha*h_to_c_1_2
61873 h_to_c_3_3 = +2*alpha*h_to_c_2_2
61874 h_to_c_0_4 = -1*h_to_c_1_3
61875 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
61876 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
61877 h_to_c_3_4 = +2*alpha*h_to_c_2_3
61878 h_to_c_4_4 = +2*alpha*h_to_c_3_3
61879
61880 exp_drsq = exp(-alpha*dr*dr)
61881 exp_2drsq = exp_drsq*exp_drsq
61882
61883 rr1_delta = (ra - rb)/dr
61884
61885 rr1_l = ceiling(-r_c(1) + rr1_delta)
61886 rr1_r = floor(r_c(1) + rr1_delta)
61887
61888 r1 = rr1_l*dr
61889
61890 alpha_e = zeta*zetb/(zeta + zetb)
61891
61892 DO rr1 = rr1_l, rr1_r
61893 s_r_t_0 = 0.0_dp
61894 s_r_t2_0 = 0.0_dp
61895 s_r_t_1 = 0.0_dp
61896 s_r_t2_1 = 0.0_dp
61897 s_r_t_2 = 0.0_dp
61898 s_r_t2_2 = 0.0_dp
61899 s_r_t_3 = 0.0_dp
61900 s_r_t2_3 = 0.0_dp
61901 s_r_t_4 = 0.0_dp
61902 s_r_t2_4 = 0.0_dp
61903 r_tmp = r_offset + r1*zeta/(zeta + zetb)
61904 rr2_delta = -r_tmp/dr
61905
61906 rr2_l = ceiling(-r_c(2) + rr2_delta)
61907 rr2_r = floor(r_c(2) + rr2_delta)
61908
61909 r = r_tmp + (rr2_l)*dr
61910
61911 exp2_2rdr = exp(-2*alpha*r*dr)
61912 exp2_rsq = exp(-alpha*r*r)
61913
61914 DO rr2 = rr2_l, rr2_r
61915 r_pow_t = 1.0_dp
61916 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61917 r_pow_t = r_pow_t*r
61918 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61919 r_pow_t = r_pow_t*r
61920 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61921 r_pow_t = r_pow_t*r
61922 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61923 r_pow_t = r_pow_t*r
61924 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
61925
61926 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61927 exp2_2rdr = exp2_2rdr*exp_2drsq
61928 r = r + dr
61929 END DO
61930
61931 ! C --> H
61932 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61933 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61934 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61935 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61936 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61937 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61938 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61939 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61940 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61941 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61942 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
61943 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
61944 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
61945 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
61946 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
61947
61948 ! H --> HH
61949 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61950
61951 c1 = 1.0_dp/(zeta + zetb)
61952 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61953 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61954
61955 e_0_0_1 = zetb*( &
61956 +c3*e_0_0_0&
61957
61958 )
61959 e_1_0_1 = zetb*( c1*e_0_0_0 &
61960
61961
61962 )
61963
61964 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61965 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61966 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61967 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61968 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61969 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61970 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61971 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
61972 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
61973 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61974 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
61975 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
61976 r1 = r1 + dr
61977 END DO
61978
61979 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61980 END SUBROUTINE
61981 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_4_exp_1 ( &
61982 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61983 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61984 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61985 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61986 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61987 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61988 r_pow_t, r_tmp, rr1_delta, rr2_delta
61989
61990 REAL(kind=dp) :: c1, c2, c3
61991 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
61992 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
61993 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61994 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
61995 & h_to_c_4_5, h_to_c_5_5
61996 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61997
61998 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61999
62000 dr = lgth
62001 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62002
62003 s_r(:, :, :) = 0.0_dp
62004
62005 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62006
62007 h_to_c_0_0 = sqrt(alpha/pi)
62008
62009 h_to_c_0_1 = 0.0_dp
62010 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62011 h_to_c_0_2 = -1*h_to_c_1_1
62012 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62013 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62014 h_to_c_0_3 = -1*h_to_c_1_2
62015 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62016 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62017 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62018 h_to_c_0_4 = -1*h_to_c_1_3
62019 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62020 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62021 h_to_c_3_4 = +2*alpha*h_to_c_2_3
62022 h_to_c_4_4 = +2*alpha*h_to_c_3_3
62023 h_to_c_0_5 = -1*h_to_c_1_4
62024 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62025 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62026 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62027 h_to_c_4_5 = +2*alpha*h_to_c_3_4
62028 h_to_c_5_5 = +2*alpha*h_to_c_4_4
62029
62030 exp_drsq = exp(-alpha*dr*dr)
62031 exp_2drsq = exp_drsq*exp_drsq
62032
62033 rr1_delta = (ra - rb)/dr
62034
62035 rr1_l = ceiling(-r_c(1) + rr1_delta)
62036 rr1_r = floor(r_c(1) + rr1_delta)
62037
62038 r1 = rr1_l*dr
62039
62040 alpha_e = zeta*zetb/(zeta + zetb)
62041
62042 DO rr1 = rr1_l, rr1_r
62043 s_r_t_0 = 0.0_dp
62044 s_r_t2_0 = 0.0_dp
62045 s_r_t_1 = 0.0_dp
62046 s_r_t2_1 = 0.0_dp
62047 s_r_t_2 = 0.0_dp
62048 s_r_t2_2 = 0.0_dp
62049 s_r_t_3 = 0.0_dp
62050 s_r_t2_3 = 0.0_dp
62051 s_r_t_4 = 0.0_dp
62052 s_r_t2_4 = 0.0_dp
62053 s_r_t_5 = 0.0_dp
62054 s_r_t2_5 = 0.0_dp
62055 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62056 rr2_delta = -r_tmp/dr
62057
62058 rr2_l = ceiling(-r_c(2) + rr2_delta)
62059 rr2_r = floor(r_c(2) + rr2_delta)
62060
62061 r = r_tmp + (rr2_l)*dr
62062
62063 exp2_2rdr = exp(-2*alpha*r*dr)
62064 exp2_rsq = exp(-alpha*r*r)
62065
62066 DO rr2 = rr2_l, rr2_r
62067 r_pow_t = 1.0_dp
62068 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62069 r_pow_t = r_pow_t*r
62070 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62071 r_pow_t = r_pow_t*r
62072 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62073 r_pow_t = r_pow_t*r
62074 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62075 r_pow_t = r_pow_t*r
62076 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62077 r_pow_t = r_pow_t*r
62078 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62079
62080 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62081 exp2_2rdr = exp2_2rdr*exp_2drsq
62082 r = r + dr
62083 END DO
62084
62085 ! C --> H
62086 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62087 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62088 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62089 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62090 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62091 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62092 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62093 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62094 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62095 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62096 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62097 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62098 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62099 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62100 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62101 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62102 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62103 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62104 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62105 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62106 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62107
62108 ! H --> HH
62109 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62110
62111 c1 = 1.0_dp/(zeta + zetb)
62112 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62113 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62114
62115 e_0_0_1 = zetb*( &
62116 +c3*e_0_0_0&
62117
62118 )
62119 e_1_0_1 = zetb*( c1*e_0_0_0 &
62120
62121
62122 )
62123
62124 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62125 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62126 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62127 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62128 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62129 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62130 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62131 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62132 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62133 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62134 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62135 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62136 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
62137 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
62138 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
62139 r1 = r1 + dr
62140 END DO
62141
62142 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62143 END SUBROUTINE
62144 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_0_exp_1 ( &
62145 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62146 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62147 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62148 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62149 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62150 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62151 r_pow_t, r_tmp, rr1_delta, rr2_delta
62152
62153 REAL(kind=dp) :: c1, c2, c3
62154 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
62155 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
62156 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
62157 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62158
62159 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62160
62161 dr = lgth
62162 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62163
62164 s_r(:, :, :) = 0.0_dp
62165
62166 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62167
62168 h_to_c_0_0 = sqrt(alpha/pi)
62169
62170 h_to_c_0_1 = 0.0_dp
62171 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62172 h_to_c_0_2 = -1*h_to_c_1_1
62173 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62174 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62175
62176 exp_drsq = exp(-alpha*dr*dr)
62177 exp_2drsq = exp_drsq*exp_drsq
62178
62179 rr1_delta = (ra - rb)/dr
62180
62181 rr1_l = ceiling(-r_c(1) + rr1_delta)
62182 rr1_r = floor(r_c(1) + rr1_delta)
62183
62184 r1 = rr1_l*dr
62185
62186 alpha_e = zeta*zetb/(zeta + zetb)
62187
62188 DO rr1 = rr1_l, rr1_r
62189 s_r_t_0 = 0.0_dp
62190 s_r_t2_0 = 0.0_dp
62191 s_r_t_1 = 0.0_dp
62192 s_r_t2_1 = 0.0_dp
62193 s_r_t_2 = 0.0_dp
62194 s_r_t2_2 = 0.0_dp
62195 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62196 rr2_delta = -r_tmp/dr
62197
62198 rr2_l = ceiling(-r_c(2) + rr2_delta)
62199 rr2_r = floor(r_c(2) + rr2_delta)
62200
62201 r = r_tmp + (rr2_l)*dr
62202
62203 exp2_2rdr = exp(-2*alpha*r*dr)
62204 exp2_rsq = exp(-alpha*r*r)
62205
62206 DO rr2 = rr2_l, rr2_r
62207 r_pow_t = 1.0_dp
62208 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62209 r_pow_t = r_pow_t*r
62210 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62211 r_pow_t = r_pow_t*r
62212 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62213
62214 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62215 exp2_2rdr = exp2_2rdr*exp_2drsq
62216 r = r + dr
62217 END DO
62218
62219 ! C --> H
62220 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62221 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62222 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62223 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62224 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62225 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62226
62227 ! H --> HH
62228 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62229
62230 c1 = 1.0_dp/(zeta + zetb)
62231 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62232 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62233
62234 e_0_0_1 = zetb*( &
62235 +c3*e_0_0_0&
62236
62237 )
62238 e_1_0_1 = zetb*( c1*e_0_0_0 &
62239
62240
62241 )
62242 e_0_0_2 = zetb*( &
62243 +c3*e_0_0_1&
62244 +2*e_1_0_1 &
62245 -2*e_0_0_0)
62246 e_1_0_2 = zetb*( c1*e_0_0_1 &
62247 +c3*e_1_0_1&
62248
62249 )
62250 e_2_0_2 = zetb*( c1*e_1_0_1 &
62251
62252
62253 )
62254
62255 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62256 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62257 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62258 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62259 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62260 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62261 r1 = r1 + dr
62262 END DO
62263
62264 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62265 END SUBROUTINE
62266 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_1_exp_1 ( &
62267 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62268 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62269 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62270 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62271 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62272 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62273 r_pow_t, r_tmp, rr1_delta, rr2_delta
62274
62275 REAL(kind=dp) :: c1, c2, c3
62276 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
62277 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
62278 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62279 & h_to_c_3_3
62280 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62281
62282 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62283
62284 dr = lgth
62285 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62286
62287 s_r(:, :, :) = 0.0_dp
62288
62289 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62290
62291 h_to_c_0_0 = sqrt(alpha/pi)
62292
62293 h_to_c_0_1 = 0.0_dp
62294 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62295 h_to_c_0_2 = -1*h_to_c_1_1
62296 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62297 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62298 h_to_c_0_3 = -1*h_to_c_1_2
62299 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62300 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62301 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62302
62303 exp_drsq = exp(-alpha*dr*dr)
62304 exp_2drsq = exp_drsq*exp_drsq
62305
62306 rr1_delta = (ra - rb)/dr
62307
62308 rr1_l = ceiling(-r_c(1) + rr1_delta)
62309 rr1_r = floor(r_c(1) + rr1_delta)
62310
62311 r1 = rr1_l*dr
62312
62313 alpha_e = zeta*zetb/(zeta + zetb)
62314
62315 DO rr1 = rr1_l, rr1_r
62316 s_r_t_0 = 0.0_dp
62317 s_r_t2_0 = 0.0_dp
62318 s_r_t_1 = 0.0_dp
62319 s_r_t2_1 = 0.0_dp
62320 s_r_t_2 = 0.0_dp
62321 s_r_t2_2 = 0.0_dp
62322 s_r_t_3 = 0.0_dp
62323 s_r_t2_3 = 0.0_dp
62324 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62325 rr2_delta = -r_tmp/dr
62326
62327 rr2_l = ceiling(-r_c(2) + rr2_delta)
62328 rr2_r = floor(r_c(2) + rr2_delta)
62329
62330 r = r_tmp + (rr2_l)*dr
62331
62332 exp2_2rdr = exp(-2*alpha*r*dr)
62333 exp2_rsq = exp(-alpha*r*r)
62334
62335 DO rr2 = rr2_l, rr2_r
62336 r_pow_t = 1.0_dp
62337 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62338 r_pow_t = r_pow_t*r
62339 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62340 r_pow_t = r_pow_t*r
62341 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62342 r_pow_t = r_pow_t*r
62343 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62344
62345 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62346 exp2_2rdr = exp2_2rdr*exp_2drsq
62347 r = r + dr
62348 END DO
62349
62350 ! C --> H
62351 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62352 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62353 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62354 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62355 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62356 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62357 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62358 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62359 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62360 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62361
62362 ! H --> HH
62363 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62364
62365 c1 = 1.0_dp/(zeta + zetb)
62366 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62367 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62368
62369 e_0_0_1 = zetb*( &
62370 +c3*e_0_0_0&
62371
62372 )
62373 e_1_0_1 = zetb*( c1*e_0_0_0 &
62374
62375
62376 )
62377 e_0_0_2 = zetb*( &
62378 +c3*e_0_0_1&
62379 +2*e_1_0_1 &
62380 -2*e_0_0_0)
62381 e_1_0_2 = zetb*( c1*e_0_0_1 &
62382 +c3*e_1_0_1&
62383
62384 )
62385 e_2_0_2 = zetb*( c1*e_1_0_1 &
62386
62387
62388 )
62389
62390 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62391 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62392 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62393 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62394 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62395 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62396 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62397 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62398 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62399 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62400 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62401 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62402 r1 = r1 + dr
62403 END DO
62404
62405 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62406 END SUBROUTINE
62407 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_2_exp_1 ( &
62408 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62409 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62410 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62411 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62412 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62413 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62414 r_pow_t, r_tmp, rr1_delta, rr2_delta
62415
62416 REAL(kind=dp) :: c1, c2, c3
62417 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
62418 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
62419 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62420 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
62421 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62422
62423 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62424
62425 dr = lgth
62426 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62427
62428 s_r(:, :, :) = 0.0_dp
62429
62430 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62431
62432 h_to_c_0_0 = sqrt(alpha/pi)
62433
62434 h_to_c_0_1 = 0.0_dp
62435 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62436 h_to_c_0_2 = -1*h_to_c_1_1
62437 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62438 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62439 h_to_c_0_3 = -1*h_to_c_1_2
62440 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62441 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62442 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62443 h_to_c_0_4 = -1*h_to_c_1_3
62444 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62445 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62446 h_to_c_3_4 = +2*alpha*h_to_c_2_3
62447 h_to_c_4_4 = +2*alpha*h_to_c_3_3
62448
62449 exp_drsq = exp(-alpha*dr*dr)
62450 exp_2drsq = exp_drsq*exp_drsq
62451
62452 rr1_delta = (ra - rb)/dr
62453
62454 rr1_l = ceiling(-r_c(1) + rr1_delta)
62455 rr1_r = floor(r_c(1) + rr1_delta)
62456
62457 r1 = rr1_l*dr
62458
62459 alpha_e = zeta*zetb/(zeta + zetb)
62460
62461 DO rr1 = rr1_l, rr1_r
62462 s_r_t_0 = 0.0_dp
62463 s_r_t2_0 = 0.0_dp
62464 s_r_t_1 = 0.0_dp
62465 s_r_t2_1 = 0.0_dp
62466 s_r_t_2 = 0.0_dp
62467 s_r_t2_2 = 0.0_dp
62468 s_r_t_3 = 0.0_dp
62469 s_r_t2_3 = 0.0_dp
62470 s_r_t_4 = 0.0_dp
62471 s_r_t2_4 = 0.0_dp
62472 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62473 rr2_delta = -r_tmp/dr
62474
62475 rr2_l = ceiling(-r_c(2) + rr2_delta)
62476 rr2_r = floor(r_c(2) + rr2_delta)
62477
62478 r = r_tmp + (rr2_l)*dr
62479
62480 exp2_2rdr = exp(-2*alpha*r*dr)
62481 exp2_rsq = exp(-alpha*r*r)
62482
62483 DO rr2 = rr2_l, rr2_r
62484 r_pow_t = 1.0_dp
62485 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62486 r_pow_t = r_pow_t*r
62487 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62488 r_pow_t = r_pow_t*r
62489 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62490 r_pow_t = r_pow_t*r
62491 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62492 r_pow_t = r_pow_t*r
62493 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62494
62495 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62496 exp2_2rdr = exp2_2rdr*exp_2drsq
62497 r = r + dr
62498 END DO
62499
62500 ! C --> H
62501 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62502 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62503 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62504 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62505 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62506 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62507 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62508 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62509 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62510 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62511 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62512 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62513 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62514 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62515 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62516
62517 ! H --> HH
62518 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62519
62520 c1 = 1.0_dp/(zeta + zetb)
62521 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62522 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62523
62524 e_0_0_1 = zetb*( &
62525 +c3*e_0_0_0&
62526
62527 )
62528 e_1_0_1 = zetb*( c1*e_0_0_0 &
62529
62530
62531 )
62532 e_0_0_2 = zetb*( &
62533 +c3*e_0_0_1&
62534 +2*e_1_0_1 &
62535 -2*e_0_0_0)
62536 e_1_0_2 = zetb*( c1*e_0_0_1 &
62537 +c3*e_1_0_1&
62538
62539 )
62540 e_2_0_2 = zetb*( c1*e_1_0_1 &
62541
62542
62543 )
62544
62545 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62546 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62547 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62548 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62549 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62550 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62551 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62552 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62553 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62554 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62555 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62556 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62557 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62558 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62559 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62560 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62561 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62562 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62563 r1 = r1 + dr
62564 END DO
62565
62566 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62567 END SUBROUTINE
62568 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_3_exp_1 ( &
62569 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62570 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62571 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62572 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62573 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62574 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62575 r_pow_t, r_tmp, rr1_delta, rr2_delta
62576
62577 REAL(kind=dp) :: c1, c2, c3
62578 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
62579 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
62580 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62581 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
62582 & h_to_c_4_5, h_to_c_5_5
62583 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62584
62585 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62586
62587 dr = lgth
62588 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62589
62590 s_r(:, :, :) = 0.0_dp
62591
62592 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62593
62594 h_to_c_0_0 = sqrt(alpha/pi)
62595
62596 h_to_c_0_1 = 0.0_dp
62597 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62598 h_to_c_0_2 = -1*h_to_c_1_1
62599 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62600 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62601 h_to_c_0_3 = -1*h_to_c_1_2
62602 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62603 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62604 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62605 h_to_c_0_4 = -1*h_to_c_1_3
62606 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62607 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62608 h_to_c_3_4 = +2*alpha*h_to_c_2_3
62609 h_to_c_4_4 = +2*alpha*h_to_c_3_3
62610 h_to_c_0_5 = -1*h_to_c_1_4
62611 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62612 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62613 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62614 h_to_c_4_5 = +2*alpha*h_to_c_3_4
62615 h_to_c_5_5 = +2*alpha*h_to_c_4_4
62616
62617 exp_drsq = exp(-alpha*dr*dr)
62618 exp_2drsq = exp_drsq*exp_drsq
62619
62620 rr1_delta = (ra - rb)/dr
62621
62622 rr1_l = ceiling(-r_c(1) + rr1_delta)
62623 rr1_r = floor(r_c(1) + rr1_delta)
62624
62625 r1 = rr1_l*dr
62626
62627 alpha_e = zeta*zetb/(zeta + zetb)
62628
62629 DO rr1 = rr1_l, rr1_r
62630 s_r_t_0 = 0.0_dp
62631 s_r_t2_0 = 0.0_dp
62632 s_r_t_1 = 0.0_dp
62633 s_r_t2_1 = 0.0_dp
62634 s_r_t_2 = 0.0_dp
62635 s_r_t2_2 = 0.0_dp
62636 s_r_t_3 = 0.0_dp
62637 s_r_t2_3 = 0.0_dp
62638 s_r_t_4 = 0.0_dp
62639 s_r_t2_4 = 0.0_dp
62640 s_r_t_5 = 0.0_dp
62641 s_r_t2_5 = 0.0_dp
62642 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62643 rr2_delta = -r_tmp/dr
62644
62645 rr2_l = ceiling(-r_c(2) + rr2_delta)
62646 rr2_r = floor(r_c(2) + rr2_delta)
62647
62648 r = r_tmp + (rr2_l)*dr
62649
62650 exp2_2rdr = exp(-2*alpha*r*dr)
62651 exp2_rsq = exp(-alpha*r*r)
62652
62653 DO rr2 = rr2_l, rr2_r
62654 r_pow_t = 1.0_dp
62655 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62656 r_pow_t = r_pow_t*r
62657 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62658 r_pow_t = r_pow_t*r
62659 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62660 r_pow_t = r_pow_t*r
62661 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62662 r_pow_t = r_pow_t*r
62663 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62664 r_pow_t = r_pow_t*r
62665 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62666
62667 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62668 exp2_2rdr = exp2_2rdr*exp_2drsq
62669 r = r + dr
62670 END DO
62671
62672 ! C --> H
62673 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62674 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62675 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62676 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62677 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62678 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62679 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62680 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62681 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62682 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62683 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62684 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62685 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62686 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62687 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62688 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62689 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62690 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62691 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62692 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62693 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62694
62695 ! H --> HH
62696 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62697
62698 c1 = 1.0_dp/(zeta + zetb)
62699 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62700 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62701
62702 e_0_0_1 = zetb*( &
62703 +c3*e_0_0_0&
62704
62705 )
62706 e_1_0_1 = zetb*( c1*e_0_0_0 &
62707
62708
62709 )
62710 e_0_0_2 = zetb*( &
62711 +c3*e_0_0_1&
62712 +2*e_1_0_1 &
62713 -2*e_0_0_0)
62714 e_1_0_2 = zetb*( c1*e_0_0_1 &
62715 +c3*e_1_0_1&
62716
62717 )
62718 e_2_0_2 = zetb*( c1*e_1_0_1 &
62719
62720
62721 )
62722
62723 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62724 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62725 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62726 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62727 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62728 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62729 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62730 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62731 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62732 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62733 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62734 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62735 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62736 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62737 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62738 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62739 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62740 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62741 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62742 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62743 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62744 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62745 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
62746 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
62747 r1 = r1 + dr
62748 END DO
62749
62750 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62751 END SUBROUTINE
62752 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_4_exp_1 ( &
62753 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62754 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62755 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62756 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62757 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62758 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62759 r_pow_t, r_tmp, rr1_delta, rr2_delta
62760
62761 REAL(kind=dp) :: c1, c2, c3
62762 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
62763 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
62764 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62765 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
62766 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
62767 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62768
62769 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62770
62771 dr = lgth
62772 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62773
62774 s_r(:, :, :) = 0.0_dp
62775
62776 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62777
62778 h_to_c_0_0 = sqrt(alpha/pi)
62779
62780 h_to_c_0_1 = 0.0_dp
62781 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62782 h_to_c_0_2 = -1*h_to_c_1_1
62783 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62784 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62785 h_to_c_0_3 = -1*h_to_c_1_2
62786 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62787 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62788 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62789 h_to_c_0_4 = -1*h_to_c_1_3
62790 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62791 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62792 h_to_c_3_4 = +2*alpha*h_to_c_2_3
62793 h_to_c_4_4 = +2*alpha*h_to_c_3_3
62794 h_to_c_0_5 = -1*h_to_c_1_4
62795 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62796 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62797 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62798 h_to_c_4_5 = +2*alpha*h_to_c_3_4
62799 h_to_c_5_5 = +2*alpha*h_to_c_4_4
62800 h_to_c_0_6 = -1*h_to_c_1_5
62801 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
62802 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
62803 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
62804 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
62805 h_to_c_5_6 = +2*alpha*h_to_c_4_5
62806 h_to_c_6_6 = +2*alpha*h_to_c_5_5
62807
62808 exp_drsq = exp(-alpha*dr*dr)
62809 exp_2drsq = exp_drsq*exp_drsq
62810
62811 rr1_delta = (ra - rb)/dr
62812
62813 rr1_l = ceiling(-r_c(1) + rr1_delta)
62814 rr1_r = floor(r_c(1) + rr1_delta)
62815
62816 r1 = rr1_l*dr
62817
62818 alpha_e = zeta*zetb/(zeta + zetb)
62819
62820 DO rr1 = rr1_l, rr1_r
62821 s_r_t_0 = 0.0_dp
62822 s_r_t2_0 = 0.0_dp
62823 s_r_t_1 = 0.0_dp
62824 s_r_t2_1 = 0.0_dp
62825 s_r_t_2 = 0.0_dp
62826 s_r_t2_2 = 0.0_dp
62827 s_r_t_3 = 0.0_dp
62828 s_r_t2_3 = 0.0_dp
62829 s_r_t_4 = 0.0_dp
62830 s_r_t2_4 = 0.0_dp
62831 s_r_t_5 = 0.0_dp
62832 s_r_t2_5 = 0.0_dp
62833 s_r_t_6 = 0.0_dp
62834 s_r_t2_6 = 0.0_dp
62835 r_tmp = r_offset + r1*zeta/(zeta + zetb)
62836 rr2_delta = -r_tmp/dr
62837
62838 rr2_l = ceiling(-r_c(2) + rr2_delta)
62839 rr2_r = floor(r_c(2) + rr2_delta)
62840
62841 r = r_tmp + (rr2_l)*dr
62842
62843 exp2_2rdr = exp(-2*alpha*r*dr)
62844 exp2_rsq = exp(-alpha*r*r)
62845
62846 DO rr2 = rr2_l, rr2_r
62847 r_pow_t = 1.0_dp
62848 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62849 r_pow_t = r_pow_t*r
62850 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62851 r_pow_t = r_pow_t*r
62852 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62853 r_pow_t = r_pow_t*r
62854 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62855 r_pow_t = r_pow_t*r
62856 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62857 r_pow_t = r_pow_t*r
62858 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62859 r_pow_t = r_pow_t*r
62860 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
62861
62862 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62863 exp2_2rdr = exp2_2rdr*exp_2drsq
62864 r = r + dr
62865 END DO
62866
62867 ! C --> H
62868 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62869 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62870 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62871 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62872 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62873 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62874 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62875 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62876 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62877 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62878 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62879 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62880 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62881 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62882 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62883 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62884 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62885 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62886 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62887 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62888 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62889 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
62890 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
62891 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
62892 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
62893 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
62894 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
62895 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
62896
62897 ! H --> HH
62898 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62899
62900 c1 = 1.0_dp/(zeta + zetb)
62901 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62902 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62903
62904 e_0_0_1 = zetb*( &
62905 +c3*e_0_0_0&
62906
62907 )
62908 e_1_0_1 = zetb*( c1*e_0_0_0 &
62909
62910
62911 )
62912 e_0_0_2 = zetb*( &
62913 +c3*e_0_0_1&
62914 +2*e_1_0_1 &
62915 -2*e_0_0_0)
62916 e_1_0_2 = zetb*( c1*e_0_0_1 &
62917 +c3*e_1_0_1&
62918
62919 )
62920 e_2_0_2 = zetb*( c1*e_1_0_1 &
62921
62922
62923 )
62924
62925 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62926 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62927 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62928 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62929 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62930 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62931 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62932 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62933 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62934 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62935 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62936 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62937 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62938 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62939 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62940 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62941 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62942 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62943 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62944 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62945 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62946 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62947 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
62948 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
62949 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
62950 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
62951 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
62952 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62953 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
62954 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
62955 r1 = r1 + dr
62956 END DO
62957
62958 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62959 END SUBROUTINE
62960 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_0_exp_1 ( &
62961 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62962 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62963 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62964 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62965 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62966 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62967 r_pow_t, r_tmp, rr1_delta, rr2_delta
62968
62969 REAL(kind=dp) :: c1, c2, c3
62970 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
62971 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
62972 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62973 & h_to_c_3_3
62974 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
62975
62976 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62977
62978 dr = lgth
62979 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62980
62981 s_r(:, :, :) = 0.0_dp
62982
62983 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62984
62985 h_to_c_0_0 = sqrt(alpha/pi)
62986
62987 h_to_c_0_1 = 0.0_dp
62988 h_to_c_1_1 = +2*alpha*h_to_c_0_0
62989 h_to_c_0_2 = -1*h_to_c_1_1
62990 h_to_c_1_2 = +2*alpha*h_to_c_0_1
62991 h_to_c_2_2 = +2*alpha*h_to_c_1_1
62992 h_to_c_0_3 = -1*h_to_c_1_2
62993 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62994 h_to_c_2_3 = +2*alpha*h_to_c_1_2
62995 h_to_c_3_3 = +2*alpha*h_to_c_2_2
62996
62997 exp_drsq = exp(-alpha*dr*dr)
62998 exp_2drsq = exp_drsq*exp_drsq
62999
63000 rr1_delta = (ra - rb)/dr
63001
63002 rr1_l = ceiling(-r_c(1) + rr1_delta)
63003 rr1_r = floor(r_c(1) + rr1_delta)
63004
63005 r1 = rr1_l*dr
63006
63007 alpha_e = zeta*zetb/(zeta + zetb)
63008
63009 DO rr1 = rr1_l, rr1_r
63010 s_r_t_0 = 0.0_dp
63011 s_r_t2_0 = 0.0_dp
63012 s_r_t_1 = 0.0_dp
63013 s_r_t2_1 = 0.0_dp
63014 s_r_t_2 = 0.0_dp
63015 s_r_t2_2 = 0.0_dp
63016 s_r_t_3 = 0.0_dp
63017 s_r_t2_3 = 0.0_dp
63018 r_tmp = r_offset + r1*zeta/(zeta + zetb)
63019 rr2_delta = -r_tmp/dr
63020
63021 rr2_l = ceiling(-r_c(2) + rr2_delta)
63022 rr2_r = floor(r_c(2) + rr2_delta)
63023
63024 r = r_tmp + (rr2_l)*dr
63025
63026 exp2_2rdr = exp(-2*alpha*r*dr)
63027 exp2_rsq = exp(-alpha*r*r)
63028
63029 DO rr2 = rr2_l, rr2_r
63030 r_pow_t = 1.0_dp
63031 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63032 r_pow_t = r_pow_t*r
63033 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63034 r_pow_t = r_pow_t*r
63035 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63036 r_pow_t = r_pow_t*r
63037 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63038
63039 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63040 exp2_2rdr = exp2_2rdr*exp_2drsq
63041 r = r + dr
63042 END DO
63043
63044 ! C --> H
63045 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63046 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63047 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63048 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63049 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63050 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63051 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63052 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63053 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63054 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63055
63056 ! H --> HH
63057 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63058
63059 c1 = 1.0_dp/(zeta + zetb)
63060 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63061 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63062
63063 e_0_0_1 = zetb*( &
63064 +c3*e_0_0_0&
63065
63066 )
63067 e_1_0_1 = zetb*( c1*e_0_0_0 &
63068
63069
63070 )
63071 e_0_0_2 = zetb*( &
63072 +c3*e_0_0_1&
63073 +2*e_1_0_1 &
63074 -2*e_0_0_0)
63075 e_1_0_2 = zetb*( c1*e_0_0_1 &
63076 +c3*e_1_0_1&
63077
63078 )
63079 e_2_0_2 = zetb*( c1*e_1_0_1 &
63080
63081
63082 )
63083 e_0_0_3 = zetb*( &
63084 +c3*e_0_0_2&
63085 +2*e_1_0_2 &
63086 -4*e_0_0_1)
63087 e_1_0_3 = zetb*( c1*e_0_0_2 &
63088 +c3*e_1_0_2&
63089 +4*e_2_0_2 &
63090 -4*e_1_0_1)
63091 e_2_0_3 = zetb*( c1*e_1_0_2 &
63092 +c3*e_2_0_2&
63093
63094 )
63095 e_3_0_3 = zetb*( c1*e_2_0_2 &
63096
63097
63098 )
63099
63100 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63101 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63102 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63103 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63104 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63105 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63106 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63107 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63108 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63109 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63110 r1 = r1 + dr
63111 END DO
63112
63113 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63114 END SUBROUTINE
63115 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_1_exp_1 ( &
63116 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63117 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63118 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63119 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63120 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63121 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63122 r_pow_t, r_tmp, rr1_delta, rr2_delta
63123
63124 REAL(kind=dp) :: c1, c2, c3
63125 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
63126 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
63127 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63128 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
63129 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63130
63131 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63132
63133 dr = lgth
63134 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63135
63136 s_r(:, :, :) = 0.0_dp
63137
63138 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63139
63140 h_to_c_0_0 = sqrt(alpha/pi)
63141
63142 h_to_c_0_1 = 0.0_dp
63143 h_to_c_1_1 = +2*alpha*h_to_c_0_0
63144 h_to_c_0_2 = -1*h_to_c_1_1
63145 h_to_c_1_2 = +2*alpha*h_to_c_0_1
63146 h_to_c_2_2 = +2*alpha*h_to_c_1_1
63147 h_to_c_0_3 = -1*h_to_c_1_2
63148 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63149 h_to_c_2_3 = +2*alpha*h_to_c_1_2
63150 h_to_c_3_3 = +2*alpha*h_to_c_2_2
63151 h_to_c_0_4 = -1*h_to_c_1_3
63152 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63153 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63154 h_to_c_3_4 = +2*alpha*h_to_c_2_3
63155 h_to_c_4_4 = +2*alpha*h_to_c_3_3
63156
63157 exp_drsq = exp(-alpha*dr*dr)
63158 exp_2drsq = exp_drsq*exp_drsq
63159
63160 rr1_delta = (ra - rb)/dr
63161
63162 rr1_l = ceiling(-r_c(1) + rr1_delta)
63163 rr1_r = floor(r_c(1) + rr1_delta)
63164
63165 r1 = rr1_l*dr
63166
63167 alpha_e = zeta*zetb/(zeta + zetb)
63168
63169 DO rr1 = rr1_l, rr1_r
63170 s_r_t_0 = 0.0_dp
63171 s_r_t2_0 = 0.0_dp
63172 s_r_t_1 = 0.0_dp
63173 s_r_t2_1 = 0.0_dp
63174 s_r_t_2 = 0.0_dp
63175 s_r_t2_2 = 0.0_dp
63176 s_r_t_3 = 0.0_dp
63177 s_r_t2_3 = 0.0_dp
63178 s_r_t_4 = 0.0_dp
63179 s_r_t2_4 = 0.0_dp
63180 r_tmp = r_offset + r1*zeta/(zeta + zetb)
63181 rr2_delta = -r_tmp/dr
63182
63183 rr2_l = ceiling(-r_c(2) + rr2_delta)
63184 rr2_r = floor(r_c(2) + rr2_delta)
63185
63186 r = r_tmp + (rr2_l)*dr
63187
63188 exp2_2rdr = exp(-2*alpha*r*dr)
63189 exp2_rsq = exp(-alpha*r*r)
63190
63191 DO rr2 = rr2_l, rr2_r
63192 r_pow_t = 1.0_dp
63193 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63194 r_pow_t = r_pow_t*r
63195 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63196 r_pow_t = r_pow_t*r
63197 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63198 r_pow_t = r_pow_t*r
63199 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63200 r_pow_t = r_pow_t*r
63201 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63202
63203 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63204 exp2_2rdr = exp2_2rdr*exp_2drsq
63205 r = r + dr
63206 END DO
63207
63208 ! C --> H
63209 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63210 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63211 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63212 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63213 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63214 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63215 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63216 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63217 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63218 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63219 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63220 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63221 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63222 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63223 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63224
63225 ! H --> HH
63226 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63227
63228 c1 = 1.0_dp/(zeta + zetb)
63229 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63230 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63231
63232 e_0_0_1 = zetb*( &
63233 +c3*e_0_0_0&
63234
63235 )
63236 e_1_0_1 = zetb*( c1*e_0_0_0 &
63237
63238
63239 )
63240 e_0_0_2 = zetb*( &
63241 +c3*e_0_0_1&
63242 +2*e_1_0_1 &
63243 -2*e_0_0_0)
63244 e_1_0_2 = zetb*( c1*e_0_0_1 &
63245 +c3*e_1_0_1&
63246
63247 )
63248 e_2_0_2 = zetb*( c1*e_1_0_1 &
63249
63250
63251 )
63252 e_0_0_3 = zetb*( &
63253 +c3*e_0_0_2&
63254 +2*e_1_0_2 &
63255 -4*e_0_0_1)
63256 e_1_0_3 = zetb*( c1*e_0_0_2 &
63257 +c3*e_1_0_2&
63258 +4*e_2_0_2 &
63259 -4*e_1_0_1)
63260 e_2_0_3 = zetb*( c1*e_1_0_2 &
63261 +c3*e_2_0_2&
63262
63263 )
63264 e_3_0_3 = zetb*( c1*e_2_0_2 &
63265
63266
63267 )
63268
63269 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63270 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63271 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63272 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63273 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63274 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63275 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63276 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63277 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63278 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63279 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63280 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63281 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63282 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63283 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63284 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63285 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63286 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63287 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63288 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63289 r1 = r1 + dr
63290 END DO
63291
63292 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63293 END SUBROUTINE
63294 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_2_exp_1 ( &
63295 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63296 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63297 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63298 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63299 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63300 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63301 r_pow_t, r_tmp, rr1_delta, rr2_delta
63302
63303 REAL(kind=dp) :: c1, c2, c3
63304 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
63305 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
63306 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63307 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63308 & h_to_c_4_5, h_to_c_5_5
63309 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63310
63311 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63312
63313 dr = lgth
63314 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63315
63316 s_r(:, :, :) = 0.0_dp
63317
63318 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63319
63320 h_to_c_0_0 = sqrt(alpha/pi)
63321
63322 h_to_c_0_1 = 0.0_dp
63323 h_to_c_1_1 = +2*alpha*h_to_c_0_0
63324 h_to_c_0_2 = -1*h_to_c_1_1
63325 h_to_c_1_2 = +2*alpha*h_to_c_0_1
63326 h_to_c_2_2 = +2*alpha*h_to_c_1_1
63327 h_to_c_0_3 = -1*h_to_c_1_2
63328 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63329 h_to_c_2_3 = +2*alpha*h_to_c_1_2
63330 h_to_c_3_3 = +2*alpha*h_to_c_2_2
63331 h_to_c_0_4 = -1*h_to_c_1_3
63332 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63333 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63334 h_to_c_3_4 = +2*alpha*h_to_c_2_3
63335 h_to_c_4_4 = +2*alpha*h_to_c_3_3
63336 h_to_c_0_5 = -1*h_to_c_1_4
63337 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63338 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63339 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63340 h_to_c_4_5 = +2*alpha*h_to_c_3_4
63341 h_to_c_5_5 = +2*alpha*h_to_c_4_4
63342
63343 exp_drsq = exp(-alpha*dr*dr)
63344 exp_2drsq = exp_drsq*exp_drsq
63345
63346 rr1_delta = (ra - rb)/dr
63347
63348 rr1_l = ceiling(-r_c(1) + rr1_delta)
63349 rr1_r = floor(r_c(1) + rr1_delta)
63350
63351 r1 = rr1_l*dr
63352
63353 alpha_e = zeta*zetb/(zeta + zetb)
63354
63355 DO rr1 = rr1_l, rr1_r
63356 s_r_t_0 = 0.0_dp
63357 s_r_t2_0 = 0.0_dp
63358 s_r_t_1 = 0.0_dp
63359 s_r_t2_1 = 0.0_dp
63360 s_r_t_2 = 0.0_dp
63361 s_r_t2_2 = 0.0_dp
63362 s_r_t_3 = 0.0_dp
63363 s_r_t2_3 = 0.0_dp
63364 s_r_t_4 = 0.0_dp
63365 s_r_t2_4 = 0.0_dp
63366 s_r_t_5 = 0.0_dp
63367 s_r_t2_5 = 0.0_dp
63368 r_tmp = r_offset + r1*zeta/(zeta + zetb)
63369 rr2_delta = -r_tmp/dr
63370
63371 rr2_l = ceiling(-r_c(2) + rr2_delta)
63372 rr2_r = floor(r_c(2) + rr2_delta)
63373
63374 r = r_tmp + (rr2_l)*dr
63375
63376 exp2_2rdr = exp(-2*alpha*r*dr)
63377 exp2_rsq = exp(-alpha*r*r)
63378
63379 DO rr2 = rr2_l, rr2_r
63380 r_pow_t = 1.0_dp
63381 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63382 r_pow_t = r_pow_t*r
63383 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63384 r_pow_t = r_pow_t*r
63385 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63386 r_pow_t = r_pow_t*r
63387 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63388 r_pow_t = r_pow_t*r
63389 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63390 r_pow_t = r_pow_t*r
63391 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63392
63393 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63394 exp2_2rdr = exp2_2rdr*exp_2drsq
63395 r = r + dr
63396 END DO
63397
63398 ! C --> H
63399 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63400 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63401 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63402 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63403 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63404 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63405 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63406 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63407 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63408 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63409 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63410 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63411 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63412 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63413 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63414 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63415 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63416 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63417 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63418 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63419 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63420
63421 ! H --> HH
63422 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63423
63424 c1 = 1.0_dp/(zeta + zetb)
63425 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63426 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63427
63428 e_0_0_1 = zetb*( &
63429 +c3*e_0_0_0&
63430
63431 )
63432 e_1_0_1 = zetb*( c1*e_0_0_0 &
63433
63434
63435 )
63436 e_0_0_2 = zetb*( &
63437 +c3*e_0_0_1&
63438 +2*e_1_0_1 &
63439 -2*e_0_0_0)
63440 e_1_0_2 = zetb*( c1*e_0_0_1 &
63441 +c3*e_1_0_1&
63442
63443 )
63444 e_2_0_2 = zetb*( c1*e_1_0_1 &
63445
63446
63447 )
63448 e_0_0_3 = zetb*( &
63449 +c3*e_0_0_2&
63450 +2*e_1_0_2 &
63451 -4*e_0_0_1)
63452 e_1_0_3 = zetb*( c1*e_0_0_2 &
63453 +c3*e_1_0_2&
63454 +4*e_2_0_2 &
63455 -4*e_1_0_1)
63456 e_2_0_3 = zetb*( c1*e_1_0_2 &
63457 +c3*e_2_0_2&
63458
63459 )
63460 e_3_0_3 = zetb*( c1*e_2_0_2 &
63461
63462
63463 )
63464
63465 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63466 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63467 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63468 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63469 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63470 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63471 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63472 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63473 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63474 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63475 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63476 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63477 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63478 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63479 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63480 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63481 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63482 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63483 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63484 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63485 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63486 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63487 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63488 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63489 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63490 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63491 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63492 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63493 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63494 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63495 r1 = r1 + dr
63496 END DO
63497
63498 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63499 END SUBROUTINE
63500 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_3_exp_1 ( &
63501 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63502 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63503 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63504 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63505 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63506 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63507 r_pow_t, r_tmp, rr1_delta, rr2_delta
63508
63509 REAL(kind=dp) :: c1, c2, c3
63510 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
63511 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
63512 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63513 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63514 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
63515 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63516
63517 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63518
63519 dr = lgth
63520 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63521
63522 s_r(:, :, :) = 0.0_dp
63523
63524 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63525
63526 h_to_c_0_0 = sqrt(alpha/pi)
63527
63528 h_to_c_0_1 = 0.0_dp
63529 h_to_c_1_1 = +2*alpha*h_to_c_0_0
63530 h_to_c_0_2 = -1*h_to_c_1_1
63531 h_to_c_1_2 = +2*alpha*h_to_c_0_1
63532 h_to_c_2_2 = +2*alpha*h_to_c_1_1
63533 h_to_c_0_3 = -1*h_to_c_1_2
63534 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63535 h_to_c_2_3 = +2*alpha*h_to_c_1_2
63536 h_to_c_3_3 = +2*alpha*h_to_c_2_2
63537 h_to_c_0_4 = -1*h_to_c_1_3
63538 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63539 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63540 h_to_c_3_4 = +2*alpha*h_to_c_2_3
63541 h_to_c_4_4 = +2*alpha*h_to_c_3_3
63542 h_to_c_0_5 = -1*h_to_c_1_4
63543 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63544 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63545 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63546 h_to_c_4_5 = +2*alpha*h_to_c_3_4
63547 h_to_c_5_5 = +2*alpha*h_to_c_4_4
63548 h_to_c_0_6 = -1*h_to_c_1_5
63549 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
63550 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
63551 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
63552 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
63553 h_to_c_5_6 = +2*alpha*h_to_c_4_5
63554 h_to_c_6_6 = +2*alpha*h_to_c_5_5
63555
63556 exp_drsq = exp(-alpha*dr*dr)
63557 exp_2drsq = exp_drsq*exp_drsq
63558
63559 rr1_delta = (ra - rb)/dr
63560
63561 rr1_l = ceiling(-r_c(1) + rr1_delta)
63562 rr1_r = floor(r_c(1) + rr1_delta)
63563
63564 r1 = rr1_l*dr
63565
63566 alpha_e = zeta*zetb/(zeta + zetb)
63567
63568 DO rr1 = rr1_l, rr1_r
63569 s_r_t_0 = 0.0_dp
63570 s_r_t2_0 = 0.0_dp
63571 s_r_t_1 = 0.0_dp
63572 s_r_t2_1 = 0.0_dp
63573 s_r_t_2 = 0.0_dp
63574 s_r_t2_2 = 0.0_dp
63575 s_r_t_3 = 0.0_dp
63576 s_r_t2_3 = 0.0_dp
63577 s_r_t_4 = 0.0_dp
63578 s_r_t2_4 = 0.0_dp
63579 s_r_t_5 = 0.0_dp
63580 s_r_t2_5 = 0.0_dp
63581 s_r_t_6 = 0.0_dp
63582 s_r_t2_6 = 0.0_dp
63583 r_tmp = r_offset + r1*zeta/(zeta + zetb)
63584 rr2_delta = -r_tmp/dr
63585
63586 rr2_l = ceiling(-r_c(2) + rr2_delta)
63587 rr2_r = floor(r_c(2) + rr2_delta)
63588
63589 r = r_tmp + (rr2_l)*dr
63590
63591 exp2_2rdr = exp(-2*alpha*r*dr)
63592 exp2_rsq = exp(-alpha*r*r)
63593
63594 DO rr2 = rr2_l, rr2_r
63595 r_pow_t = 1.0_dp
63596 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63597 r_pow_t = r_pow_t*r
63598 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63599 r_pow_t = r_pow_t*r
63600 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63601 r_pow_t = r_pow_t*r
63602 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63603 r_pow_t = r_pow_t*r
63604 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63605 r_pow_t = r_pow_t*r
63606 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63607 r_pow_t = r_pow_t*r
63608 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
63609
63610 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63611 exp2_2rdr = exp2_2rdr*exp_2drsq
63612 r = r + dr
63613 END DO
63614
63615 ! C --> H
63616 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63617 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63618 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63619 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63620 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63621 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63622 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63623 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63624 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63625 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63626 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63627 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63628 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63629 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63630 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63631 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63632 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63633 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63634 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63635 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63636 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63637 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
63638 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
63639 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
63640 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
63641 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
63642 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
63643 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
63644
63645 ! H --> HH
63646 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63647
63648 c1 = 1.0_dp/(zeta + zetb)
63649 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63650 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63651
63652 e_0_0_1 = zetb*( &
63653 +c3*e_0_0_0&
63654
63655 )
63656 e_1_0_1 = zetb*( c1*e_0_0_0 &
63657
63658
63659 )
63660 e_0_0_2 = zetb*( &
63661 +c3*e_0_0_1&
63662 +2*e_1_0_1 &
63663 -2*e_0_0_0)
63664 e_1_0_2 = zetb*( c1*e_0_0_1 &
63665 +c3*e_1_0_1&
63666
63667 )
63668 e_2_0_2 = zetb*( c1*e_1_0_1 &
63669
63670
63671 )
63672 e_0_0_3 = zetb*( &
63673 +c3*e_0_0_2&
63674 +2*e_1_0_2 &
63675 -4*e_0_0_1)
63676 e_1_0_3 = zetb*( c1*e_0_0_2 &
63677 +c3*e_1_0_2&
63678 +4*e_2_0_2 &
63679 -4*e_1_0_1)
63680 e_2_0_3 = zetb*( c1*e_1_0_2 &
63681 +c3*e_2_0_2&
63682
63683 )
63684 e_3_0_3 = zetb*( c1*e_2_0_2 &
63685
63686
63687 )
63688
63689 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63690 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63691 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63692 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63693 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63694 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63695 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63696 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63697 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63698 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63699 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63700 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63701 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63702 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63703 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63704 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63705 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63706 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63707 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63708 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63709 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63710 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63711 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63712 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63713 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63714 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63715 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63716 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63717 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63718 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63719 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
63720 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
63721 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
63722 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63723 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
63724 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
63725 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63726 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63727 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
63728 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
63729 r1 = r1 + dr
63730 END DO
63731
63732 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63733 END SUBROUTINE
63734 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_4_exp_1 ( &
63735 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63736 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63737 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63738 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63739 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63740 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63741 r_pow_t, r_tmp, rr1_delta, rr2_delta
63742
63743 REAL(kind=dp) :: c1, c2, c3
63744 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
63745 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
63746 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63747 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63748 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
63749 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
63750 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63751
63752 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63753
63754 dr = lgth
63755 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63756
63757 s_r(:, :, :) = 0.0_dp
63758
63759 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63760
63761 h_to_c_0_0 = sqrt(alpha/pi)
63762
63763 h_to_c_0_1 = 0.0_dp
63764 h_to_c_1_1 = +2*alpha*h_to_c_0_0
63765 h_to_c_0_2 = -1*h_to_c_1_1
63766 h_to_c_1_2 = +2*alpha*h_to_c_0_1
63767 h_to_c_2_2 = +2*alpha*h_to_c_1_1
63768 h_to_c_0_3 = -1*h_to_c_1_2
63769 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63770 h_to_c_2_3 = +2*alpha*h_to_c_1_2
63771 h_to_c_3_3 = +2*alpha*h_to_c_2_2
63772 h_to_c_0_4 = -1*h_to_c_1_3
63773 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63774 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63775 h_to_c_3_4 = +2*alpha*h_to_c_2_3
63776 h_to_c_4_4 = +2*alpha*h_to_c_3_3
63777 h_to_c_0_5 = -1*h_to_c_1_4
63778 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63779 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63780 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63781 h_to_c_4_5 = +2*alpha*h_to_c_3_4
63782 h_to_c_5_5 = +2*alpha*h_to_c_4_4
63783 h_to_c_0_6 = -1*h_to_c_1_5
63784 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
63785 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
63786 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
63787 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
63788 h_to_c_5_6 = +2*alpha*h_to_c_4_5
63789 h_to_c_6_6 = +2*alpha*h_to_c_5_5
63790 h_to_c_0_7 = -1*h_to_c_1_6
63791 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
63792 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
63793 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
63794 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
63795 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
63796 h_to_c_6_7 = +2*alpha*h_to_c_5_6
63797 h_to_c_7_7 = +2*alpha*h_to_c_6_6
63798
63799 exp_drsq = exp(-alpha*dr*dr)
63800 exp_2drsq = exp_drsq*exp_drsq
63801
63802 rr1_delta = (ra - rb)/dr
63803
63804 rr1_l = ceiling(-r_c(1) + rr1_delta)
63805 rr1_r = floor(r_c(1) + rr1_delta)
63806
63807 r1 = rr1_l*dr
63808
63809 alpha_e = zeta*zetb/(zeta + zetb)
63810
63811 DO rr1 = rr1_l, rr1_r
63812 s_r_t_0 = 0.0_dp
63813 s_r_t2_0 = 0.0_dp
63814 s_r_t_1 = 0.0_dp
63815 s_r_t2_1 = 0.0_dp
63816 s_r_t_2 = 0.0_dp
63817 s_r_t2_2 = 0.0_dp
63818 s_r_t_3 = 0.0_dp
63819 s_r_t2_3 = 0.0_dp
63820 s_r_t_4 = 0.0_dp
63821 s_r_t2_4 = 0.0_dp
63822 s_r_t_5 = 0.0_dp
63823 s_r_t2_5 = 0.0_dp
63824 s_r_t_6 = 0.0_dp
63825 s_r_t2_6 = 0.0_dp
63826 s_r_t_7 = 0.0_dp
63827 s_r_t2_7 = 0.0_dp
63828 r_tmp = r_offset + r1*zeta/(zeta + zetb)
63829 rr2_delta = -r_tmp/dr
63830
63831 rr2_l = ceiling(-r_c(2) + rr2_delta)
63832 rr2_r = floor(r_c(2) + rr2_delta)
63833
63834 r = r_tmp + (rr2_l)*dr
63835
63836 exp2_2rdr = exp(-2*alpha*r*dr)
63837 exp2_rsq = exp(-alpha*r*r)
63838
63839 DO rr2 = rr2_l, rr2_r
63840 r_pow_t = 1.0_dp
63841 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63842 r_pow_t = r_pow_t*r
63843 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63844 r_pow_t = r_pow_t*r
63845 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63846 r_pow_t = r_pow_t*r
63847 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63848 r_pow_t = r_pow_t*r
63849 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63850 r_pow_t = r_pow_t*r
63851 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63852 r_pow_t = r_pow_t*r
63853 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
63854 r_pow_t = r_pow_t*r
63855 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
63856
63857 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63858 exp2_2rdr = exp2_2rdr*exp_2drsq
63859 r = r + dr
63860 END DO
63861
63862 ! C --> H
63863 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63864 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63865 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63866 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63867 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63868 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63869 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63870 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63871 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63872 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63873 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63874 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63875 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63876 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63877 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63878 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63879 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63880 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63881 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63882 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63883 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63884 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
63885 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
63886 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
63887 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
63888 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
63889 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
63890 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
63891 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
63892 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
63893 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
63894 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
63895 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
63896 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
63897 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
63898 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
63899
63900 ! H --> HH
63901 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63902
63903 c1 = 1.0_dp/(zeta + zetb)
63904 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63905 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63906
63907 e_0_0_1 = zetb*( &
63908 +c3*e_0_0_0&
63909
63910 )
63911 e_1_0_1 = zetb*( c1*e_0_0_0 &
63912
63913
63914 )
63915 e_0_0_2 = zetb*( &
63916 +c3*e_0_0_1&
63917 +2*e_1_0_1 &
63918 -2*e_0_0_0)
63919 e_1_0_2 = zetb*( c1*e_0_0_1 &
63920 +c3*e_1_0_1&
63921
63922 )
63923 e_2_0_2 = zetb*( c1*e_1_0_1 &
63924
63925
63926 )
63927 e_0_0_3 = zetb*( &
63928 +c3*e_0_0_2&
63929 +2*e_1_0_2 &
63930 -4*e_0_0_1)
63931 e_1_0_3 = zetb*( c1*e_0_0_2 &
63932 +c3*e_1_0_2&
63933 +4*e_2_0_2 &
63934 -4*e_1_0_1)
63935 e_2_0_3 = zetb*( c1*e_1_0_2 &
63936 +c3*e_2_0_2&
63937
63938 )
63939 e_3_0_3 = zetb*( c1*e_2_0_2 &
63940
63941
63942 )
63943
63944 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63945 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63946 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63947 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63948 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63949 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63950 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63951 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63952 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63953 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63954 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63955 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63956 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63957 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63958 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63959 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63960 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63961 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63962 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63963 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63964 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63965 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63966 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63967 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63968 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63969 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63970 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63971 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63972 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63973 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63974 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
63975 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
63976 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
63977 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63978 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
63979 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
63980 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63981 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63982 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
63983 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
63984 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
63985 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
63986 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
63987 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63988 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
63989 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
63990 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63991 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63992 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
63993 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
63994 r1 = r1 + dr
63995 END DO
63996
63997 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63998 END SUBROUTINE
63999 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_0_exp_1 ( &
64000 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64001 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64002 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64003 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64004 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64005 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64006 r_pow_t, r_tmp, rr1_delta, rr2_delta
64007
64008 REAL(kind=dp) :: c1, c2, c3
64009 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
64010 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
64011 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64012 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
64013 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64014 & e_2_0_4, e_3_0_4, e_4_0_4
64015
64016 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64017
64018 dr = lgth
64019 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64020
64021 s_r(:, :, :) = 0.0_dp
64022
64023 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64024
64025 h_to_c_0_0 = sqrt(alpha/pi)
64026
64027 h_to_c_0_1 = 0.0_dp
64028 h_to_c_1_1 = +2*alpha*h_to_c_0_0
64029 h_to_c_0_2 = -1*h_to_c_1_1
64030 h_to_c_1_2 = +2*alpha*h_to_c_0_1
64031 h_to_c_2_2 = +2*alpha*h_to_c_1_1
64032 h_to_c_0_3 = -1*h_to_c_1_2
64033 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64034 h_to_c_2_3 = +2*alpha*h_to_c_1_2
64035 h_to_c_3_3 = +2*alpha*h_to_c_2_2
64036 h_to_c_0_4 = -1*h_to_c_1_3
64037 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64038 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64039 h_to_c_3_4 = +2*alpha*h_to_c_2_3
64040 h_to_c_4_4 = +2*alpha*h_to_c_3_3
64041
64042 exp_drsq = exp(-alpha*dr*dr)
64043 exp_2drsq = exp_drsq*exp_drsq
64044
64045 rr1_delta = (ra - rb)/dr
64046
64047 rr1_l = ceiling(-r_c(1) + rr1_delta)
64048 rr1_r = floor(r_c(1) + rr1_delta)
64049
64050 r1 = rr1_l*dr
64051
64052 alpha_e = zeta*zetb/(zeta + zetb)
64053
64054 DO rr1 = rr1_l, rr1_r
64055 s_r_t_0 = 0.0_dp
64056 s_r_t2_0 = 0.0_dp
64057 s_r_t_1 = 0.0_dp
64058 s_r_t2_1 = 0.0_dp
64059 s_r_t_2 = 0.0_dp
64060 s_r_t2_2 = 0.0_dp
64061 s_r_t_3 = 0.0_dp
64062 s_r_t2_3 = 0.0_dp
64063 s_r_t_4 = 0.0_dp
64064 s_r_t2_4 = 0.0_dp
64065 r_tmp = r_offset + r1*zeta/(zeta + zetb)
64066 rr2_delta = -r_tmp/dr
64067
64068 rr2_l = ceiling(-r_c(2) + rr2_delta)
64069 rr2_r = floor(r_c(2) + rr2_delta)
64070
64071 r = r_tmp + (rr2_l)*dr
64072
64073 exp2_2rdr = exp(-2*alpha*r*dr)
64074 exp2_rsq = exp(-alpha*r*r)
64075
64076 DO rr2 = rr2_l, rr2_r
64077 r_pow_t = 1.0_dp
64078 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64079 r_pow_t = r_pow_t*r
64080 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64081 r_pow_t = r_pow_t*r
64082 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64083 r_pow_t = r_pow_t*r
64084 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64085 r_pow_t = r_pow_t*r
64086 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64087
64088 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64089 exp2_2rdr = exp2_2rdr*exp_2drsq
64090 r = r + dr
64091 END DO
64092
64093 ! C --> H
64094 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64095 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64096 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64097 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64098 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64099 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64100 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64101 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64102 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64103 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64104 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64105 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64106 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64107 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64108 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64109
64110 ! H --> HH
64111 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64112
64113 c1 = 1.0_dp/(zeta + zetb)
64114 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64115 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64116
64117 e_0_0_1 = zetb*( &
64118 +c3*e_0_0_0&
64119
64120 )
64121 e_1_0_1 = zetb*( c1*e_0_0_0 &
64122
64123
64124 )
64125 e_0_0_2 = zetb*( &
64126 +c3*e_0_0_1&
64127 +2*e_1_0_1 &
64128 -2*e_0_0_0)
64129 e_1_0_2 = zetb*( c1*e_0_0_1 &
64130 +c3*e_1_0_1&
64131
64132 )
64133 e_2_0_2 = zetb*( c1*e_1_0_1 &
64134
64135
64136 )
64137 e_0_0_3 = zetb*( &
64138 +c3*e_0_0_2&
64139 +2*e_1_0_2 &
64140 -4*e_0_0_1)
64141 e_1_0_3 = zetb*( c1*e_0_0_2 &
64142 +c3*e_1_0_2&
64143 +4*e_2_0_2 &
64144 -4*e_1_0_1)
64145 e_2_0_3 = zetb*( c1*e_1_0_2 &
64146 +c3*e_2_0_2&
64147
64148 )
64149 e_3_0_3 = zetb*( c1*e_2_0_2 &
64150
64151
64152 )
64153 e_0_0_4 = zetb*( &
64154 +c3*e_0_0_3&
64155 +2*e_1_0_3 &
64156 -6*e_0_0_2)
64157 e_1_0_4 = zetb*( c1*e_0_0_3 &
64158 +c3*e_1_0_3&
64159 +4*e_2_0_3 &
64160 -6*e_1_0_2)
64161 e_2_0_4 = zetb*( c1*e_1_0_3 &
64162 +c3*e_2_0_3&
64163 +6*e_3_0_3 &
64164 -6*e_2_0_2)
64165 e_3_0_4 = zetb*( c1*e_2_0_3 &
64166 +c3*e_3_0_3&
64167
64168 )
64169 e_4_0_4 = zetb*( c1*e_3_0_3 &
64170
64171
64172 )
64173
64174 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64175 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64176 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64177 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64178 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64179 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64180 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64181 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64182 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64183 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64184 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64185 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64186 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64187 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64188 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64189 r1 = r1 + dr
64190 END DO
64191
64192 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64193 END SUBROUTINE
64194 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_1_exp_1 ( &
64195 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64196 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64197 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64198 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64199 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64200 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64201 r_pow_t, r_tmp, rr1_delta, rr2_delta
64202
64203 REAL(kind=dp) :: c1, c2, c3
64204 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
64205 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
64206 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64207 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64208 & h_to_c_4_5, h_to_c_5_5
64209 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64210 & e_2_0_4, e_3_0_4, e_4_0_4
64211
64212 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64213
64214 dr = lgth
64215 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64216
64217 s_r(:, :, :) = 0.0_dp
64218
64219 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64220
64221 h_to_c_0_0 = sqrt(alpha/pi)
64222
64223 h_to_c_0_1 = 0.0_dp
64224 h_to_c_1_1 = +2*alpha*h_to_c_0_0
64225 h_to_c_0_2 = -1*h_to_c_1_1
64226 h_to_c_1_2 = +2*alpha*h_to_c_0_1
64227 h_to_c_2_2 = +2*alpha*h_to_c_1_1
64228 h_to_c_0_3 = -1*h_to_c_1_2
64229 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64230 h_to_c_2_3 = +2*alpha*h_to_c_1_2
64231 h_to_c_3_3 = +2*alpha*h_to_c_2_2
64232 h_to_c_0_4 = -1*h_to_c_1_3
64233 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64234 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64235 h_to_c_3_4 = +2*alpha*h_to_c_2_3
64236 h_to_c_4_4 = +2*alpha*h_to_c_3_3
64237 h_to_c_0_5 = -1*h_to_c_1_4
64238 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64239 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64240 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64241 h_to_c_4_5 = +2*alpha*h_to_c_3_4
64242 h_to_c_5_5 = +2*alpha*h_to_c_4_4
64243
64244 exp_drsq = exp(-alpha*dr*dr)
64245 exp_2drsq = exp_drsq*exp_drsq
64246
64247 rr1_delta = (ra - rb)/dr
64248
64249 rr1_l = ceiling(-r_c(1) + rr1_delta)
64250 rr1_r = floor(r_c(1) + rr1_delta)
64251
64252 r1 = rr1_l*dr
64253
64254 alpha_e = zeta*zetb/(zeta + zetb)
64255
64256 DO rr1 = rr1_l, rr1_r
64257 s_r_t_0 = 0.0_dp
64258 s_r_t2_0 = 0.0_dp
64259 s_r_t_1 = 0.0_dp
64260 s_r_t2_1 = 0.0_dp
64261 s_r_t_2 = 0.0_dp
64262 s_r_t2_2 = 0.0_dp
64263 s_r_t_3 = 0.0_dp
64264 s_r_t2_3 = 0.0_dp
64265 s_r_t_4 = 0.0_dp
64266 s_r_t2_4 = 0.0_dp
64267 s_r_t_5 = 0.0_dp
64268 s_r_t2_5 = 0.0_dp
64269 r_tmp = r_offset + r1*zeta/(zeta + zetb)
64270 rr2_delta = -r_tmp/dr
64271
64272 rr2_l = ceiling(-r_c(2) + rr2_delta)
64273 rr2_r = floor(r_c(2) + rr2_delta)
64274
64275 r = r_tmp + (rr2_l)*dr
64276
64277 exp2_2rdr = exp(-2*alpha*r*dr)
64278 exp2_rsq = exp(-alpha*r*r)
64279
64280 DO rr2 = rr2_l, rr2_r
64281 r_pow_t = 1.0_dp
64282 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64283 r_pow_t = r_pow_t*r
64284 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64285 r_pow_t = r_pow_t*r
64286 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64287 r_pow_t = r_pow_t*r
64288 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64289 r_pow_t = r_pow_t*r
64290 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64291 r_pow_t = r_pow_t*r
64292 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64293
64294 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64295 exp2_2rdr = exp2_2rdr*exp_2drsq
64296 r = r + dr
64297 END DO
64298
64299 ! C --> H
64300 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64301 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64302 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64303 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64304 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64305 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64306 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64307 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64308 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64309 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64310 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64311 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64312 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64313 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64314 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64315 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64316 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64317 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64318 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64319 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64320 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64321
64322 ! H --> HH
64323 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64324
64325 c1 = 1.0_dp/(zeta + zetb)
64326 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64327 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64328
64329 e_0_0_1 = zetb*( &
64330 +c3*e_0_0_0&
64331
64332 )
64333 e_1_0_1 = zetb*( c1*e_0_0_0 &
64334
64335
64336 )
64337 e_0_0_2 = zetb*( &
64338 +c3*e_0_0_1&
64339 +2*e_1_0_1 &
64340 -2*e_0_0_0)
64341 e_1_0_2 = zetb*( c1*e_0_0_1 &
64342 +c3*e_1_0_1&
64343
64344 )
64345 e_2_0_2 = zetb*( c1*e_1_0_1 &
64346
64347
64348 )
64349 e_0_0_3 = zetb*( &
64350 +c3*e_0_0_2&
64351 +2*e_1_0_2 &
64352 -4*e_0_0_1)
64353 e_1_0_3 = zetb*( c1*e_0_0_2 &
64354 +c3*e_1_0_2&
64355 +4*e_2_0_2 &
64356 -4*e_1_0_1)
64357 e_2_0_3 = zetb*( c1*e_1_0_2 &
64358 +c3*e_2_0_2&
64359
64360 )
64361 e_3_0_3 = zetb*( c1*e_2_0_2 &
64362
64363
64364 )
64365 e_0_0_4 = zetb*( &
64366 +c3*e_0_0_3&
64367 +2*e_1_0_3 &
64368 -6*e_0_0_2)
64369 e_1_0_4 = zetb*( c1*e_0_0_3 &
64370 +c3*e_1_0_3&
64371 +4*e_2_0_3 &
64372 -6*e_1_0_2)
64373 e_2_0_4 = zetb*( c1*e_1_0_3 &
64374 +c3*e_2_0_3&
64375 +6*e_3_0_3 &
64376 -6*e_2_0_2)
64377 e_3_0_4 = zetb*( c1*e_2_0_3 &
64378 +c3*e_3_0_3&
64379
64380 )
64381 e_4_0_4 = zetb*( c1*e_3_0_3 &
64382
64383
64384 )
64385
64386 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64387 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64388 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64389 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64390 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64391 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64392 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64393 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64394 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64395 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64396 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64397 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64398 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64399 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64400 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64401 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64402 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64403 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64404 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64405 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64406 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64407 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64408 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64409 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64410 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64411 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64412 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64413 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64414 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64415 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64416 r1 = r1 + dr
64417 END DO
64418
64419 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64420 END SUBROUTINE
64421 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_2_exp_1 ( &
64422 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64423 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64424 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64425 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64426 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64427 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64428 r_pow_t, r_tmp, rr1_delta, rr2_delta
64429
64430 REAL(kind=dp) :: c1, c2, c3
64431 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
64432 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
64433 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64434 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64435 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
64436 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64437 & e_2_0_4, e_3_0_4, e_4_0_4
64438
64439 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64440
64441 dr = lgth
64442 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64443
64444 s_r(:, :, :) = 0.0_dp
64445
64446 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64447
64448 h_to_c_0_0 = sqrt(alpha/pi)
64449
64450 h_to_c_0_1 = 0.0_dp
64451 h_to_c_1_1 = +2*alpha*h_to_c_0_0
64452 h_to_c_0_2 = -1*h_to_c_1_1
64453 h_to_c_1_2 = +2*alpha*h_to_c_0_1
64454 h_to_c_2_2 = +2*alpha*h_to_c_1_1
64455 h_to_c_0_3 = -1*h_to_c_1_2
64456 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64457 h_to_c_2_3 = +2*alpha*h_to_c_1_2
64458 h_to_c_3_3 = +2*alpha*h_to_c_2_2
64459 h_to_c_0_4 = -1*h_to_c_1_3
64460 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64461 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64462 h_to_c_3_4 = +2*alpha*h_to_c_2_3
64463 h_to_c_4_4 = +2*alpha*h_to_c_3_3
64464 h_to_c_0_5 = -1*h_to_c_1_4
64465 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64466 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64467 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64468 h_to_c_4_5 = +2*alpha*h_to_c_3_4
64469 h_to_c_5_5 = +2*alpha*h_to_c_4_4
64470 h_to_c_0_6 = -1*h_to_c_1_5
64471 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
64472 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
64473 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
64474 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
64475 h_to_c_5_6 = +2*alpha*h_to_c_4_5
64476 h_to_c_6_6 = +2*alpha*h_to_c_5_5
64477
64478 exp_drsq = exp(-alpha*dr*dr)
64479 exp_2drsq = exp_drsq*exp_drsq
64480
64481 rr1_delta = (ra - rb)/dr
64482
64483 rr1_l = ceiling(-r_c(1) + rr1_delta)
64484 rr1_r = floor(r_c(1) + rr1_delta)
64485
64486 r1 = rr1_l*dr
64487
64488 alpha_e = zeta*zetb/(zeta + zetb)
64489
64490 DO rr1 = rr1_l, rr1_r
64491 s_r_t_0 = 0.0_dp
64492 s_r_t2_0 = 0.0_dp
64493 s_r_t_1 = 0.0_dp
64494 s_r_t2_1 = 0.0_dp
64495 s_r_t_2 = 0.0_dp
64496 s_r_t2_2 = 0.0_dp
64497 s_r_t_3 = 0.0_dp
64498 s_r_t2_3 = 0.0_dp
64499 s_r_t_4 = 0.0_dp
64500 s_r_t2_4 = 0.0_dp
64501 s_r_t_5 = 0.0_dp
64502 s_r_t2_5 = 0.0_dp
64503 s_r_t_6 = 0.0_dp
64504 s_r_t2_6 = 0.0_dp
64505 r_tmp = r_offset + r1*zeta/(zeta + zetb)
64506 rr2_delta = -r_tmp/dr
64507
64508 rr2_l = ceiling(-r_c(2) + rr2_delta)
64509 rr2_r = floor(r_c(2) + rr2_delta)
64510
64511 r = r_tmp + (rr2_l)*dr
64512
64513 exp2_2rdr = exp(-2*alpha*r*dr)
64514 exp2_rsq = exp(-alpha*r*r)
64515
64516 DO rr2 = rr2_l, rr2_r
64517 r_pow_t = 1.0_dp
64518 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64519 r_pow_t = r_pow_t*r
64520 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64521 r_pow_t = r_pow_t*r
64522 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64523 r_pow_t = r_pow_t*r
64524 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64525 r_pow_t = r_pow_t*r
64526 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64527 r_pow_t = r_pow_t*r
64528 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64529 r_pow_t = r_pow_t*r
64530 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
64531
64532 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64533 exp2_2rdr = exp2_2rdr*exp_2drsq
64534 r = r + dr
64535 END DO
64536
64537 ! C --> H
64538 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64539 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64540 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64541 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64542 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64543 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64544 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64545 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64546 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64547 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64548 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64549 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64550 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64551 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64552 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64553 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64554 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64555 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64556 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64557 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64558 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64559 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
64560 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
64561 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
64562 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
64563 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
64564 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
64565 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
64566
64567 ! H --> HH
64568 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64569
64570 c1 = 1.0_dp/(zeta + zetb)
64571 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64572 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64573
64574 e_0_0_1 = zetb*( &
64575 +c3*e_0_0_0&
64576
64577 )
64578 e_1_0_1 = zetb*( c1*e_0_0_0 &
64579
64580
64581 )
64582 e_0_0_2 = zetb*( &
64583 +c3*e_0_0_1&
64584 +2*e_1_0_1 &
64585 -2*e_0_0_0)
64586 e_1_0_2 = zetb*( c1*e_0_0_1 &
64587 +c3*e_1_0_1&
64588
64589 )
64590 e_2_0_2 = zetb*( c1*e_1_0_1 &
64591
64592
64593 )
64594 e_0_0_3 = zetb*( &
64595 +c3*e_0_0_2&
64596 +2*e_1_0_2 &
64597 -4*e_0_0_1)
64598 e_1_0_3 = zetb*( c1*e_0_0_2 &
64599 +c3*e_1_0_2&
64600 +4*e_2_0_2 &
64601 -4*e_1_0_1)
64602 e_2_0_3 = zetb*( c1*e_1_0_2 &
64603 +c3*e_2_0_2&
64604
64605 )
64606 e_3_0_3 = zetb*( c1*e_2_0_2 &
64607
64608
64609 )
64610 e_0_0_4 = zetb*( &
64611 +c3*e_0_0_3&
64612 +2*e_1_0_3 &
64613 -6*e_0_0_2)
64614 e_1_0_4 = zetb*( c1*e_0_0_3 &
64615 +c3*e_1_0_3&
64616 +4*e_2_0_3 &
64617 -6*e_1_0_2)
64618 e_2_0_4 = zetb*( c1*e_1_0_3 &
64619 +c3*e_2_0_3&
64620 +6*e_3_0_3 &
64621 -6*e_2_0_2)
64622 e_3_0_4 = zetb*( c1*e_2_0_3 &
64623 +c3*e_3_0_3&
64624
64625 )
64626 e_4_0_4 = zetb*( c1*e_3_0_3 &
64627
64628
64629 )
64630
64631 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64632 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64633 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64634 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64635 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64636 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64637 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64638 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64639 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64640 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64641 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64642 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64643 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64644 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64645 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64646 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64647 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64648 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64649 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64650 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64651 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64652 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64653 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64654 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64655 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64656 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64657 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64658 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64659 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64660 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64661 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
64662 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
64663 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
64664 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64665 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
64666 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
64667 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64668 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64669 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
64670 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
64671 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64672 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64673 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64674 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
64675 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
64676 r1 = r1 + dr
64677 END DO
64678
64679 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64680 END SUBROUTINE
64681 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_3_exp_1 ( &
64682 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64683 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64684 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64685 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64686 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64687 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64688 r_pow_t, r_tmp, rr1_delta, rr2_delta
64689
64690 REAL(kind=dp) :: c1, c2, c3
64691 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
64692 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
64693 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64694 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64695 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
64696 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
64697 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64698 & e_2_0_4, e_3_0_4, e_4_0_4
64699
64700 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64701
64702 dr = lgth
64703 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64704
64705 s_r(:, :, :) = 0.0_dp
64706
64707 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64708
64709 h_to_c_0_0 = sqrt(alpha/pi)
64710
64711 h_to_c_0_1 = 0.0_dp
64712 h_to_c_1_1 = +2*alpha*h_to_c_0_0
64713 h_to_c_0_2 = -1*h_to_c_1_1
64714 h_to_c_1_2 = +2*alpha*h_to_c_0_1
64715 h_to_c_2_2 = +2*alpha*h_to_c_1_1
64716 h_to_c_0_3 = -1*h_to_c_1_2
64717 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64718 h_to_c_2_3 = +2*alpha*h_to_c_1_2
64719 h_to_c_3_3 = +2*alpha*h_to_c_2_2
64720 h_to_c_0_4 = -1*h_to_c_1_3
64721 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64722 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64723 h_to_c_3_4 = +2*alpha*h_to_c_2_3
64724 h_to_c_4_4 = +2*alpha*h_to_c_3_3
64725 h_to_c_0_5 = -1*h_to_c_1_4
64726 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64727 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64728 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64729 h_to_c_4_5 = +2*alpha*h_to_c_3_4
64730 h_to_c_5_5 = +2*alpha*h_to_c_4_4
64731 h_to_c_0_6 = -1*h_to_c_1_5
64732 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
64733 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
64734 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
64735 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
64736 h_to_c_5_6 = +2*alpha*h_to_c_4_5
64737 h_to_c_6_6 = +2*alpha*h_to_c_5_5
64738 h_to_c_0_7 = -1*h_to_c_1_6
64739 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
64740 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
64741 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
64742 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
64743 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
64744 h_to_c_6_7 = +2*alpha*h_to_c_5_6
64745 h_to_c_7_7 = +2*alpha*h_to_c_6_6
64746
64747 exp_drsq = exp(-alpha*dr*dr)
64748 exp_2drsq = exp_drsq*exp_drsq
64749
64750 rr1_delta = (ra - rb)/dr
64751
64752 rr1_l = ceiling(-r_c(1) + rr1_delta)
64753 rr1_r = floor(r_c(1) + rr1_delta)
64754
64755 r1 = rr1_l*dr
64756
64757 alpha_e = zeta*zetb/(zeta + zetb)
64758
64759 DO rr1 = rr1_l, rr1_r
64760 s_r_t_0 = 0.0_dp
64761 s_r_t2_0 = 0.0_dp
64762 s_r_t_1 = 0.0_dp
64763 s_r_t2_1 = 0.0_dp
64764 s_r_t_2 = 0.0_dp
64765 s_r_t2_2 = 0.0_dp
64766 s_r_t_3 = 0.0_dp
64767 s_r_t2_3 = 0.0_dp
64768 s_r_t_4 = 0.0_dp
64769 s_r_t2_4 = 0.0_dp
64770 s_r_t_5 = 0.0_dp
64771 s_r_t2_5 = 0.0_dp
64772 s_r_t_6 = 0.0_dp
64773 s_r_t2_6 = 0.0_dp
64774 s_r_t_7 = 0.0_dp
64775 s_r_t2_7 = 0.0_dp
64776 r_tmp = r_offset + r1*zeta/(zeta + zetb)
64777 rr2_delta = -r_tmp/dr
64778
64779 rr2_l = ceiling(-r_c(2) + rr2_delta)
64780 rr2_r = floor(r_c(2) + rr2_delta)
64781
64782 r = r_tmp + (rr2_l)*dr
64783
64784 exp2_2rdr = exp(-2*alpha*r*dr)
64785 exp2_rsq = exp(-alpha*r*r)
64786
64787 DO rr2 = rr2_l, rr2_r
64788 r_pow_t = 1.0_dp
64789 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64790 r_pow_t = r_pow_t*r
64791 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64792 r_pow_t = r_pow_t*r
64793 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64794 r_pow_t = r_pow_t*r
64795 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64796 r_pow_t = r_pow_t*r
64797 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64798 r_pow_t = r_pow_t*r
64799 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64800 r_pow_t = r_pow_t*r
64801 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
64802 r_pow_t = r_pow_t*r
64803 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
64804
64805 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64806 exp2_2rdr = exp2_2rdr*exp_2drsq
64807 r = r + dr
64808 END DO
64809
64810 ! C --> H
64811 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64812 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64813 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64814 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64815 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64816 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64817 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64818 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64819 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64820 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64821 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64822 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64823 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64824 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64825 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64826 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64827 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64828 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64829 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64830 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64831 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64832 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
64833 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
64834 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
64835 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
64836 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
64837 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
64838 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
64839 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
64840 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
64841 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
64842 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
64843 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
64844 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
64845 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
64846 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
64847
64848 ! H --> HH
64849 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64850
64851 c1 = 1.0_dp/(zeta + zetb)
64852 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64853 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64854
64855 e_0_0_1 = zetb*( &
64856 +c3*e_0_0_0&
64857
64858 )
64859 e_1_0_1 = zetb*( c1*e_0_0_0 &
64860
64861
64862 )
64863 e_0_0_2 = zetb*( &
64864 +c3*e_0_0_1&
64865 +2*e_1_0_1 &
64866 -2*e_0_0_0)
64867 e_1_0_2 = zetb*( c1*e_0_0_1 &
64868 +c3*e_1_0_1&
64869
64870 )
64871 e_2_0_2 = zetb*( c1*e_1_0_1 &
64872
64873
64874 )
64875 e_0_0_3 = zetb*( &
64876 +c3*e_0_0_2&
64877 +2*e_1_0_2 &
64878 -4*e_0_0_1)
64879 e_1_0_3 = zetb*( c1*e_0_0_2 &
64880 +c3*e_1_0_2&
64881 +4*e_2_0_2 &
64882 -4*e_1_0_1)
64883 e_2_0_3 = zetb*( c1*e_1_0_2 &
64884 +c3*e_2_0_2&
64885
64886 )
64887 e_3_0_3 = zetb*( c1*e_2_0_2 &
64888
64889
64890 )
64891 e_0_0_4 = zetb*( &
64892 +c3*e_0_0_3&
64893 +2*e_1_0_3 &
64894 -6*e_0_0_2)
64895 e_1_0_4 = zetb*( c1*e_0_0_3 &
64896 +c3*e_1_0_3&
64897 +4*e_2_0_3 &
64898 -6*e_1_0_2)
64899 e_2_0_4 = zetb*( c1*e_1_0_3 &
64900 +c3*e_2_0_3&
64901 +6*e_3_0_3 &
64902 -6*e_2_0_2)
64903 e_3_0_4 = zetb*( c1*e_2_0_3 &
64904 +c3*e_3_0_3&
64905
64906 )
64907 e_4_0_4 = zetb*( c1*e_3_0_3 &
64908
64909
64910 )
64911
64912 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64913 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64914 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64915 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64916 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64917 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64918 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64919 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64920 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64921 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64922 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64923 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64924 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64925 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64926 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64927 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64928 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64929 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64930 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64931 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64932 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64933 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64934 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64935 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64936 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64937 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64938 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64939 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64940 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64941 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64942 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
64943 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
64944 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
64945 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64946 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
64947 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
64948 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64949 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64950 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
64951 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
64952 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64953 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64954 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64955 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
64956 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
64957 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
64958 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
64959 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
64960 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64961 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
64962 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
64963 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64964 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64965 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
64966 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
64967 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64968 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64969 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64970 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
64971 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
64972 r1 = r1 + dr
64973 END DO
64974
64975 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64976 END SUBROUTINE
64977 PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_4_exp_1 ( &
64978 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64979 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64980 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64981 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64982 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64983 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64984 r_pow_t, r_tmp, rr1_delta, rr2_delta
64985
64986 REAL(kind=dp) :: c1, c2, c3
64987 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
64988 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
64989 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64990 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64991 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
64992 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
64993 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
64994 REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64995 & e_2_0_4, e_3_0_4, e_4_0_4
64996
64997 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64998
64999 dr = lgth
65000 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65001
65002 s_r(:, :, :) = 0.0_dp
65003
65004 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65005
65006 h_to_c_0_0 = sqrt(alpha/pi)
65007
65008 h_to_c_0_1 = 0.0_dp
65009 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65010 h_to_c_0_2 = -1*h_to_c_1_1
65011 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65012 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65013 h_to_c_0_3 = -1*h_to_c_1_2
65014 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65015 h_to_c_2_3 = +2*alpha*h_to_c_1_2
65016 h_to_c_3_3 = +2*alpha*h_to_c_2_2
65017 h_to_c_0_4 = -1*h_to_c_1_3
65018 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65019 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65020 h_to_c_3_4 = +2*alpha*h_to_c_2_3
65021 h_to_c_4_4 = +2*alpha*h_to_c_3_3
65022 h_to_c_0_5 = -1*h_to_c_1_4
65023 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
65024 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
65025 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
65026 h_to_c_4_5 = +2*alpha*h_to_c_3_4
65027 h_to_c_5_5 = +2*alpha*h_to_c_4_4
65028 h_to_c_0_6 = -1*h_to_c_1_5
65029 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
65030 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
65031 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
65032 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
65033 h_to_c_5_6 = +2*alpha*h_to_c_4_5
65034 h_to_c_6_6 = +2*alpha*h_to_c_5_5
65035 h_to_c_0_7 = -1*h_to_c_1_6
65036 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
65037 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
65038 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
65039 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
65040 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
65041 h_to_c_6_7 = +2*alpha*h_to_c_5_6
65042 h_to_c_7_7 = +2*alpha*h_to_c_6_6
65043 h_to_c_0_8 = -1*h_to_c_1_7
65044 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
65045 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
65046 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
65047 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
65048 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
65049 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
65050 h_to_c_7_8 = +2*alpha*h_to_c_6_7
65051 h_to_c_8_8 = +2*alpha*h_to_c_7_7
65052
65053 exp_drsq = exp(-alpha*dr*dr)
65054 exp_2drsq = exp_drsq*exp_drsq
65055
65056 rr1_delta = (ra - rb)/dr
65057
65058 rr1_l = ceiling(-r_c(1) + rr1_delta)
65059 rr1_r = floor(r_c(1) + rr1_delta)
65060
65061 r1 = rr1_l*dr
65062
65063 alpha_e = zeta*zetb/(zeta + zetb)
65064
65065 DO rr1 = rr1_l, rr1_r
65066 s_r_t_0 = 0.0_dp
65067 s_r_t2_0 = 0.0_dp
65068 s_r_t_1 = 0.0_dp
65069 s_r_t2_1 = 0.0_dp
65070 s_r_t_2 = 0.0_dp
65071 s_r_t2_2 = 0.0_dp
65072 s_r_t_3 = 0.0_dp
65073 s_r_t2_3 = 0.0_dp
65074 s_r_t_4 = 0.0_dp
65075 s_r_t2_4 = 0.0_dp
65076 s_r_t_5 = 0.0_dp
65077 s_r_t2_5 = 0.0_dp
65078 s_r_t_6 = 0.0_dp
65079 s_r_t2_6 = 0.0_dp
65080 s_r_t_7 = 0.0_dp
65081 s_r_t2_7 = 0.0_dp
65082 s_r_t_8 = 0.0_dp
65083 s_r_t2_8 = 0.0_dp
65084 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65085 rr2_delta = -r_tmp/dr
65086
65087 rr2_l = ceiling(-r_c(2) + rr2_delta)
65088 rr2_r = floor(r_c(2) + rr2_delta)
65089
65090 r = r_tmp + (rr2_l)*dr
65091
65092 exp2_2rdr = exp(-2*alpha*r*dr)
65093 exp2_rsq = exp(-alpha*r*r)
65094
65095 DO rr2 = rr2_l, rr2_r
65096 r_pow_t = 1.0_dp
65097 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65098 r_pow_t = r_pow_t*r
65099 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65100 r_pow_t = r_pow_t*r
65101 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65102 r_pow_t = r_pow_t*r
65103 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65104 r_pow_t = r_pow_t*r
65105 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65106 r_pow_t = r_pow_t*r
65107 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
65108 r_pow_t = r_pow_t*r
65109 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
65110 r_pow_t = r_pow_t*r
65111 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
65112 r_pow_t = r_pow_t*r
65113 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
65114
65115 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65116 exp2_2rdr = exp2_2rdr*exp_2drsq
65117 r = r + dr
65118 END DO
65119
65120 ! C --> H
65121 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65122 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65123 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65124 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65125 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65126 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65127 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65128 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65129 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65130 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65131 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65132 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65133 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65134 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65135 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65136 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
65137 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
65138 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
65139 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
65140 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
65141 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
65142 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
65143 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
65144 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
65145 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
65146 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
65147 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
65148 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
65149 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
65150 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
65151 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
65152 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
65153 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
65154 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
65155 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
65156 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
65157 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
65158 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
65159 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
65160 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
65161 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
65162 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
65163 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
65164 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
65165 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
65166
65167 ! H --> HH
65168 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65169
65170 c1 = 1.0_dp/(zeta + zetb)
65171 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65172 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65173
65174 e_0_0_1 = zetb*( &
65175 +c3*e_0_0_0&
65176
65177 )
65178 e_1_0_1 = zetb*( c1*e_0_0_0 &
65179
65180
65181 )
65182 e_0_0_2 = zetb*( &
65183 +c3*e_0_0_1&
65184 +2*e_1_0_1 &
65185 -2*e_0_0_0)
65186 e_1_0_2 = zetb*( c1*e_0_0_1 &
65187 +c3*e_1_0_1&
65188
65189 )
65190 e_2_0_2 = zetb*( c1*e_1_0_1 &
65191
65192
65193 )
65194 e_0_0_3 = zetb*( &
65195 +c3*e_0_0_2&
65196 +2*e_1_0_2 &
65197 -4*e_0_0_1)
65198 e_1_0_3 = zetb*( c1*e_0_0_2 &
65199 +c3*e_1_0_2&
65200 +4*e_2_0_2 &
65201 -4*e_1_0_1)
65202 e_2_0_3 = zetb*( c1*e_1_0_2 &
65203 +c3*e_2_0_2&
65204
65205 )
65206 e_3_0_3 = zetb*( c1*e_2_0_2 &
65207
65208
65209 )
65210 e_0_0_4 = zetb*( &
65211 +c3*e_0_0_3&
65212 +2*e_1_0_3 &
65213 -6*e_0_0_2)
65214 e_1_0_4 = zetb*( c1*e_0_0_3 &
65215 +c3*e_1_0_3&
65216 +4*e_2_0_3 &
65217 -6*e_1_0_2)
65218 e_2_0_4 = zetb*( c1*e_1_0_3 &
65219 +c3*e_2_0_3&
65220 +6*e_3_0_3 &
65221 -6*e_2_0_2)
65222 e_3_0_4 = zetb*( c1*e_2_0_3 &
65223 +c3*e_3_0_3&
65224
65225 )
65226 e_4_0_4 = zetb*( c1*e_3_0_3 &
65227
65228
65229 )
65230
65231 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65232 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
65233 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
65234 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
65235 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
65236 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
65237 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
65238 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
65239 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
65240 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
65241 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
65242 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
65243 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
65244 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
65245 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65246 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65247 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
65248 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
65249 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
65250 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
65251 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
65252 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
65253 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
65254 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
65255 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
65256 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
65257 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
65258 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
65259 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
65260 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
65261 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65262 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
65263 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
65264 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
65265 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
65266 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
65267 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
65268 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
65269 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
65270 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
65271 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
65272 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
65273 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65274 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
65275 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
65276 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65277 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
65278 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
65279 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
65280 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
65281 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
65282 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
65283 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
65284 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
65285 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
65286 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
65287 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
65288 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
65289 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
65290 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
65291 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
65292 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
65293 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
65294 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
65295 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
65296 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
65297 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
65298 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
65299 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
65300 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
65301 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65302 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
65303 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
65304 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
65305 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
65306 r1 = r1 + dr
65307 END DO
65308
65309 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65310 END SUBROUTINE
65311 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_0_exp_1 ( &
65312 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65313 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65314 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65315 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65316 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65317 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65318 r_pow_t, r_tmp, rr1_delta, rr2_delta
65319
65320 REAL(kind=dp) :: c1, c2, c3
65321 REAL(kind=dp) :: s_r_t_0, s_r_t_1
65322 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
65323 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
65324 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65325
65326 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65327
65328 dr = lgth
65329 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65330
65331 s_r(:, :, :) = 0.0_dp
65332
65333 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65334
65335 h_to_c_0_0 = sqrt(alpha/pi)
65336
65337 h_to_c_0_1 = 0.0_dp
65338 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65339
65340 exp_drsq = exp(-alpha*dr*dr)
65341 exp_2drsq = exp_drsq*exp_drsq
65342
65343 rr1_delta = (ra - rb)/dr
65344
65345 rr1_l = ceiling(-r_c(1) + rr1_delta)
65346 rr1_r = floor(r_c(1) + rr1_delta)
65347
65348 r1 = rr1_l*dr
65349
65350 alpha_e = zeta*zetb/(zeta + zetb)
65351
65352 DO rr1 = rr1_l, rr1_r
65353 s_r_t_0 = 0.0_dp
65354 s_r_t2_0 = 0.0_dp
65355 s_r_t_1 = 0.0_dp
65356 s_r_t2_1 = 0.0_dp
65357 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65358 rr2_delta = -r_tmp/dr
65359
65360 rr2_l = ceiling(-r_c(2) + rr2_delta)
65361 rr2_r = floor(r_c(2) + rr2_delta)
65362
65363 r = r_tmp + (rr2_l)*dr
65364
65365 exp2_2rdr = exp(-2*alpha*r*dr)
65366 exp2_rsq = exp(-alpha*r*r)
65367
65368 DO rr2 = rr2_l, rr2_r
65369 r_pow_t = 1.0_dp
65370 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65371 r_pow_t = r_pow_t*r
65372 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65373
65374 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65375 exp2_2rdr = exp2_2rdr*exp_2drsq
65376 r = r + dr
65377 END DO
65378
65379 ! C --> H
65380 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65381 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65382 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65383
65384 ! H --> HH
65385 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65386
65387 c1 = 1.0_dp/(zeta + zetb)
65388 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65389 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65390
65391 e_0_1_0 = zeta*( &
65392 +c2*e_0_0_0&
65393
65394 )
65395 e_1_1_0 = zeta*( c1*e_0_0_0 &
65396
65397
65398 )
65399
65400 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65401 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65402 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65403 r1 = r1 + dr
65404 END DO
65405
65406 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65407 END SUBROUTINE
65408 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_1_exp_1 ( &
65409 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65410 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65411 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65412 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65413 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65414 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65415 r_pow_t, r_tmp, rr1_delta, rr2_delta
65416
65417 REAL(kind=dp) :: c1, c2, c3
65418 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
65419 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
65420 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
65421 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65422
65423 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65424
65425 dr = lgth
65426 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65427
65428 s_r(:, :, :) = 0.0_dp
65429
65430 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65431
65432 h_to_c_0_0 = sqrt(alpha/pi)
65433
65434 h_to_c_0_1 = 0.0_dp
65435 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65436 h_to_c_0_2 = -1*h_to_c_1_1
65437 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65438 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65439
65440 exp_drsq = exp(-alpha*dr*dr)
65441 exp_2drsq = exp_drsq*exp_drsq
65442
65443 rr1_delta = (ra - rb)/dr
65444
65445 rr1_l = ceiling(-r_c(1) + rr1_delta)
65446 rr1_r = floor(r_c(1) + rr1_delta)
65447
65448 r1 = rr1_l*dr
65449
65450 alpha_e = zeta*zetb/(zeta + zetb)
65451
65452 DO rr1 = rr1_l, rr1_r
65453 s_r_t_0 = 0.0_dp
65454 s_r_t2_0 = 0.0_dp
65455 s_r_t_1 = 0.0_dp
65456 s_r_t2_1 = 0.0_dp
65457 s_r_t_2 = 0.0_dp
65458 s_r_t2_2 = 0.0_dp
65459 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65460 rr2_delta = -r_tmp/dr
65461
65462 rr2_l = ceiling(-r_c(2) + rr2_delta)
65463 rr2_r = floor(r_c(2) + rr2_delta)
65464
65465 r = r_tmp + (rr2_l)*dr
65466
65467 exp2_2rdr = exp(-2*alpha*r*dr)
65468 exp2_rsq = exp(-alpha*r*r)
65469
65470 DO rr2 = rr2_l, rr2_r
65471 r_pow_t = 1.0_dp
65472 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65473 r_pow_t = r_pow_t*r
65474 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65475 r_pow_t = r_pow_t*r
65476 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65477
65478 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65479 exp2_2rdr = exp2_2rdr*exp_2drsq
65480 r = r + dr
65481 END DO
65482
65483 ! C --> H
65484 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65485 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65486 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65487 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65488 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65489 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65490
65491 ! H --> HH
65492 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65493
65494 c1 = 1.0_dp/(zeta + zetb)
65495 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65496 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65497
65498 e_0_1_0 = zeta*( &
65499 +c2*e_0_0_0&
65500
65501 )
65502 e_1_1_0 = zeta*( c1*e_0_0_0 &
65503
65504
65505 )
65506
65507 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65508 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65509 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65510 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65511 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65512 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65513 r1 = r1 + dr
65514 END DO
65515
65516 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65517 END SUBROUTINE
65518 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_2_exp_1 ( &
65519 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65520 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65521 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65522 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65523 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65524 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65525 r_pow_t, r_tmp, rr1_delta, rr2_delta
65526
65527 REAL(kind=dp) :: c1, c2, c3
65528 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
65529 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
65530 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65531 & h_to_c_3_3
65532 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65533
65534 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65535
65536 dr = lgth
65537 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65538
65539 s_r(:, :, :) = 0.0_dp
65540
65541 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65542
65543 h_to_c_0_0 = sqrt(alpha/pi)
65544
65545 h_to_c_0_1 = 0.0_dp
65546 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65547 h_to_c_0_2 = -1*h_to_c_1_1
65548 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65549 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65550 h_to_c_0_3 = -1*h_to_c_1_2
65551 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65552 h_to_c_2_3 = +2*alpha*h_to_c_1_2
65553 h_to_c_3_3 = +2*alpha*h_to_c_2_2
65554
65555 exp_drsq = exp(-alpha*dr*dr)
65556 exp_2drsq = exp_drsq*exp_drsq
65557
65558 rr1_delta = (ra - rb)/dr
65559
65560 rr1_l = ceiling(-r_c(1) + rr1_delta)
65561 rr1_r = floor(r_c(1) + rr1_delta)
65562
65563 r1 = rr1_l*dr
65564
65565 alpha_e = zeta*zetb/(zeta + zetb)
65566
65567 DO rr1 = rr1_l, rr1_r
65568 s_r_t_0 = 0.0_dp
65569 s_r_t2_0 = 0.0_dp
65570 s_r_t_1 = 0.0_dp
65571 s_r_t2_1 = 0.0_dp
65572 s_r_t_2 = 0.0_dp
65573 s_r_t2_2 = 0.0_dp
65574 s_r_t_3 = 0.0_dp
65575 s_r_t2_3 = 0.0_dp
65576 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65577 rr2_delta = -r_tmp/dr
65578
65579 rr2_l = ceiling(-r_c(2) + rr2_delta)
65580 rr2_r = floor(r_c(2) + rr2_delta)
65581
65582 r = r_tmp + (rr2_l)*dr
65583
65584 exp2_2rdr = exp(-2*alpha*r*dr)
65585 exp2_rsq = exp(-alpha*r*r)
65586
65587 DO rr2 = rr2_l, rr2_r
65588 r_pow_t = 1.0_dp
65589 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65590 r_pow_t = r_pow_t*r
65591 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65592 r_pow_t = r_pow_t*r
65593 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65594 r_pow_t = r_pow_t*r
65595 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65596
65597 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65598 exp2_2rdr = exp2_2rdr*exp_2drsq
65599 r = r + dr
65600 END DO
65601
65602 ! C --> H
65603 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65604 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65605 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65606 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65607 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65608 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65609 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65610 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65611 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65612 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65613
65614 ! H --> HH
65615 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65616
65617 c1 = 1.0_dp/(zeta + zetb)
65618 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65619 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65620
65621 e_0_1_0 = zeta*( &
65622 +c2*e_0_0_0&
65623
65624 )
65625 e_1_1_0 = zeta*( c1*e_0_0_0 &
65626
65627
65628 )
65629
65630 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65631 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65632 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65633 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65634 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65635 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65636 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65637 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65638 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65639 r1 = r1 + dr
65640 END DO
65641
65642 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65643 END SUBROUTINE
65644 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_3_exp_1 ( &
65645 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65646 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65647 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65648 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65649 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65650 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65651 r_pow_t, r_tmp, rr1_delta, rr2_delta
65652
65653 REAL(kind=dp) :: c1, c2, c3
65654 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
65655 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
65656 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65657 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
65658 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65659
65660 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65661
65662 dr = lgth
65663 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65664
65665 s_r(:, :, :) = 0.0_dp
65666
65667 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65668
65669 h_to_c_0_0 = sqrt(alpha/pi)
65670
65671 h_to_c_0_1 = 0.0_dp
65672 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65673 h_to_c_0_2 = -1*h_to_c_1_1
65674 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65675 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65676 h_to_c_0_3 = -1*h_to_c_1_2
65677 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65678 h_to_c_2_3 = +2*alpha*h_to_c_1_2
65679 h_to_c_3_3 = +2*alpha*h_to_c_2_2
65680 h_to_c_0_4 = -1*h_to_c_1_3
65681 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65682 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65683 h_to_c_3_4 = +2*alpha*h_to_c_2_3
65684 h_to_c_4_4 = +2*alpha*h_to_c_3_3
65685
65686 exp_drsq = exp(-alpha*dr*dr)
65687 exp_2drsq = exp_drsq*exp_drsq
65688
65689 rr1_delta = (ra - rb)/dr
65690
65691 rr1_l = ceiling(-r_c(1) + rr1_delta)
65692 rr1_r = floor(r_c(1) + rr1_delta)
65693
65694 r1 = rr1_l*dr
65695
65696 alpha_e = zeta*zetb/(zeta + zetb)
65697
65698 DO rr1 = rr1_l, rr1_r
65699 s_r_t_0 = 0.0_dp
65700 s_r_t2_0 = 0.0_dp
65701 s_r_t_1 = 0.0_dp
65702 s_r_t2_1 = 0.0_dp
65703 s_r_t_2 = 0.0_dp
65704 s_r_t2_2 = 0.0_dp
65705 s_r_t_3 = 0.0_dp
65706 s_r_t2_3 = 0.0_dp
65707 s_r_t_4 = 0.0_dp
65708 s_r_t2_4 = 0.0_dp
65709 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65710 rr2_delta = -r_tmp/dr
65711
65712 rr2_l = ceiling(-r_c(2) + rr2_delta)
65713 rr2_r = floor(r_c(2) + rr2_delta)
65714
65715 r = r_tmp + (rr2_l)*dr
65716
65717 exp2_2rdr = exp(-2*alpha*r*dr)
65718 exp2_rsq = exp(-alpha*r*r)
65719
65720 DO rr2 = rr2_l, rr2_r
65721 r_pow_t = 1.0_dp
65722 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65723 r_pow_t = r_pow_t*r
65724 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65725 r_pow_t = r_pow_t*r
65726 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65727 r_pow_t = r_pow_t*r
65728 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65729 r_pow_t = r_pow_t*r
65730 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65731
65732 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65733 exp2_2rdr = exp2_2rdr*exp_2drsq
65734 r = r + dr
65735 END DO
65736
65737 ! C --> H
65738 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65739 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65740 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65741 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65742 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65743 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65744 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65745 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65746 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65747 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65748 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65749 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65750 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65751 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65752 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65753
65754 ! H --> HH
65755 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65756
65757 c1 = 1.0_dp/(zeta + zetb)
65758 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65759 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65760
65761 e_0_1_0 = zeta*( &
65762 +c2*e_0_0_0&
65763
65764 )
65765 e_1_1_0 = zeta*( c1*e_0_0_0 &
65766
65767
65768 )
65769
65770 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65771 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65772 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65773 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65774 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65775 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65776 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65777 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65778 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65779 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65780 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
65781 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
65782 r1 = r1 + dr
65783 END DO
65784
65785 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65786 END SUBROUTINE
65787 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_4_exp_1 ( &
65788 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65789 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65790 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65791 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65792 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65793 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65794 r_pow_t, r_tmp, rr1_delta, rr2_delta
65795
65796 REAL(kind=dp) :: c1, c2, c3
65797 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
65798 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
65799 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65800 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
65801 & h_to_c_4_5, h_to_c_5_5
65802 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65803
65804 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65805
65806 dr = lgth
65807 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65808
65809 s_r(:, :, :) = 0.0_dp
65810
65811 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65812
65813 h_to_c_0_0 = sqrt(alpha/pi)
65814
65815 h_to_c_0_1 = 0.0_dp
65816 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65817 h_to_c_0_2 = -1*h_to_c_1_1
65818 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65819 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65820 h_to_c_0_3 = -1*h_to_c_1_2
65821 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65822 h_to_c_2_3 = +2*alpha*h_to_c_1_2
65823 h_to_c_3_3 = +2*alpha*h_to_c_2_2
65824 h_to_c_0_4 = -1*h_to_c_1_3
65825 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65826 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65827 h_to_c_3_4 = +2*alpha*h_to_c_2_3
65828 h_to_c_4_4 = +2*alpha*h_to_c_3_3
65829 h_to_c_0_5 = -1*h_to_c_1_4
65830 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
65831 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
65832 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
65833 h_to_c_4_5 = +2*alpha*h_to_c_3_4
65834 h_to_c_5_5 = +2*alpha*h_to_c_4_4
65835
65836 exp_drsq = exp(-alpha*dr*dr)
65837 exp_2drsq = exp_drsq*exp_drsq
65838
65839 rr1_delta = (ra - rb)/dr
65840
65841 rr1_l = ceiling(-r_c(1) + rr1_delta)
65842 rr1_r = floor(r_c(1) + rr1_delta)
65843
65844 r1 = rr1_l*dr
65845
65846 alpha_e = zeta*zetb/(zeta + zetb)
65847
65848 DO rr1 = rr1_l, rr1_r
65849 s_r_t_0 = 0.0_dp
65850 s_r_t2_0 = 0.0_dp
65851 s_r_t_1 = 0.0_dp
65852 s_r_t2_1 = 0.0_dp
65853 s_r_t_2 = 0.0_dp
65854 s_r_t2_2 = 0.0_dp
65855 s_r_t_3 = 0.0_dp
65856 s_r_t2_3 = 0.0_dp
65857 s_r_t_4 = 0.0_dp
65858 s_r_t2_4 = 0.0_dp
65859 s_r_t_5 = 0.0_dp
65860 s_r_t2_5 = 0.0_dp
65861 r_tmp = r_offset + r1*zeta/(zeta + zetb)
65862 rr2_delta = -r_tmp/dr
65863
65864 rr2_l = ceiling(-r_c(2) + rr2_delta)
65865 rr2_r = floor(r_c(2) + rr2_delta)
65866
65867 r = r_tmp + (rr2_l)*dr
65868
65869 exp2_2rdr = exp(-2*alpha*r*dr)
65870 exp2_rsq = exp(-alpha*r*r)
65871
65872 DO rr2 = rr2_l, rr2_r
65873 r_pow_t = 1.0_dp
65874 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65875 r_pow_t = r_pow_t*r
65876 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65877 r_pow_t = r_pow_t*r
65878 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65879 r_pow_t = r_pow_t*r
65880 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65881 r_pow_t = r_pow_t*r
65882 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65883 r_pow_t = r_pow_t*r
65884 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
65885
65886 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65887 exp2_2rdr = exp2_2rdr*exp_2drsq
65888 r = r + dr
65889 END DO
65890
65891 ! C --> H
65892 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65893 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65894 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65895 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65896 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65897 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65898 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65899 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65900 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65901 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65902 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65903 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65904 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65905 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65906 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65907 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
65908 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
65909 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
65910 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
65911 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
65912 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
65913
65914 ! H --> HH
65915 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65916
65917 c1 = 1.0_dp/(zeta + zetb)
65918 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65919 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65920
65921 e_0_1_0 = zeta*( &
65922 +c2*e_0_0_0&
65923
65924 )
65925 e_1_1_0 = zeta*( c1*e_0_0_0 &
65926
65927
65928 )
65929
65930 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65931 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65932 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65933 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65934 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65935 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65936 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65937 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65938 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65939 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65940 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
65941 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
65942 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
65943 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
65944 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
65945 r1 = r1 + dr
65946 END DO
65947
65948 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65949 END SUBROUTINE
65950 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_0_exp_1 ( &
65951 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65952 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65953 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65954 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65955 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65956 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65957 r_pow_t, r_tmp, rr1_delta, rr2_delta
65958
65959 REAL(kind=dp) :: c1, c2, c3
65960 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
65961 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
65962 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
65963 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
65964
65965 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65966
65967 dr = lgth
65968 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65969
65970 s_r(:, :, :) = 0.0_dp
65971
65972 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65973
65974 h_to_c_0_0 = sqrt(alpha/pi)
65975
65976 h_to_c_0_1 = 0.0_dp
65977 h_to_c_1_1 = +2*alpha*h_to_c_0_0
65978 h_to_c_0_2 = -1*h_to_c_1_1
65979 h_to_c_1_2 = +2*alpha*h_to_c_0_1
65980 h_to_c_2_2 = +2*alpha*h_to_c_1_1
65981
65982 exp_drsq = exp(-alpha*dr*dr)
65983 exp_2drsq = exp_drsq*exp_drsq
65984
65985 rr1_delta = (ra - rb)/dr
65986
65987 rr1_l = ceiling(-r_c(1) + rr1_delta)
65988 rr1_r = floor(r_c(1) + rr1_delta)
65989
65990 r1 = rr1_l*dr
65991
65992 alpha_e = zeta*zetb/(zeta + zetb)
65993
65994 DO rr1 = rr1_l, rr1_r
65995 s_r_t_0 = 0.0_dp
65996 s_r_t2_0 = 0.0_dp
65997 s_r_t_1 = 0.0_dp
65998 s_r_t2_1 = 0.0_dp
65999 s_r_t_2 = 0.0_dp
66000 s_r_t2_2 = 0.0_dp
66001 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66002 rr2_delta = -r_tmp/dr
66003
66004 rr2_l = ceiling(-r_c(2) + rr2_delta)
66005 rr2_r = floor(r_c(2) + rr2_delta)
66006
66007 r = r_tmp + (rr2_l)*dr
66008
66009 exp2_2rdr = exp(-2*alpha*r*dr)
66010 exp2_rsq = exp(-alpha*r*r)
66011
66012 DO rr2 = rr2_l, rr2_r
66013 r_pow_t = 1.0_dp
66014 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66015 r_pow_t = r_pow_t*r
66016 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66017 r_pow_t = r_pow_t*r
66018 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66019
66020 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66021 exp2_2rdr = exp2_2rdr*exp_2drsq
66022 r = r + dr
66023 END DO
66024
66025 ! C --> H
66026 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66027 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66028 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66029 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66030 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66031 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66032
66033 ! H --> HH
66034 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66035
66036 c1 = 1.0_dp/(zeta + zetb)
66037 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66038 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66039
66040 e_0_1_0 = zeta*( &
66041 +c2*e_0_0_0&
66042
66043 )
66044 e_0_0_1 = zetb*( &
66045 +c3*e_0_0_0&
66046
66047 )
66048 e_1_1_0 = zeta*( c1*e_0_0_0 &
66049
66050
66051 )
66052 e_1_0_1 = zetb*( c1*e_0_0_0 &
66053
66054
66055 )
66056 e_0_1_1 = zetb*( &
66057 +c3*e_0_1_0&
66058 +2*e_1_1_0 &
66059 )
66060 e_1_1_1 = zetb*( c1*e_0_1_0 &
66061 +c3*e_1_1_0&
66062
66063 )
66064 e_2_1_1 = zetb*( c1*e_1_1_0 &
66065
66066
66067 )
66068 e_0_1_1 = zeta*( &
66069 +c2*e_0_0_1&
66070 +2*e_1_0_1 &
66071 )
66072 e_1_1_1 = zeta*( c1*e_0_0_1 &
66073 +c2*e_1_0_1&
66074
66075 )
66076 e_2_1_1 = zeta*( c1*e_1_0_1 &
66077
66078
66079 )
66080
66081 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66082 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66083 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66084 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66085 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66086 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66087 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66088 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66089 r1 = r1 + dr
66090 END DO
66091
66092 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66093 END SUBROUTINE
66094 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_1_exp_1 ( &
66095 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66096 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66097 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66098 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66099 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66100 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66101 r_pow_t, r_tmp, rr1_delta, rr2_delta
66102
66103 REAL(kind=dp) :: c1, c2, c3
66104 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
66105 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
66106 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66107 & h_to_c_3_3
66108 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66109
66110 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66111
66112 dr = lgth
66113 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66114
66115 s_r(:, :, :) = 0.0_dp
66116
66117 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66118
66119 h_to_c_0_0 = sqrt(alpha/pi)
66120
66121 h_to_c_0_1 = 0.0_dp
66122 h_to_c_1_1 = +2*alpha*h_to_c_0_0
66123 h_to_c_0_2 = -1*h_to_c_1_1
66124 h_to_c_1_2 = +2*alpha*h_to_c_0_1
66125 h_to_c_2_2 = +2*alpha*h_to_c_1_1
66126 h_to_c_0_3 = -1*h_to_c_1_2
66127 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66128 h_to_c_2_3 = +2*alpha*h_to_c_1_2
66129 h_to_c_3_3 = +2*alpha*h_to_c_2_2
66130
66131 exp_drsq = exp(-alpha*dr*dr)
66132 exp_2drsq = exp_drsq*exp_drsq
66133
66134 rr1_delta = (ra - rb)/dr
66135
66136 rr1_l = ceiling(-r_c(1) + rr1_delta)
66137 rr1_r = floor(r_c(1) + rr1_delta)
66138
66139 r1 = rr1_l*dr
66140
66141 alpha_e = zeta*zetb/(zeta + zetb)
66142
66143 DO rr1 = rr1_l, rr1_r
66144 s_r_t_0 = 0.0_dp
66145 s_r_t2_0 = 0.0_dp
66146 s_r_t_1 = 0.0_dp
66147 s_r_t2_1 = 0.0_dp
66148 s_r_t_2 = 0.0_dp
66149 s_r_t2_2 = 0.0_dp
66150 s_r_t_3 = 0.0_dp
66151 s_r_t2_3 = 0.0_dp
66152 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66153 rr2_delta = -r_tmp/dr
66154
66155 rr2_l = ceiling(-r_c(2) + rr2_delta)
66156 rr2_r = floor(r_c(2) + rr2_delta)
66157
66158 r = r_tmp + (rr2_l)*dr
66159
66160 exp2_2rdr = exp(-2*alpha*r*dr)
66161 exp2_rsq = exp(-alpha*r*r)
66162
66163 DO rr2 = rr2_l, rr2_r
66164 r_pow_t = 1.0_dp
66165 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66166 r_pow_t = r_pow_t*r
66167 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66168 r_pow_t = r_pow_t*r
66169 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66170 r_pow_t = r_pow_t*r
66171 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66172
66173 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66174 exp2_2rdr = exp2_2rdr*exp_2drsq
66175 r = r + dr
66176 END DO
66177
66178 ! C --> H
66179 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66180 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66181 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66182 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66183 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66184 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66185 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66186 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66187 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66188 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66189
66190 ! H --> HH
66191 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66192
66193 c1 = 1.0_dp/(zeta + zetb)
66194 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66195 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66196
66197 e_0_1_0 = zeta*( &
66198 +c2*e_0_0_0&
66199
66200 )
66201 e_0_0_1 = zetb*( &
66202 +c3*e_0_0_0&
66203
66204 )
66205 e_1_1_0 = zeta*( c1*e_0_0_0 &
66206
66207
66208 )
66209 e_1_0_1 = zetb*( c1*e_0_0_0 &
66210
66211
66212 )
66213 e_0_1_1 = zetb*( &
66214 +c3*e_0_1_0&
66215 +2*e_1_1_0 &
66216 )
66217 e_1_1_1 = zetb*( c1*e_0_1_0 &
66218 +c3*e_1_1_0&
66219
66220 )
66221 e_2_1_1 = zetb*( c1*e_1_1_0 &
66222
66223
66224 )
66225 e_0_1_1 = zeta*( &
66226 +c2*e_0_0_1&
66227 +2*e_1_0_1 &
66228 )
66229 e_1_1_1 = zeta*( c1*e_0_0_1 &
66230 +c2*e_1_0_1&
66231
66232 )
66233 e_2_1_1 = zeta*( c1*e_1_0_1 &
66234
66235
66236 )
66237
66238 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66239 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66240 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66241 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66242 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66243 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66244 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66245 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66246 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66247 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66248 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66249 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66250 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66251 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66252 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66253 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66254 r1 = r1 + dr
66255 END DO
66256
66257 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66258 END SUBROUTINE
66259 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_2_exp_1 ( &
66260 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66261 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66262 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66263 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66264 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66265 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66266 r_pow_t, r_tmp, rr1_delta, rr2_delta
66267
66268 REAL(kind=dp) :: c1, c2, c3
66269 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
66270 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
66271 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66272 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
66273 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66274
66275 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66276
66277 dr = lgth
66278 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66279
66280 s_r(:, :, :) = 0.0_dp
66281
66282 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66283
66284 h_to_c_0_0 = sqrt(alpha/pi)
66285
66286 h_to_c_0_1 = 0.0_dp
66287 h_to_c_1_1 = +2*alpha*h_to_c_0_0
66288 h_to_c_0_2 = -1*h_to_c_1_1
66289 h_to_c_1_2 = +2*alpha*h_to_c_0_1
66290 h_to_c_2_2 = +2*alpha*h_to_c_1_1
66291 h_to_c_0_3 = -1*h_to_c_1_2
66292 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66293 h_to_c_2_3 = +2*alpha*h_to_c_1_2
66294 h_to_c_3_3 = +2*alpha*h_to_c_2_2
66295 h_to_c_0_4 = -1*h_to_c_1_3
66296 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66297 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66298 h_to_c_3_4 = +2*alpha*h_to_c_2_3
66299 h_to_c_4_4 = +2*alpha*h_to_c_3_3
66300
66301 exp_drsq = exp(-alpha*dr*dr)
66302 exp_2drsq = exp_drsq*exp_drsq
66303
66304 rr1_delta = (ra - rb)/dr
66305
66306 rr1_l = ceiling(-r_c(1) + rr1_delta)
66307 rr1_r = floor(r_c(1) + rr1_delta)
66308
66309 r1 = rr1_l*dr
66310
66311 alpha_e = zeta*zetb/(zeta + zetb)
66312
66313 DO rr1 = rr1_l, rr1_r
66314 s_r_t_0 = 0.0_dp
66315 s_r_t2_0 = 0.0_dp
66316 s_r_t_1 = 0.0_dp
66317 s_r_t2_1 = 0.0_dp
66318 s_r_t_2 = 0.0_dp
66319 s_r_t2_2 = 0.0_dp
66320 s_r_t_3 = 0.0_dp
66321 s_r_t2_3 = 0.0_dp
66322 s_r_t_4 = 0.0_dp
66323 s_r_t2_4 = 0.0_dp
66324 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66325 rr2_delta = -r_tmp/dr
66326
66327 rr2_l = ceiling(-r_c(2) + rr2_delta)
66328 rr2_r = floor(r_c(2) + rr2_delta)
66329
66330 r = r_tmp + (rr2_l)*dr
66331
66332 exp2_2rdr = exp(-2*alpha*r*dr)
66333 exp2_rsq = exp(-alpha*r*r)
66334
66335 DO rr2 = rr2_l, rr2_r
66336 r_pow_t = 1.0_dp
66337 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66338 r_pow_t = r_pow_t*r
66339 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66340 r_pow_t = r_pow_t*r
66341 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66342 r_pow_t = r_pow_t*r
66343 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66344 r_pow_t = r_pow_t*r
66345 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66346
66347 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66348 exp2_2rdr = exp2_2rdr*exp_2drsq
66349 r = r + dr
66350 END DO
66351
66352 ! C --> H
66353 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66354 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66355 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66356 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66357 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66358 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66359 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66360 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66361 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66362 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66363 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66364 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66365 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66366 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66367 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66368
66369 ! H --> HH
66370 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66371
66372 c1 = 1.0_dp/(zeta + zetb)
66373 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66374 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66375
66376 e_0_1_0 = zeta*( &
66377 +c2*e_0_0_0&
66378
66379 )
66380 e_0_0_1 = zetb*( &
66381 +c3*e_0_0_0&
66382
66383 )
66384 e_1_1_0 = zeta*( c1*e_0_0_0 &
66385
66386
66387 )
66388 e_1_0_1 = zetb*( c1*e_0_0_0 &
66389
66390
66391 )
66392 e_0_1_1 = zetb*( &
66393 +c3*e_0_1_0&
66394 +2*e_1_1_0 &
66395 )
66396 e_1_1_1 = zetb*( c1*e_0_1_0 &
66397 +c3*e_1_1_0&
66398
66399 )
66400 e_2_1_1 = zetb*( c1*e_1_1_0 &
66401
66402
66403 )
66404 e_0_1_1 = zeta*( &
66405 +c2*e_0_0_1&
66406 +2*e_1_0_1 &
66407 )
66408 e_1_1_1 = zeta*( c1*e_0_0_1 &
66409 +c2*e_1_0_1&
66410
66411 )
66412 e_2_1_1 = zeta*( c1*e_1_0_1 &
66413
66414
66415 )
66416
66417 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66418 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66419 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66420 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66421 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66422 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66423 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66424 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66425 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66426 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66427 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66428 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66429 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66430 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66431 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66432 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66433 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66434 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66435 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66436 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66437 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66438 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66439 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66440 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66441 r1 = r1 + dr
66442 END DO
66443
66444 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66445 END SUBROUTINE
66446 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_3_exp_1 ( &
66447 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66448 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66449 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66450 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66451 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66452 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66453 r_pow_t, r_tmp, rr1_delta, rr2_delta
66454
66455 REAL(kind=dp) :: c1, c2, c3
66456 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
66457 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
66458 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66459 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
66460 & h_to_c_4_5, h_to_c_5_5
66461 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66462
66463 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66464
66465 dr = lgth
66466 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66467
66468 s_r(:, :, :) = 0.0_dp
66469
66470 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66471
66472 h_to_c_0_0 = sqrt(alpha/pi)
66473
66474 h_to_c_0_1 = 0.0_dp
66475 h_to_c_1_1 = +2*alpha*h_to_c_0_0
66476 h_to_c_0_2 = -1*h_to_c_1_1
66477 h_to_c_1_2 = +2*alpha*h_to_c_0_1
66478 h_to_c_2_2 = +2*alpha*h_to_c_1_1
66479 h_to_c_0_3 = -1*h_to_c_1_2
66480 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66481 h_to_c_2_3 = +2*alpha*h_to_c_1_2
66482 h_to_c_3_3 = +2*alpha*h_to_c_2_2
66483 h_to_c_0_4 = -1*h_to_c_1_3
66484 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66485 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66486 h_to_c_3_4 = +2*alpha*h_to_c_2_3
66487 h_to_c_4_4 = +2*alpha*h_to_c_3_3
66488 h_to_c_0_5 = -1*h_to_c_1_4
66489 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
66490 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
66491 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
66492 h_to_c_4_5 = +2*alpha*h_to_c_3_4
66493 h_to_c_5_5 = +2*alpha*h_to_c_4_4
66494
66495 exp_drsq = exp(-alpha*dr*dr)
66496 exp_2drsq = exp_drsq*exp_drsq
66497
66498 rr1_delta = (ra - rb)/dr
66499
66500 rr1_l = ceiling(-r_c(1) + rr1_delta)
66501 rr1_r = floor(r_c(1) + rr1_delta)
66502
66503 r1 = rr1_l*dr
66504
66505 alpha_e = zeta*zetb/(zeta + zetb)
66506
66507 DO rr1 = rr1_l, rr1_r
66508 s_r_t_0 = 0.0_dp
66509 s_r_t2_0 = 0.0_dp
66510 s_r_t_1 = 0.0_dp
66511 s_r_t2_1 = 0.0_dp
66512 s_r_t_2 = 0.0_dp
66513 s_r_t2_2 = 0.0_dp
66514 s_r_t_3 = 0.0_dp
66515 s_r_t2_3 = 0.0_dp
66516 s_r_t_4 = 0.0_dp
66517 s_r_t2_4 = 0.0_dp
66518 s_r_t_5 = 0.0_dp
66519 s_r_t2_5 = 0.0_dp
66520 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66521 rr2_delta = -r_tmp/dr
66522
66523 rr2_l = ceiling(-r_c(2) + rr2_delta)
66524 rr2_r = floor(r_c(2) + rr2_delta)
66525
66526 r = r_tmp + (rr2_l)*dr
66527
66528 exp2_2rdr = exp(-2*alpha*r*dr)
66529 exp2_rsq = exp(-alpha*r*r)
66530
66531 DO rr2 = rr2_l, rr2_r
66532 r_pow_t = 1.0_dp
66533 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66534 r_pow_t = r_pow_t*r
66535 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66536 r_pow_t = r_pow_t*r
66537 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66538 r_pow_t = r_pow_t*r
66539 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66540 r_pow_t = r_pow_t*r
66541 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66542 r_pow_t = r_pow_t*r
66543 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
66544
66545 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66546 exp2_2rdr = exp2_2rdr*exp_2drsq
66547 r = r + dr
66548 END DO
66549
66550 ! C --> H
66551 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66552 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66553 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66554 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66555 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66556 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66557 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66558 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66559 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66560 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66561 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66562 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66563 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66564 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66565 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66566 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
66567 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
66568 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
66569 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
66570 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
66571 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
66572
66573 ! H --> HH
66574 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66575
66576 c1 = 1.0_dp/(zeta + zetb)
66577 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66578 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66579
66580 e_0_1_0 = zeta*( &
66581 +c2*e_0_0_0&
66582
66583 )
66584 e_0_0_1 = zetb*( &
66585 +c3*e_0_0_0&
66586
66587 )
66588 e_1_1_0 = zeta*( c1*e_0_0_0 &
66589
66590
66591 )
66592 e_1_0_1 = zetb*( c1*e_0_0_0 &
66593
66594
66595 )
66596 e_0_1_1 = zetb*( &
66597 +c3*e_0_1_0&
66598 +2*e_1_1_0 &
66599 )
66600 e_1_1_1 = zetb*( c1*e_0_1_0 &
66601 +c3*e_1_1_0&
66602
66603 )
66604 e_2_1_1 = zetb*( c1*e_1_1_0 &
66605
66606
66607 )
66608 e_0_1_1 = zeta*( &
66609 +c2*e_0_0_1&
66610 +2*e_1_0_1 &
66611 )
66612 e_1_1_1 = zeta*( c1*e_0_0_1 &
66613 +c2*e_1_0_1&
66614
66615 )
66616 e_2_1_1 = zeta*( c1*e_1_0_1 &
66617
66618
66619 )
66620
66621 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66622 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66623 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66624 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66625 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66626 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66627 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66628 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66629 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66630 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66631 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66632 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66633 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66634 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66635 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66636 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66637 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66638 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66639 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66640 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66641 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66642 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66643 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66644 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66645 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
66646 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
66647 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
66648 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
66649 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
66650 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66651 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
66652 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
66653 r1 = r1 + dr
66654 END DO
66655
66656 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66657 END SUBROUTINE
66658 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_4_exp_1 ( &
66659 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66660 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66661 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66662 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66663 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66664 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66665 r_pow_t, r_tmp, rr1_delta, rr2_delta
66666
66667 REAL(kind=dp) :: c1, c2, c3
66668 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
66669 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
66670 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66671 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
66672 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
66673 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66674
66675 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66676
66677 dr = lgth
66678 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66679
66680 s_r(:, :, :) = 0.0_dp
66681
66682 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66683
66684 h_to_c_0_0 = sqrt(alpha/pi)
66685
66686 h_to_c_0_1 = 0.0_dp
66687 h_to_c_1_1 = +2*alpha*h_to_c_0_0
66688 h_to_c_0_2 = -1*h_to_c_1_1
66689 h_to_c_1_2 = +2*alpha*h_to_c_0_1
66690 h_to_c_2_2 = +2*alpha*h_to_c_1_1
66691 h_to_c_0_3 = -1*h_to_c_1_2
66692 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66693 h_to_c_2_3 = +2*alpha*h_to_c_1_2
66694 h_to_c_3_3 = +2*alpha*h_to_c_2_2
66695 h_to_c_0_4 = -1*h_to_c_1_3
66696 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66697 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66698 h_to_c_3_4 = +2*alpha*h_to_c_2_3
66699 h_to_c_4_4 = +2*alpha*h_to_c_3_3
66700 h_to_c_0_5 = -1*h_to_c_1_4
66701 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
66702 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
66703 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
66704 h_to_c_4_5 = +2*alpha*h_to_c_3_4
66705 h_to_c_5_5 = +2*alpha*h_to_c_4_4
66706 h_to_c_0_6 = -1*h_to_c_1_5
66707 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
66708 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
66709 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
66710 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
66711 h_to_c_5_6 = +2*alpha*h_to_c_4_5
66712 h_to_c_6_6 = +2*alpha*h_to_c_5_5
66713
66714 exp_drsq = exp(-alpha*dr*dr)
66715 exp_2drsq = exp_drsq*exp_drsq
66716
66717 rr1_delta = (ra - rb)/dr
66718
66719 rr1_l = ceiling(-r_c(1) + rr1_delta)
66720 rr1_r = floor(r_c(1) + rr1_delta)
66721
66722 r1 = rr1_l*dr
66723
66724 alpha_e = zeta*zetb/(zeta + zetb)
66725
66726 DO rr1 = rr1_l, rr1_r
66727 s_r_t_0 = 0.0_dp
66728 s_r_t2_0 = 0.0_dp
66729 s_r_t_1 = 0.0_dp
66730 s_r_t2_1 = 0.0_dp
66731 s_r_t_2 = 0.0_dp
66732 s_r_t2_2 = 0.0_dp
66733 s_r_t_3 = 0.0_dp
66734 s_r_t2_3 = 0.0_dp
66735 s_r_t_4 = 0.0_dp
66736 s_r_t2_4 = 0.0_dp
66737 s_r_t_5 = 0.0_dp
66738 s_r_t2_5 = 0.0_dp
66739 s_r_t_6 = 0.0_dp
66740 s_r_t2_6 = 0.0_dp
66741 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66742 rr2_delta = -r_tmp/dr
66743
66744 rr2_l = ceiling(-r_c(2) + rr2_delta)
66745 rr2_r = floor(r_c(2) + rr2_delta)
66746
66747 r = r_tmp + (rr2_l)*dr
66748
66749 exp2_2rdr = exp(-2*alpha*r*dr)
66750 exp2_rsq = exp(-alpha*r*r)
66751
66752 DO rr2 = rr2_l, rr2_r
66753 r_pow_t = 1.0_dp
66754 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66755 r_pow_t = r_pow_t*r
66756 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66757 r_pow_t = r_pow_t*r
66758 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66759 r_pow_t = r_pow_t*r
66760 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66761 r_pow_t = r_pow_t*r
66762 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66763 r_pow_t = r_pow_t*r
66764 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
66765 r_pow_t = r_pow_t*r
66766 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
66767
66768 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66769 exp2_2rdr = exp2_2rdr*exp_2drsq
66770 r = r + dr
66771 END DO
66772
66773 ! C --> H
66774 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66775 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66776 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66777 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66778 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66779 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66780 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66781 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66782 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66783 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66784 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66785 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66786 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66787 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66788 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66789 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
66790 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
66791 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
66792 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
66793 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
66794 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
66795 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
66796 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
66797 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
66798 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
66799 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
66800 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
66801 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
66802
66803 ! H --> HH
66804 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66805
66806 c1 = 1.0_dp/(zeta + zetb)
66807 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66808 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66809
66810 e_0_1_0 = zeta*( &
66811 +c2*e_0_0_0&
66812
66813 )
66814 e_0_0_1 = zetb*( &
66815 +c3*e_0_0_0&
66816
66817 )
66818 e_1_1_0 = zeta*( c1*e_0_0_0 &
66819
66820
66821 )
66822 e_1_0_1 = zetb*( c1*e_0_0_0 &
66823
66824
66825 )
66826 e_0_1_1 = zetb*( &
66827 +c3*e_0_1_0&
66828 +2*e_1_1_0 &
66829 )
66830 e_1_1_1 = zetb*( c1*e_0_1_0 &
66831 +c3*e_1_1_0&
66832
66833 )
66834 e_2_1_1 = zetb*( c1*e_1_1_0 &
66835
66836
66837 )
66838 e_0_1_1 = zeta*( &
66839 +c2*e_0_0_1&
66840 +2*e_1_0_1 &
66841 )
66842 e_1_1_1 = zeta*( c1*e_0_0_1 &
66843 +c2*e_1_0_1&
66844
66845 )
66846 e_2_1_1 = zeta*( c1*e_1_0_1 &
66847
66848
66849 )
66850
66851 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66852 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66853 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66854 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66855 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66856 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66857 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66858 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66859 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66860 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66861 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66862 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66863 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66864 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66865 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66866 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66867 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66868 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66869 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66870 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66871 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66872 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66873 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66874 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66875 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
66876 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
66877 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
66878 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
66879 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
66880 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66881 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
66882 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
66883 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
66884 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
66885 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
66886 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
66887 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
66888 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66889 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
66890 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
66891 r1 = r1 + dr
66892 END DO
66893
66894 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66895 END SUBROUTINE
66896 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_0_exp_1 ( &
66897 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66898 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66899 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66900 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66901 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66902 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66903 r_pow_t, r_tmp, rr1_delta, rr2_delta
66904
66905 REAL(kind=dp) :: c1, c2, c3
66906 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
66907 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
66908 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66909 & h_to_c_3_3
66910 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
66911 & e_1_1_2, e_2_1_2, e_3_1_2
66912
66913 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66914
66915 dr = lgth
66916 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66917
66918 s_r(:, :, :) = 0.0_dp
66919
66920 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66921
66922 h_to_c_0_0 = sqrt(alpha/pi)
66923
66924 h_to_c_0_1 = 0.0_dp
66925 h_to_c_1_1 = +2*alpha*h_to_c_0_0
66926 h_to_c_0_2 = -1*h_to_c_1_1
66927 h_to_c_1_2 = +2*alpha*h_to_c_0_1
66928 h_to_c_2_2 = +2*alpha*h_to_c_1_1
66929 h_to_c_0_3 = -1*h_to_c_1_2
66930 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66931 h_to_c_2_3 = +2*alpha*h_to_c_1_2
66932 h_to_c_3_3 = +2*alpha*h_to_c_2_2
66933
66934 exp_drsq = exp(-alpha*dr*dr)
66935 exp_2drsq = exp_drsq*exp_drsq
66936
66937 rr1_delta = (ra - rb)/dr
66938
66939 rr1_l = ceiling(-r_c(1) + rr1_delta)
66940 rr1_r = floor(r_c(1) + rr1_delta)
66941
66942 r1 = rr1_l*dr
66943
66944 alpha_e = zeta*zetb/(zeta + zetb)
66945
66946 DO rr1 = rr1_l, rr1_r
66947 s_r_t_0 = 0.0_dp
66948 s_r_t2_0 = 0.0_dp
66949 s_r_t_1 = 0.0_dp
66950 s_r_t2_1 = 0.0_dp
66951 s_r_t_2 = 0.0_dp
66952 s_r_t2_2 = 0.0_dp
66953 s_r_t_3 = 0.0_dp
66954 s_r_t2_3 = 0.0_dp
66955 r_tmp = r_offset + r1*zeta/(zeta + zetb)
66956 rr2_delta = -r_tmp/dr
66957
66958 rr2_l = ceiling(-r_c(2) + rr2_delta)
66959 rr2_r = floor(r_c(2) + rr2_delta)
66960
66961 r = r_tmp + (rr2_l)*dr
66962
66963 exp2_2rdr = exp(-2*alpha*r*dr)
66964 exp2_rsq = exp(-alpha*r*r)
66965
66966 DO rr2 = rr2_l, rr2_r
66967 r_pow_t = 1.0_dp
66968 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66969 r_pow_t = r_pow_t*r
66970 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66971 r_pow_t = r_pow_t*r
66972 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66973 r_pow_t = r_pow_t*r
66974 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66975
66976 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66977 exp2_2rdr = exp2_2rdr*exp_2drsq
66978 r = r + dr
66979 END DO
66980
66981 ! C --> H
66982 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66983 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66984 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66985 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66986 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66987 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66988 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66989 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66990 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66991 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66992
66993 ! H --> HH
66994 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66995
66996 c1 = 1.0_dp/(zeta + zetb)
66997 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66998 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66999
67000 e_0_1_0 = zeta*( &
67001 +c2*e_0_0_0&
67002
67003 )
67004 e_0_0_1 = zetb*( &
67005 +c3*e_0_0_0&
67006
67007 )
67008 e_1_1_0 = zeta*( c1*e_0_0_0 &
67009
67010
67011 )
67012 e_1_0_1 = zetb*( c1*e_0_0_0 &
67013
67014
67015 )
67016 e_0_1_1 = zetb*( &
67017 +c3*e_0_1_0&
67018 +2*e_1_1_0 &
67019 )
67020 e_1_1_1 = zetb*( c1*e_0_1_0 &
67021 +c3*e_1_1_0&
67022
67023 )
67024 e_2_1_1 = zetb*( c1*e_1_1_0 &
67025
67026
67027 )
67028 e_0_1_1 = zeta*( &
67029 +c2*e_0_0_1&
67030 +2*e_1_0_1 &
67031 )
67032 e_0_0_2 = zetb*( &
67033 +c3*e_0_0_1&
67034 +2*e_1_0_1 &
67035 -2*e_0_0_0)
67036 e_1_1_1 = zeta*( c1*e_0_0_1 &
67037 +c2*e_1_0_1&
67038
67039 )
67040 e_1_0_2 = zetb*( c1*e_0_0_1 &
67041 +c3*e_1_0_1&
67042
67043 )
67044 e_2_1_1 = zeta*( c1*e_1_0_1 &
67045
67046
67047 )
67048 e_2_0_2 = zetb*( c1*e_1_0_1 &
67049
67050
67051 )
67052 e_0_1_2 = zetb*( &
67053 +c3*e_0_1_1&
67054 +2*e_1_1_1 &
67055 -2*e_0_1_0)
67056 e_1_1_2 = zetb*( c1*e_0_1_1 &
67057 +c3*e_1_1_1&
67058 +4*e_2_1_1 &
67059 -2*e_1_1_0)
67060 e_2_1_2 = zetb*( c1*e_1_1_1 &
67061 +c3*e_2_1_1&
67062
67063 )
67064 e_3_1_2 = zetb*( c1*e_2_1_1 &
67065
67066
67067 )
67068 e_0_1_2 = zeta*( &
67069 +c2*e_0_0_2&
67070 +2*e_1_0_2 &
67071 )
67072 e_1_1_2 = zeta*( c1*e_0_0_2 &
67073 +c2*e_1_0_2&
67074 +4*e_2_0_2 &
67075 )
67076 e_2_1_2 = zeta*( c1*e_1_0_2 &
67077 +c2*e_2_0_2&
67078
67079 )
67080 e_3_1_2 = zeta*( c1*e_2_0_2 &
67081
67082
67083 )
67084
67085 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67086 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67087 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67088 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67089 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67090 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67091 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67092 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67093 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67094 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67095 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67096 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67097 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67098 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67099 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67100 r1 = r1 + dr
67101 END DO
67102
67103 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67104 END SUBROUTINE
67105 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_1_exp_1 ( &
67106 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67107 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67108 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67109 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67110 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67111 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67112 r_pow_t, r_tmp, rr1_delta, rr2_delta
67113
67114 REAL(kind=dp) :: c1, c2, c3
67115 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
67116 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
67117 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67118 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
67119 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67120 & e_1_1_2, e_2_1_2, e_3_1_2
67121
67122 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67123
67124 dr = lgth
67125 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67126
67127 s_r(:, :, :) = 0.0_dp
67128
67129 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67130
67131 h_to_c_0_0 = sqrt(alpha/pi)
67132
67133 h_to_c_0_1 = 0.0_dp
67134 h_to_c_1_1 = +2*alpha*h_to_c_0_0
67135 h_to_c_0_2 = -1*h_to_c_1_1
67136 h_to_c_1_2 = +2*alpha*h_to_c_0_1
67137 h_to_c_2_2 = +2*alpha*h_to_c_1_1
67138 h_to_c_0_3 = -1*h_to_c_1_2
67139 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67140 h_to_c_2_3 = +2*alpha*h_to_c_1_2
67141 h_to_c_3_3 = +2*alpha*h_to_c_2_2
67142 h_to_c_0_4 = -1*h_to_c_1_3
67143 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67144 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67145 h_to_c_3_4 = +2*alpha*h_to_c_2_3
67146 h_to_c_4_4 = +2*alpha*h_to_c_3_3
67147
67148 exp_drsq = exp(-alpha*dr*dr)
67149 exp_2drsq = exp_drsq*exp_drsq
67150
67151 rr1_delta = (ra - rb)/dr
67152
67153 rr1_l = ceiling(-r_c(1) + rr1_delta)
67154 rr1_r = floor(r_c(1) + rr1_delta)
67155
67156 r1 = rr1_l*dr
67157
67158 alpha_e = zeta*zetb/(zeta + zetb)
67159
67160 DO rr1 = rr1_l, rr1_r
67161 s_r_t_0 = 0.0_dp
67162 s_r_t2_0 = 0.0_dp
67163 s_r_t_1 = 0.0_dp
67164 s_r_t2_1 = 0.0_dp
67165 s_r_t_2 = 0.0_dp
67166 s_r_t2_2 = 0.0_dp
67167 s_r_t_3 = 0.0_dp
67168 s_r_t2_3 = 0.0_dp
67169 s_r_t_4 = 0.0_dp
67170 s_r_t2_4 = 0.0_dp
67171 r_tmp = r_offset + r1*zeta/(zeta + zetb)
67172 rr2_delta = -r_tmp/dr
67173
67174 rr2_l = ceiling(-r_c(2) + rr2_delta)
67175 rr2_r = floor(r_c(2) + rr2_delta)
67176
67177 r = r_tmp + (rr2_l)*dr
67178
67179 exp2_2rdr = exp(-2*alpha*r*dr)
67180 exp2_rsq = exp(-alpha*r*r)
67181
67182 DO rr2 = rr2_l, rr2_r
67183 r_pow_t = 1.0_dp
67184 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67185 r_pow_t = r_pow_t*r
67186 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67187 r_pow_t = r_pow_t*r
67188 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67189 r_pow_t = r_pow_t*r
67190 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67191 r_pow_t = r_pow_t*r
67192 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67193
67194 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67195 exp2_2rdr = exp2_2rdr*exp_2drsq
67196 r = r + dr
67197 END DO
67198
67199 ! C --> H
67200 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67201 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67202 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67203 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67204 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67205 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67206 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67207 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67208 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67209 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67210 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67211 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67212 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67213 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67214 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67215
67216 ! H --> HH
67217 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67218
67219 c1 = 1.0_dp/(zeta + zetb)
67220 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67221 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67222
67223 e_0_1_0 = zeta*( &
67224 +c2*e_0_0_0&
67225
67226 )
67227 e_0_0_1 = zetb*( &
67228 +c3*e_0_0_0&
67229
67230 )
67231 e_1_1_0 = zeta*( c1*e_0_0_0 &
67232
67233
67234 )
67235 e_1_0_1 = zetb*( c1*e_0_0_0 &
67236
67237
67238 )
67239 e_0_1_1 = zetb*( &
67240 +c3*e_0_1_0&
67241 +2*e_1_1_0 &
67242 )
67243 e_1_1_1 = zetb*( c1*e_0_1_0 &
67244 +c3*e_1_1_0&
67245
67246 )
67247 e_2_1_1 = zetb*( c1*e_1_1_0 &
67248
67249
67250 )
67251 e_0_1_1 = zeta*( &
67252 +c2*e_0_0_1&
67253 +2*e_1_0_1 &
67254 )
67255 e_0_0_2 = zetb*( &
67256 +c3*e_0_0_1&
67257 +2*e_1_0_1 &
67258 -2*e_0_0_0)
67259 e_1_1_1 = zeta*( c1*e_0_0_1 &
67260 +c2*e_1_0_1&
67261
67262 )
67263 e_1_0_2 = zetb*( c1*e_0_0_1 &
67264 +c3*e_1_0_1&
67265
67266 )
67267 e_2_1_1 = zeta*( c1*e_1_0_1 &
67268
67269
67270 )
67271 e_2_0_2 = zetb*( c1*e_1_0_1 &
67272
67273
67274 )
67275 e_0_1_2 = zetb*( &
67276 +c3*e_0_1_1&
67277 +2*e_1_1_1 &
67278 -2*e_0_1_0)
67279 e_1_1_2 = zetb*( c1*e_0_1_1 &
67280 +c3*e_1_1_1&
67281 +4*e_2_1_1 &
67282 -2*e_1_1_0)
67283 e_2_1_2 = zetb*( c1*e_1_1_1 &
67284 +c3*e_2_1_1&
67285
67286 )
67287 e_3_1_2 = zetb*( c1*e_2_1_1 &
67288
67289
67290 )
67291 e_0_1_2 = zeta*( &
67292 +c2*e_0_0_2&
67293 +2*e_1_0_2 &
67294 )
67295 e_1_1_2 = zeta*( c1*e_0_0_2 &
67296 +c2*e_1_0_2&
67297 +4*e_2_0_2 &
67298 )
67299 e_2_1_2 = zeta*( c1*e_1_0_2 &
67300 +c2*e_2_0_2&
67301
67302 )
67303 e_3_1_2 = zeta*( c1*e_2_0_2 &
67304
67305
67306 )
67307
67308 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67309 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67310 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67311 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67312 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67313 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67314 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67315 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67316 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67317 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67318 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67319 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67320 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67321 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67322 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67323 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67324 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67325 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67326 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67327 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67328 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67329 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67330 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67331 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67332 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67333 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67334 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67335 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67336 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67337 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67338 r1 = r1 + dr
67339 END DO
67340
67341 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67342 END SUBROUTINE
67343 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_2_exp_1 ( &
67344 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67345 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67346 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67347 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67348 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67349 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67350 r_pow_t, r_tmp, rr1_delta, rr2_delta
67351
67352 REAL(kind=dp) :: c1, c2, c3
67353 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
67354 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
67355 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67356 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67357 & h_to_c_4_5, h_to_c_5_5
67358 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67359 & e_1_1_2, e_2_1_2, e_3_1_2
67360
67361 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67362
67363 dr = lgth
67364 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67365
67366 s_r(:, :, :) = 0.0_dp
67367
67368 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67369
67370 h_to_c_0_0 = sqrt(alpha/pi)
67371
67372 h_to_c_0_1 = 0.0_dp
67373 h_to_c_1_1 = +2*alpha*h_to_c_0_0
67374 h_to_c_0_2 = -1*h_to_c_1_1
67375 h_to_c_1_2 = +2*alpha*h_to_c_0_1
67376 h_to_c_2_2 = +2*alpha*h_to_c_1_1
67377 h_to_c_0_3 = -1*h_to_c_1_2
67378 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67379 h_to_c_2_3 = +2*alpha*h_to_c_1_2
67380 h_to_c_3_3 = +2*alpha*h_to_c_2_2
67381 h_to_c_0_4 = -1*h_to_c_1_3
67382 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67383 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67384 h_to_c_3_4 = +2*alpha*h_to_c_2_3
67385 h_to_c_4_4 = +2*alpha*h_to_c_3_3
67386 h_to_c_0_5 = -1*h_to_c_1_4
67387 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67388 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67389 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67390 h_to_c_4_5 = +2*alpha*h_to_c_3_4
67391 h_to_c_5_5 = +2*alpha*h_to_c_4_4
67392
67393 exp_drsq = exp(-alpha*dr*dr)
67394 exp_2drsq = exp_drsq*exp_drsq
67395
67396 rr1_delta = (ra - rb)/dr
67397
67398 rr1_l = ceiling(-r_c(1) + rr1_delta)
67399 rr1_r = floor(r_c(1) + rr1_delta)
67400
67401 r1 = rr1_l*dr
67402
67403 alpha_e = zeta*zetb/(zeta + zetb)
67404
67405 DO rr1 = rr1_l, rr1_r
67406 s_r_t_0 = 0.0_dp
67407 s_r_t2_0 = 0.0_dp
67408 s_r_t_1 = 0.0_dp
67409 s_r_t2_1 = 0.0_dp
67410 s_r_t_2 = 0.0_dp
67411 s_r_t2_2 = 0.0_dp
67412 s_r_t_3 = 0.0_dp
67413 s_r_t2_3 = 0.0_dp
67414 s_r_t_4 = 0.0_dp
67415 s_r_t2_4 = 0.0_dp
67416 s_r_t_5 = 0.0_dp
67417 s_r_t2_5 = 0.0_dp
67418 r_tmp = r_offset + r1*zeta/(zeta + zetb)
67419 rr2_delta = -r_tmp/dr
67420
67421 rr2_l = ceiling(-r_c(2) + rr2_delta)
67422 rr2_r = floor(r_c(2) + rr2_delta)
67423
67424 r = r_tmp + (rr2_l)*dr
67425
67426 exp2_2rdr = exp(-2*alpha*r*dr)
67427 exp2_rsq = exp(-alpha*r*r)
67428
67429 DO rr2 = rr2_l, rr2_r
67430 r_pow_t = 1.0_dp
67431 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67432 r_pow_t = r_pow_t*r
67433 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67434 r_pow_t = r_pow_t*r
67435 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67436 r_pow_t = r_pow_t*r
67437 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67438 r_pow_t = r_pow_t*r
67439 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67440 r_pow_t = r_pow_t*r
67441 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
67442
67443 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67444 exp2_2rdr = exp2_2rdr*exp_2drsq
67445 r = r + dr
67446 END DO
67447
67448 ! C --> H
67449 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67450 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67451 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67452 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67453 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67454 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67455 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67456 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67457 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67458 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67459 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67460 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67461 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67462 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67463 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67464 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
67465 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
67466 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
67467 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
67468 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
67469 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
67470
67471 ! H --> HH
67472 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67473
67474 c1 = 1.0_dp/(zeta + zetb)
67475 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67476 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67477
67478 e_0_1_0 = zeta*( &
67479 +c2*e_0_0_0&
67480
67481 )
67482 e_0_0_1 = zetb*( &
67483 +c3*e_0_0_0&
67484
67485 )
67486 e_1_1_0 = zeta*( c1*e_0_0_0 &
67487
67488
67489 )
67490 e_1_0_1 = zetb*( c1*e_0_0_0 &
67491
67492
67493 )
67494 e_0_1_1 = zetb*( &
67495 +c3*e_0_1_0&
67496 +2*e_1_1_0 &
67497 )
67498 e_1_1_1 = zetb*( c1*e_0_1_0 &
67499 +c3*e_1_1_0&
67500
67501 )
67502 e_2_1_1 = zetb*( c1*e_1_1_0 &
67503
67504
67505 )
67506 e_0_1_1 = zeta*( &
67507 +c2*e_0_0_1&
67508 +2*e_1_0_1 &
67509 )
67510 e_0_0_2 = zetb*( &
67511 +c3*e_0_0_1&
67512 +2*e_1_0_1 &
67513 -2*e_0_0_0)
67514 e_1_1_1 = zeta*( c1*e_0_0_1 &
67515 +c2*e_1_0_1&
67516
67517 )
67518 e_1_0_2 = zetb*( c1*e_0_0_1 &
67519 +c3*e_1_0_1&
67520
67521 )
67522 e_2_1_1 = zeta*( c1*e_1_0_1 &
67523
67524
67525 )
67526 e_2_0_2 = zetb*( c1*e_1_0_1 &
67527
67528
67529 )
67530 e_0_1_2 = zetb*( &
67531 +c3*e_0_1_1&
67532 +2*e_1_1_1 &
67533 -2*e_0_1_0)
67534 e_1_1_2 = zetb*( c1*e_0_1_1 &
67535 +c3*e_1_1_1&
67536 +4*e_2_1_1 &
67537 -2*e_1_1_0)
67538 e_2_1_2 = zetb*( c1*e_1_1_1 &
67539 +c3*e_2_1_1&
67540
67541 )
67542 e_3_1_2 = zetb*( c1*e_2_1_1 &
67543
67544
67545 )
67546 e_0_1_2 = zeta*( &
67547 +c2*e_0_0_2&
67548 +2*e_1_0_2 &
67549 )
67550 e_1_1_2 = zeta*( c1*e_0_0_2 &
67551 +c2*e_1_0_2&
67552 +4*e_2_0_2 &
67553 )
67554 e_2_1_2 = zeta*( c1*e_1_0_2 &
67555 +c2*e_2_0_2&
67556
67557 )
67558 e_3_1_2 = zeta*( c1*e_2_0_2 &
67559
67560
67561 )
67562
67563 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67564 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67565 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67566 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67567 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67568 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67569 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67570 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67571 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67572 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67573 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67574 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67575 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67576 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67577 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67578 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67579 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67580 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67581 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67582 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67583 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67584 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67585 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67586 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67587 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67588 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67589 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67590 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67591 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67592 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67593 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
67594 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
67595 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
67596 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
67597 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
67598 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67599 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
67600 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
67601 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67602 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
67603 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
67604 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67605 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67606 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
67607 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
67608 r1 = r1 + dr
67609 END DO
67610
67611 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67612 END SUBROUTINE
67613 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_3_exp_1 ( &
67614 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67615 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67616 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67617 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67618 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67619 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67620 r_pow_t, r_tmp, rr1_delta, rr2_delta
67621
67622 REAL(kind=dp) :: c1, c2, c3
67623 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
67624 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
67625 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67626 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67627 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
67628 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67629 & e_1_1_2, e_2_1_2, e_3_1_2
67630
67631 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67632
67633 dr = lgth
67634 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67635
67636 s_r(:, :, :) = 0.0_dp
67637
67638 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67639
67640 h_to_c_0_0 = sqrt(alpha/pi)
67641
67642 h_to_c_0_1 = 0.0_dp
67643 h_to_c_1_1 = +2*alpha*h_to_c_0_0
67644 h_to_c_0_2 = -1*h_to_c_1_1
67645 h_to_c_1_2 = +2*alpha*h_to_c_0_1
67646 h_to_c_2_2 = +2*alpha*h_to_c_1_1
67647 h_to_c_0_3 = -1*h_to_c_1_2
67648 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67649 h_to_c_2_3 = +2*alpha*h_to_c_1_2
67650 h_to_c_3_3 = +2*alpha*h_to_c_2_2
67651 h_to_c_0_4 = -1*h_to_c_1_3
67652 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67653 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67654 h_to_c_3_4 = +2*alpha*h_to_c_2_3
67655 h_to_c_4_4 = +2*alpha*h_to_c_3_3
67656 h_to_c_0_5 = -1*h_to_c_1_4
67657 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67658 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67659 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67660 h_to_c_4_5 = +2*alpha*h_to_c_3_4
67661 h_to_c_5_5 = +2*alpha*h_to_c_4_4
67662 h_to_c_0_6 = -1*h_to_c_1_5
67663 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
67664 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
67665 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
67666 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
67667 h_to_c_5_6 = +2*alpha*h_to_c_4_5
67668 h_to_c_6_6 = +2*alpha*h_to_c_5_5
67669
67670 exp_drsq = exp(-alpha*dr*dr)
67671 exp_2drsq = exp_drsq*exp_drsq
67672
67673 rr1_delta = (ra - rb)/dr
67674
67675 rr1_l = ceiling(-r_c(1) + rr1_delta)
67676 rr1_r = floor(r_c(1) + rr1_delta)
67677
67678 r1 = rr1_l*dr
67679
67680 alpha_e = zeta*zetb/(zeta + zetb)
67681
67682 DO rr1 = rr1_l, rr1_r
67683 s_r_t_0 = 0.0_dp
67684 s_r_t2_0 = 0.0_dp
67685 s_r_t_1 = 0.0_dp
67686 s_r_t2_1 = 0.0_dp
67687 s_r_t_2 = 0.0_dp
67688 s_r_t2_2 = 0.0_dp
67689 s_r_t_3 = 0.0_dp
67690 s_r_t2_3 = 0.0_dp
67691 s_r_t_4 = 0.0_dp
67692 s_r_t2_4 = 0.0_dp
67693 s_r_t_5 = 0.0_dp
67694 s_r_t2_5 = 0.0_dp
67695 s_r_t_6 = 0.0_dp
67696 s_r_t2_6 = 0.0_dp
67697 r_tmp = r_offset + r1*zeta/(zeta + zetb)
67698 rr2_delta = -r_tmp/dr
67699
67700 rr2_l = ceiling(-r_c(2) + rr2_delta)
67701 rr2_r = floor(r_c(2) + rr2_delta)
67702
67703 r = r_tmp + (rr2_l)*dr
67704
67705 exp2_2rdr = exp(-2*alpha*r*dr)
67706 exp2_rsq = exp(-alpha*r*r)
67707
67708 DO rr2 = rr2_l, rr2_r
67709 r_pow_t = 1.0_dp
67710 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67711 r_pow_t = r_pow_t*r
67712 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67713 r_pow_t = r_pow_t*r
67714 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67715 r_pow_t = r_pow_t*r
67716 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67717 r_pow_t = r_pow_t*r
67718 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67719 r_pow_t = r_pow_t*r
67720 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
67721 r_pow_t = r_pow_t*r
67722 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
67723
67724 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67725 exp2_2rdr = exp2_2rdr*exp_2drsq
67726 r = r + dr
67727 END DO
67728
67729 ! C --> H
67730 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67731 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67732 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67733 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67734 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67735 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67736 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67737 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67738 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67739 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67740 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67741 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67742 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67743 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67744 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67745 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
67746 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
67747 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
67748 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
67749 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
67750 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
67751 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
67752 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
67753 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
67754 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
67755 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
67756 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
67757 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
67758
67759 ! H --> HH
67760 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67761
67762 c1 = 1.0_dp/(zeta + zetb)
67763 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67764 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67765
67766 e_0_1_0 = zeta*( &
67767 +c2*e_0_0_0&
67768
67769 )
67770 e_0_0_1 = zetb*( &
67771 +c3*e_0_0_0&
67772
67773 )
67774 e_1_1_0 = zeta*( c1*e_0_0_0 &
67775
67776
67777 )
67778 e_1_0_1 = zetb*( c1*e_0_0_0 &
67779
67780
67781 )
67782 e_0_1_1 = zetb*( &
67783 +c3*e_0_1_0&
67784 +2*e_1_1_0 &
67785 )
67786 e_1_1_1 = zetb*( c1*e_0_1_0 &
67787 +c3*e_1_1_0&
67788
67789 )
67790 e_2_1_1 = zetb*( c1*e_1_1_0 &
67791
67792
67793 )
67794 e_0_1_1 = zeta*( &
67795 +c2*e_0_0_1&
67796 +2*e_1_0_1 &
67797 )
67798 e_0_0_2 = zetb*( &
67799 +c3*e_0_0_1&
67800 +2*e_1_0_1 &
67801 -2*e_0_0_0)
67802 e_1_1_1 = zeta*( c1*e_0_0_1 &
67803 +c2*e_1_0_1&
67804
67805 )
67806 e_1_0_2 = zetb*( c1*e_0_0_1 &
67807 +c3*e_1_0_1&
67808
67809 )
67810 e_2_1_1 = zeta*( c1*e_1_0_1 &
67811
67812
67813 )
67814 e_2_0_2 = zetb*( c1*e_1_0_1 &
67815
67816
67817 )
67818 e_0_1_2 = zetb*( &
67819 +c3*e_0_1_1&
67820 +2*e_1_1_1 &
67821 -2*e_0_1_0)
67822 e_1_1_2 = zetb*( c1*e_0_1_1 &
67823 +c3*e_1_1_1&
67824 +4*e_2_1_1 &
67825 -2*e_1_1_0)
67826 e_2_1_2 = zetb*( c1*e_1_1_1 &
67827 +c3*e_2_1_1&
67828
67829 )
67830 e_3_1_2 = zetb*( c1*e_2_1_1 &
67831
67832
67833 )
67834 e_0_1_2 = zeta*( &
67835 +c2*e_0_0_2&
67836 +2*e_1_0_2 &
67837 )
67838 e_1_1_2 = zeta*( c1*e_0_0_2 &
67839 +c2*e_1_0_2&
67840 +4*e_2_0_2 &
67841 )
67842 e_2_1_2 = zeta*( c1*e_1_0_2 &
67843 +c2*e_2_0_2&
67844
67845 )
67846 e_3_1_2 = zeta*( c1*e_2_0_2 &
67847
67848
67849 )
67850
67851 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67852 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67853 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67854 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67855 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67856 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67857 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67858 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67859 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67860 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67861 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67862 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67863 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67864 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67865 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67866 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67867 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67868 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67869 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67870 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67871 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67872 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67873 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67874 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67875 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67876 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67877 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67878 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67879 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67880 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67881 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
67882 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
67883 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
67884 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
67885 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
67886 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67887 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
67888 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
67889 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67890 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
67891 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
67892 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67893 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67894 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
67895 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
67896 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
67897 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
67898 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
67899 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
67900 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
67901 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67902 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
67903 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
67904 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67905 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
67906 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
67907 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67908 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67909 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
67910 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
67911 r1 = r1 + dr
67912 END DO
67913
67914 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67915 END SUBROUTINE
67916 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_4_exp_1 ( &
67917 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67918 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67919 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67920 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67921 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67922 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67923 r_pow_t, r_tmp, rr1_delta, rr2_delta
67924
67925 REAL(kind=dp) :: c1, c2, c3
67926 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
67927 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
67928 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67929 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67930 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
67931 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
67932 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67933 & e_1_1_2, e_2_1_2, e_3_1_2
67934
67935 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67936
67937 dr = lgth
67938 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67939
67940 s_r(:, :, :) = 0.0_dp
67941
67942 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67943
67944 h_to_c_0_0 = sqrt(alpha/pi)
67945
67946 h_to_c_0_1 = 0.0_dp
67947 h_to_c_1_1 = +2*alpha*h_to_c_0_0
67948 h_to_c_0_2 = -1*h_to_c_1_1
67949 h_to_c_1_2 = +2*alpha*h_to_c_0_1
67950 h_to_c_2_2 = +2*alpha*h_to_c_1_1
67951 h_to_c_0_3 = -1*h_to_c_1_2
67952 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67953 h_to_c_2_3 = +2*alpha*h_to_c_1_2
67954 h_to_c_3_3 = +2*alpha*h_to_c_2_2
67955 h_to_c_0_4 = -1*h_to_c_1_3
67956 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67957 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67958 h_to_c_3_4 = +2*alpha*h_to_c_2_3
67959 h_to_c_4_4 = +2*alpha*h_to_c_3_3
67960 h_to_c_0_5 = -1*h_to_c_1_4
67961 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67962 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67963 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67964 h_to_c_4_5 = +2*alpha*h_to_c_3_4
67965 h_to_c_5_5 = +2*alpha*h_to_c_4_4
67966 h_to_c_0_6 = -1*h_to_c_1_5
67967 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
67968 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
67969 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
67970 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
67971 h_to_c_5_6 = +2*alpha*h_to_c_4_5
67972 h_to_c_6_6 = +2*alpha*h_to_c_5_5
67973 h_to_c_0_7 = -1*h_to_c_1_6
67974 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
67975 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
67976 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
67977 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
67978 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
67979 h_to_c_6_7 = +2*alpha*h_to_c_5_6
67980 h_to_c_7_7 = +2*alpha*h_to_c_6_6
67981
67982 exp_drsq = exp(-alpha*dr*dr)
67983 exp_2drsq = exp_drsq*exp_drsq
67984
67985 rr1_delta = (ra - rb)/dr
67986
67987 rr1_l = ceiling(-r_c(1) + rr1_delta)
67988 rr1_r = floor(r_c(1) + rr1_delta)
67989
67990 r1 = rr1_l*dr
67991
67992 alpha_e = zeta*zetb/(zeta + zetb)
67993
67994 DO rr1 = rr1_l, rr1_r
67995 s_r_t_0 = 0.0_dp
67996 s_r_t2_0 = 0.0_dp
67997 s_r_t_1 = 0.0_dp
67998 s_r_t2_1 = 0.0_dp
67999 s_r_t_2 = 0.0_dp
68000 s_r_t2_2 = 0.0_dp
68001 s_r_t_3 = 0.0_dp
68002 s_r_t2_3 = 0.0_dp
68003 s_r_t_4 = 0.0_dp
68004 s_r_t2_4 = 0.0_dp
68005 s_r_t_5 = 0.0_dp
68006 s_r_t2_5 = 0.0_dp
68007 s_r_t_6 = 0.0_dp
68008 s_r_t2_6 = 0.0_dp
68009 s_r_t_7 = 0.0_dp
68010 s_r_t2_7 = 0.0_dp
68011 r_tmp = r_offset + r1*zeta/(zeta + zetb)
68012 rr2_delta = -r_tmp/dr
68013
68014 rr2_l = ceiling(-r_c(2) + rr2_delta)
68015 rr2_r = floor(r_c(2) + rr2_delta)
68016
68017 r = r_tmp + (rr2_l)*dr
68018
68019 exp2_2rdr = exp(-2*alpha*r*dr)
68020 exp2_rsq = exp(-alpha*r*r)
68021
68022 DO rr2 = rr2_l, rr2_r
68023 r_pow_t = 1.0_dp
68024 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68025 r_pow_t = r_pow_t*r
68026 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68027 r_pow_t = r_pow_t*r
68028 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68029 r_pow_t = r_pow_t*r
68030 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68031 r_pow_t = r_pow_t*r
68032 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68033 r_pow_t = r_pow_t*r
68034 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68035 r_pow_t = r_pow_t*r
68036 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
68037 r_pow_t = r_pow_t*r
68038 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
68039
68040 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68041 exp2_2rdr = exp2_2rdr*exp_2drsq
68042 r = r + dr
68043 END DO
68044
68045 ! C --> H
68046 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68047 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68048 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68049 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68050 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68051 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68052 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68053 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68054 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68055 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68056 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68057 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68058 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68059 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68060 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68061 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
68062 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
68063 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
68064 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
68065 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
68066 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
68067 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
68068 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
68069 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
68070 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
68071 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
68072 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
68073 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
68074 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
68075 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
68076 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
68077 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
68078 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
68079 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
68080 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
68081 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
68082
68083 ! H --> HH
68084 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68085
68086 c1 = 1.0_dp/(zeta + zetb)
68087 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68088 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68089
68090 e_0_1_0 = zeta*( &
68091 +c2*e_0_0_0&
68092
68093 )
68094 e_0_0_1 = zetb*( &
68095 +c3*e_0_0_0&
68096
68097 )
68098 e_1_1_0 = zeta*( c1*e_0_0_0 &
68099
68100
68101 )
68102 e_1_0_1 = zetb*( c1*e_0_0_0 &
68103
68104
68105 )
68106 e_0_1_1 = zetb*( &
68107 +c3*e_0_1_0&
68108 +2*e_1_1_0 &
68109 )
68110 e_1_1_1 = zetb*( c1*e_0_1_0 &
68111 +c3*e_1_1_0&
68112
68113 )
68114 e_2_1_1 = zetb*( c1*e_1_1_0 &
68115
68116
68117 )
68118 e_0_1_1 = zeta*( &
68119 +c2*e_0_0_1&
68120 +2*e_1_0_1 &
68121 )
68122 e_0_0_2 = zetb*( &
68123 +c3*e_0_0_1&
68124 +2*e_1_0_1 &
68125 -2*e_0_0_0)
68126 e_1_1_1 = zeta*( c1*e_0_0_1 &
68127 +c2*e_1_0_1&
68128
68129 )
68130 e_1_0_2 = zetb*( c1*e_0_0_1 &
68131 +c3*e_1_0_1&
68132
68133 )
68134 e_2_1_1 = zeta*( c1*e_1_0_1 &
68135
68136
68137 )
68138 e_2_0_2 = zetb*( c1*e_1_0_1 &
68139
68140
68141 )
68142 e_0_1_2 = zetb*( &
68143 +c3*e_0_1_1&
68144 +2*e_1_1_1 &
68145 -2*e_0_1_0)
68146 e_1_1_2 = zetb*( c1*e_0_1_1 &
68147 +c3*e_1_1_1&
68148 +4*e_2_1_1 &
68149 -2*e_1_1_0)
68150 e_2_1_2 = zetb*( c1*e_1_1_1 &
68151 +c3*e_2_1_1&
68152
68153 )
68154 e_3_1_2 = zetb*( c1*e_2_1_1 &
68155
68156
68157 )
68158 e_0_1_2 = zeta*( &
68159 +c2*e_0_0_2&
68160 +2*e_1_0_2 &
68161 )
68162 e_1_1_2 = zeta*( c1*e_0_0_2 &
68163 +c2*e_1_0_2&
68164 +4*e_2_0_2 &
68165 )
68166 e_2_1_2 = zeta*( c1*e_1_0_2 &
68167 +c2*e_2_0_2&
68168
68169 )
68170 e_3_1_2 = zeta*( c1*e_2_0_2 &
68171
68172
68173 )
68174
68175 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68176 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68177 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68178 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68179 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68180 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68181 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68182 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68183 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68184 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68185 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68186 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68187 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68188 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68189 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68190 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
68191 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
68192 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
68193 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
68194 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
68195 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
68196 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
68197 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68198 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
68199 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
68200 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68201 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
68202 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
68203 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68204 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68205 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
68206 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
68207 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
68208 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
68209 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
68210 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68211 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
68212 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
68213 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68214 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
68215 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
68216 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68217 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68218 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
68219 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
68220 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
68221 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
68222 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
68223 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
68224 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
68225 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68226 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
68227 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
68228 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68229 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
68230 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
68231 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68232 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68233 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
68234 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
68235 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
68236 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
68237 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
68238 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
68239 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
68240 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
68241 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
68242 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
68243 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
68244 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
68245 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
68246 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
68247 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
68248 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
68249 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
68250 r1 = r1 + dr
68251 END DO
68252
68253 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68254 END SUBROUTINE
68255 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_0_exp_1 ( &
68256 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68257 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68258 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68259 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68260 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68261 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68262 r_pow_t, r_tmp, rr1_delta, rr2_delta
68263
68264 REAL(kind=dp) :: c1, c2, c3
68265 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
68266 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
68267 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68268 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
68269 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68270 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68271
68272 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68273
68274 dr = lgth
68275 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68276
68277 s_r(:, :, :) = 0.0_dp
68278
68279 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68280
68281 h_to_c_0_0 = sqrt(alpha/pi)
68282
68283 h_to_c_0_1 = 0.0_dp
68284 h_to_c_1_1 = +2*alpha*h_to_c_0_0
68285 h_to_c_0_2 = -1*h_to_c_1_1
68286 h_to_c_1_2 = +2*alpha*h_to_c_0_1
68287 h_to_c_2_2 = +2*alpha*h_to_c_1_1
68288 h_to_c_0_3 = -1*h_to_c_1_2
68289 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68290 h_to_c_2_3 = +2*alpha*h_to_c_1_2
68291 h_to_c_3_3 = +2*alpha*h_to_c_2_2
68292 h_to_c_0_4 = -1*h_to_c_1_3
68293 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68294 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68295 h_to_c_3_4 = +2*alpha*h_to_c_2_3
68296 h_to_c_4_4 = +2*alpha*h_to_c_3_3
68297
68298 exp_drsq = exp(-alpha*dr*dr)
68299 exp_2drsq = exp_drsq*exp_drsq
68300
68301 rr1_delta = (ra - rb)/dr
68302
68303 rr1_l = ceiling(-r_c(1) + rr1_delta)
68304 rr1_r = floor(r_c(1) + rr1_delta)
68305
68306 r1 = rr1_l*dr
68307
68308 alpha_e = zeta*zetb/(zeta + zetb)
68309
68310 DO rr1 = rr1_l, rr1_r
68311 s_r_t_0 = 0.0_dp
68312 s_r_t2_0 = 0.0_dp
68313 s_r_t_1 = 0.0_dp
68314 s_r_t2_1 = 0.0_dp
68315 s_r_t_2 = 0.0_dp
68316 s_r_t2_2 = 0.0_dp
68317 s_r_t_3 = 0.0_dp
68318 s_r_t2_3 = 0.0_dp
68319 s_r_t_4 = 0.0_dp
68320 s_r_t2_4 = 0.0_dp
68321 r_tmp = r_offset + r1*zeta/(zeta + zetb)
68322 rr2_delta = -r_tmp/dr
68323
68324 rr2_l = ceiling(-r_c(2) + rr2_delta)
68325 rr2_r = floor(r_c(2) + rr2_delta)
68326
68327 r = r_tmp + (rr2_l)*dr
68328
68329 exp2_2rdr = exp(-2*alpha*r*dr)
68330 exp2_rsq = exp(-alpha*r*r)
68331
68332 DO rr2 = rr2_l, rr2_r
68333 r_pow_t = 1.0_dp
68334 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68335 r_pow_t = r_pow_t*r
68336 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68337 r_pow_t = r_pow_t*r
68338 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68339 r_pow_t = r_pow_t*r
68340 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68341 r_pow_t = r_pow_t*r
68342 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68343
68344 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68345 exp2_2rdr = exp2_2rdr*exp_2drsq
68346 r = r + dr
68347 END DO
68348
68349 ! C --> H
68350 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68351 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68352 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68353 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68354 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68355 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68356 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68357 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68358 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68359 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68360 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68361 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68362 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68363 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68364 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68365
68366 ! H --> HH
68367 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68368
68369 c1 = 1.0_dp/(zeta + zetb)
68370 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68371 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68372
68373 e_0_1_0 = zeta*( &
68374 +c2*e_0_0_0&
68375
68376 )
68377 e_0_0_1 = zetb*( &
68378 +c3*e_0_0_0&
68379
68380 )
68381 e_1_1_0 = zeta*( c1*e_0_0_0 &
68382
68383
68384 )
68385 e_1_0_1 = zetb*( c1*e_0_0_0 &
68386
68387
68388 )
68389 e_0_1_1 = zetb*( &
68390 +c3*e_0_1_0&
68391 +2*e_1_1_0 &
68392 )
68393 e_1_1_1 = zetb*( c1*e_0_1_0 &
68394 +c3*e_1_1_0&
68395
68396 )
68397 e_2_1_1 = zetb*( c1*e_1_1_0 &
68398
68399
68400 )
68401 e_0_1_1 = zeta*( &
68402 +c2*e_0_0_1&
68403 +2*e_1_0_1 &
68404 )
68405 e_0_0_2 = zetb*( &
68406 +c3*e_0_0_1&
68407 +2*e_1_0_1 &
68408 -2*e_0_0_0)
68409 e_1_1_1 = zeta*( c1*e_0_0_1 &
68410 +c2*e_1_0_1&
68411
68412 )
68413 e_1_0_2 = zetb*( c1*e_0_0_1 &
68414 +c3*e_1_0_1&
68415
68416 )
68417 e_2_1_1 = zeta*( c1*e_1_0_1 &
68418
68419
68420 )
68421 e_2_0_2 = zetb*( c1*e_1_0_1 &
68422
68423
68424 )
68425 e_0_1_2 = zetb*( &
68426 +c3*e_0_1_1&
68427 +2*e_1_1_1 &
68428 -2*e_0_1_0)
68429 e_1_1_2 = zetb*( c1*e_0_1_1 &
68430 +c3*e_1_1_1&
68431 +4*e_2_1_1 &
68432 -2*e_1_1_0)
68433 e_2_1_2 = zetb*( c1*e_1_1_1 &
68434 +c3*e_2_1_1&
68435
68436 )
68437 e_3_1_2 = zetb*( c1*e_2_1_1 &
68438
68439
68440 )
68441 e_0_1_2 = zeta*( &
68442 +c2*e_0_0_2&
68443 +2*e_1_0_2 &
68444 )
68445 e_0_0_3 = zetb*( &
68446 +c3*e_0_0_2&
68447 +2*e_1_0_2 &
68448 -4*e_0_0_1)
68449 e_1_1_2 = zeta*( c1*e_0_0_2 &
68450 +c2*e_1_0_2&
68451 +4*e_2_0_2 &
68452 )
68453 e_1_0_3 = zetb*( c1*e_0_0_2 &
68454 +c3*e_1_0_2&
68455 +4*e_2_0_2 &
68456 -4*e_1_0_1)
68457 e_2_1_2 = zeta*( c1*e_1_0_2 &
68458 +c2*e_2_0_2&
68459
68460 )
68461 e_2_0_3 = zetb*( c1*e_1_0_2 &
68462 +c3*e_2_0_2&
68463
68464 )
68465 e_3_1_2 = zeta*( c1*e_2_0_2 &
68466
68467
68468 )
68469 e_3_0_3 = zetb*( c1*e_2_0_2 &
68470
68471
68472 )
68473 e_0_1_3 = zetb*( &
68474 +c3*e_0_1_2&
68475 +2*e_1_1_2 &
68476 -4*e_0_1_1)
68477 e_1_1_3 = zetb*( c1*e_0_1_2 &
68478 +c3*e_1_1_2&
68479 +4*e_2_1_2 &
68480 -4*e_1_1_1)
68481 e_2_1_3 = zetb*( c1*e_1_1_2 &
68482 +c3*e_2_1_2&
68483 +6*e_3_1_2 &
68484 -4*e_2_1_1)
68485 e_3_1_3 = zetb*( c1*e_2_1_2 &
68486 +c3*e_3_1_2&
68487
68488 )
68489 e_4_1_3 = zetb*( c1*e_3_1_2 &
68490
68491
68492 )
68493 e_0_1_3 = zeta*( &
68494 +c2*e_0_0_3&
68495 +2*e_1_0_3 &
68496 )
68497 e_1_1_3 = zeta*( c1*e_0_0_3 &
68498 +c2*e_1_0_3&
68499 +4*e_2_0_3 &
68500 )
68501 e_2_1_3 = zeta*( c1*e_1_0_3 &
68502 +c2*e_2_0_3&
68503 +6*e_3_0_3 &
68504 )
68505 e_3_1_3 = zeta*( c1*e_2_0_3 &
68506 +c2*e_3_0_3&
68507
68508 )
68509 e_4_1_3 = zeta*( c1*e_3_0_3 &
68510
68511
68512 )
68513
68514 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68515 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68516 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68517 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68518 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68519 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68520 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68521 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68522 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68523 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68524 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68525 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68526 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68527 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68528 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68529 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
68530 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
68531 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
68532 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
68533 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
68534 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
68535 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
68536 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
68537 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
68538 r1 = r1 + dr
68539 END DO
68540
68541 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68542 END SUBROUTINE
68543 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_1_exp_1 ( &
68544 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68545 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68546 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68547 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68548 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68549 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68550 r_pow_t, r_tmp, rr1_delta, rr2_delta
68551
68552 REAL(kind=dp) :: c1, c2, c3
68553 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
68554 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
68555 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68556 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
68557 & h_to_c_4_5, h_to_c_5_5
68558 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68559 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68560
68561 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68562
68563 dr = lgth
68564 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68565
68566 s_r(:, :, :) = 0.0_dp
68567
68568 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68569
68570 h_to_c_0_0 = sqrt(alpha/pi)
68571
68572 h_to_c_0_1 = 0.0_dp
68573 h_to_c_1_1 = +2*alpha*h_to_c_0_0
68574 h_to_c_0_2 = -1*h_to_c_1_1
68575 h_to_c_1_2 = +2*alpha*h_to_c_0_1
68576 h_to_c_2_2 = +2*alpha*h_to_c_1_1
68577 h_to_c_0_3 = -1*h_to_c_1_2
68578 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68579 h_to_c_2_3 = +2*alpha*h_to_c_1_2
68580 h_to_c_3_3 = +2*alpha*h_to_c_2_2
68581 h_to_c_0_4 = -1*h_to_c_1_3
68582 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68583 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68584 h_to_c_3_4 = +2*alpha*h_to_c_2_3
68585 h_to_c_4_4 = +2*alpha*h_to_c_3_3
68586 h_to_c_0_5 = -1*h_to_c_1_4
68587 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
68588 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
68589 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
68590 h_to_c_4_5 = +2*alpha*h_to_c_3_4
68591 h_to_c_5_5 = +2*alpha*h_to_c_4_4
68592
68593 exp_drsq = exp(-alpha*dr*dr)
68594 exp_2drsq = exp_drsq*exp_drsq
68595
68596 rr1_delta = (ra - rb)/dr
68597
68598 rr1_l = ceiling(-r_c(1) + rr1_delta)
68599 rr1_r = floor(r_c(1) + rr1_delta)
68600
68601 r1 = rr1_l*dr
68602
68603 alpha_e = zeta*zetb/(zeta + zetb)
68604
68605 DO rr1 = rr1_l, rr1_r
68606 s_r_t_0 = 0.0_dp
68607 s_r_t2_0 = 0.0_dp
68608 s_r_t_1 = 0.0_dp
68609 s_r_t2_1 = 0.0_dp
68610 s_r_t_2 = 0.0_dp
68611 s_r_t2_2 = 0.0_dp
68612 s_r_t_3 = 0.0_dp
68613 s_r_t2_3 = 0.0_dp
68614 s_r_t_4 = 0.0_dp
68615 s_r_t2_4 = 0.0_dp
68616 s_r_t_5 = 0.0_dp
68617 s_r_t2_5 = 0.0_dp
68618 r_tmp = r_offset + r1*zeta/(zeta + zetb)
68619 rr2_delta = -r_tmp/dr
68620
68621 rr2_l = ceiling(-r_c(2) + rr2_delta)
68622 rr2_r = floor(r_c(2) + rr2_delta)
68623
68624 r = r_tmp + (rr2_l)*dr
68625
68626 exp2_2rdr = exp(-2*alpha*r*dr)
68627 exp2_rsq = exp(-alpha*r*r)
68628
68629 DO rr2 = rr2_l, rr2_r
68630 r_pow_t = 1.0_dp
68631 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68632 r_pow_t = r_pow_t*r
68633 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68634 r_pow_t = r_pow_t*r
68635 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68636 r_pow_t = r_pow_t*r
68637 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68638 r_pow_t = r_pow_t*r
68639 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68640 r_pow_t = r_pow_t*r
68641 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68642
68643 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68644 exp2_2rdr = exp2_2rdr*exp_2drsq
68645 r = r + dr
68646 END DO
68647
68648 ! C --> H
68649 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68650 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68651 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68652 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68653 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68654 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68655 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68656 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68657 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68658 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68659 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68660 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68661 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68662 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68663 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68664 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
68665 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
68666 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
68667 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
68668 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
68669 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
68670
68671 ! H --> HH
68672 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68673
68674 c1 = 1.0_dp/(zeta + zetb)
68675 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68676 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68677
68678 e_0_1_0 = zeta*( &
68679 +c2*e_0_0_0&
68680
68681 )
68682 e_0_0_1 = zetb*( &
68683 +c3*e_0_0_0&
68684
68685 )
68686 e_1_1_0 = zeta*( c1*e_0_0_0 &
68687
68688
68689 )
68690 e_1_0_1 = zetb*( c1*e_0_0_0 &
68691
68692
68693 )
68694 e_0_1_1 = zetb*( &
68695 +c3*e_0_1_0&
68696 +2*e_1_1_0 &
68697 )
68698 e_1_1_1 = zetb*( c1*e_0_1_0 &
68699 +c3*e_1_1_0&
68700
68701 )
68702 e_2_1_1 = zetb*( c1*e_1_1_0 &
68703
68704
68705 )
68706 e_0_1_1 = zeta*( &
68707 +c2*e_0_0_1&
68708 +2*e_1_0_1 &
68709 )
68710 e_0_0_2 = zetb*( &
68711 +c3*e_0_0_1&
68712 +2*e_1_0_1 &
68713 -2*e_0_0_0)
68714 e_1_1_1 = zeta*( c1*e_0_0_1 &
68715 +c2*e_1_0_1&
68716
68717 )
68718 e_1_0_2 = zetb*( c1*e_0_0_1 &
68719 +c3*e_1_0_1&
68720
68721 )
68722 e_2_1_1 = zeta*( c1*e_1_0_1 &
68723
68724
68725 )
68726 e_2_0_2 = zetb*( c1*e_1_0_1 &
68727
68728
68729 )
68730 e_0_1_2 = zetb*( &
68731 +c3*e_0_1_1&
68732 +2*e_1_1_1 &
68733 -2*e_0_1_0)
68734 e_1_1_2 = zetb*( c1*e_0_1_1 &
68735 +c3*e_1_1_1&
68736 +4*e_2_1_1 &
68737 -2*e_1_1_0)
68738 e_2_1_2 = zetb*( c1*e_1_1_1 &
68739 +c3*e_2_1_1&
68740
68741 )
68742 e_3_1_2 = zetb*( c1*e_2_1_1 &
68743
68744
68745 )
68746 e_0_1_2 = zeta*( &
68747 +c2*e_0_0_2&
68748 +2*e_1_0_2 &
68749 )
68750 e_0_0_3 = zetb*( &
68751 +c3*e_0_0_2&
68752 +2*e_1_0_2 &
68753 -4*e_0_0_1)
68754 e_1_1_2 = zeta*( c1*e_0_0_2 &
68755 +c2*e_1_0_2&
68756 +4*e_2_0_2 &
68757 )
68758 e_1_0_3 = zetb*( c1*e_0_0_2 &
68759 +c3*e_1_0_2&
68760 +4*e_2_0_2 &
68761 -4*e_1_0_1)
68762 e_2_1_2 = zeta*( c1*e_1_0_2 &
68763 +c2*e_2_0_2&
68764
68765 )
68766 e_2_0_3 = zetb*( c1*e_1_0_2 &
68767 +c3*e_2_0_2&
68768
68769 )
68770 e_3_1_2 = zeta*( c1*e_2_0_2 &
68771
68772
68773 )
68774 e_3_0_3 = zetb*( c1*e_2_0_2 &
68775
68776
68777 )
68778 e_0_1_3 = zetb*( &
68779 +c3*e_0_1_2&
68780 +2*e_1_1_2 &
68781 -4*e_0_1_1)
68782 e_1_1_3 = zetb*( c1*e_0_1_2 &
68783 +c3*e_1_1_2&
68784 +4*e_2_1_2 &
68785 -4*e_1_1_1)
68786 e_2_1_3 = zetb*( c1*e_1_1_2 &
68787 +c3*e_2_1_2&
68788 +6*e_3_1_2 &
68789 -4*e_2_1_1)
68790 e_3_1_3 = zetb*( c1*e_2_1_2 &
68791 +c3*e_3_1_2&
68792
68793 )
68794 e_4_1_3 = zetb*( c1*e_3_1_2 &
68795
68796
68797 )
68798 e_0_1_3 = zeta*( &
68799 +c2*e_0_0_3&
68800 +2*e_1_0_3 &
68801 )
68802 e_1_1_3 = zeta*( c1*e_0_0_3 &
68803 +c2*e_1_0_3&
68804 +4*e_2_0_3 &
68805 )
68806 e_2_1_3 = zeta*( c1*e_1_0_3 &
68807 +c2*e_2_0_3&
68808 +6*e_3_0_3 &
68809 )
68810 e_3_1_3 = zeta*( c1*e_2_0_3 &
68811 +c2*e_3_0_3&
68812
68813 )
68814 e_4_1_3 = zeta*( c1*e_3_0_3 &
68815
68816
68817 )
68818
68819 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68820 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68821 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68822 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68823 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68824 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68825 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68826 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68827 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68828 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68829 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68830 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68831 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68832 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68833 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68834 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
68835 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
68836 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
68837 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
68838 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
68839 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
68840 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
68841 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
68842 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
68843 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
68844 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
68845 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
68846 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
68847 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
68848 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
68849 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
68850 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68851 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
68852 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
68853 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68854 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
68855 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
68856 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68857 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68858 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
68859 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
68860 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
68861 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
68862 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
68863 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
68864 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
68865 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
68866 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
68867 r1 = r1 + dr
68868 END DO
68869
68870 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68871 END SUBROUTINE
68872 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_2_exp_1 ( &
68873 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68874 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68875 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68876 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68877 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68878 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68879 r_pow_t, r_tmp, rr1_delta, rr2_delta
68880
68881 REAL(kind=dp) :: c1, c2, c3
68882 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
68883 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
68884 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68885 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
68886 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
68887 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68888 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68889
68890 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68891
68892 dr = lgth
68893 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68894
68895 s_r(:, :, :) = 0.0_dp
68896
68897 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68898
68899 h_to_c_0_0 = sqrt(alpha/pi)
68900
68901 h_to_c_0_1 = 0.0_dp
68902 h_to_c_1_1 = +2*alpha*h_to_c_0_0
68903 h_to_c_0_2 = -1*h_to_c_1_1
68904 h_to_c_1_2 = +2*alpha*h_to_c_0_1
68905 h_to_c_2_2 = +2*alpha*h_to_c_1_1
68906 h_to_c_0_3 = -1*h_to_c_1_2
68907 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68908 h_to_c_2_3 = +2*alpha*h_to_c_1_2
68909 h_to_c_3_3 = +2*alpha*h_to_c_2_2
68910 h_to_c_0_4 = -1*h_to_c_1_3
68911 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68912 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68913 h_to_c_3_4 = +2*alpha*h_to_c_2_3
68914 h_to_c_4_4 = +2*alpha*h_to_c_3_3
68915 h_to_c_0_5 = -1*h_to_c_1_4
68916 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
68917 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
68918 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
68919 h_to_c_4_5 = +2*alpha*h_to_c_3_4
68920 h_to_c_5_5 = +2*alpha*h_to_c_4_4
68921 h_to_c_0_6 = -1*h_to_c_1_5
68922 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
68923 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
68924 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
68925 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
68926 h_to_c_5_6 = +2*alpha*h_to_c_4_5
68927 h_to_c_6_6 = +2*alpha*h_to_c_5_5
68928
68929 exp_drsq = exp(-alpha*dr*dr)
68930 exp_2drsq = exp_drsq*exp_drsq
68931
68932 rr1_delta = (ra - rb)/dr
68933
68934 rr1_l = ceiling(-r_c(1) + rr1_delta)
68935 rr1_r = floor(r_c(1) + rr1_delta)
68936
68937 r1 = rr1_l*dr
68938
68939 alpha_e = zeta*zetb/(zeta + zetb)
68940
68941 DO rr1 = rr1_l, rr1_r
68942 s_r_t_0 = 0.0_dp
68943 s_r_t2_0 = 0.0_dp
68944 s_r_t_1 = 0.0_dp
68945 s_r_t2_1 = 0.0_dp
68946 s_r_t_2 = 0.0_dp
68947 s_r_t2_2 = 0.0_dp
68948 s_r_t_3 = 0.0_dp
68949 s_r_t2_3 = 0.0_dp
68950 s_r_t_4 = 0.0_dp
68951 s_r_t2_4 = 0.0_dp
68952 s_r_t_5 = 0.0_dp
68953 s_r_t2_5 = 0.0_dp
68954 s_r_t_6 = 0.0_dp
68955 s_r_t2_6 = 0.0_dp
68956 r_tmp = r_offset + r1*zeta/(zeta + zetb)
68957 rr2_delta = -r_tmp/dr
68958
68959 rr2_l = ceiling(-r_c(2) + rr2_delta)
68960 rr2_r = floor(r_c(2) + rr2_delta)
68961
68962 r = r_tmp + (rr2_l)*dr
68963
68964 exp2_2rdr = exp(-2*alpha*r*dr)
68965 exp2_rsq = exp(-alpha*r*r)
68966
68967 DO rr2 = rr2_l, rr2_r
68968 r_pow_t = 1.0_dp
68969 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68970 r_pow_t = r_pow_t*r
68971 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68972 r_pow_t = r_pow_t*r
68973 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68974 r_pow_t = r_pow_t*r
68975 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68976 r_pow_t = r_pow_t*r
68977 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68978 r_pow_t = r_pow_t*r
68979 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68980 r_pow_t = r_pow_t*r
68981 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
68982
68983 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68984 exp2_2rdr = exp2_2rdr*exp_2drsq
68985 r = r + dr
68986 END DO
68987
68988 ! C --> H
68989 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68990 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68991 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68992 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68993 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68994 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68995 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68996 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68997 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68998 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68999 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69000 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69001 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69002 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69003 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69004 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69005 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69006 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69007 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69008 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69009 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69010 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69011 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69012 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69013 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69014 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69015 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69016 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69017
69018 ! H --> HH
69019 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69020
69021 c1 = 1.0_dp/(zeta + zetb)
69022 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69023 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69024
69025 e_0_1_0 = zeta*( &
69026 +c2*e_0_0_0&
69027
69028 )
69029 e_0_0_1 = zetb*( &
69030 +c3*e_0_0_0&
69031
69032 )
69033 e_1_1_0 = zeta*( c1*e_0_0_0 &
69034
69035
69036 )
69037 e_1_0_1 = zetb*( c1*e_0_0_0 &
69038
69039
69040 )
69041 e_0_1_1 = zetb*( &
69042 +c3*e_0_1_0&
69043 +2*e_1_1_0 &
69044 )
69045 e_1_1_1 = zetb*( c1*e_0_1_0 &
69046 +c3*e_1_1_0&
69047
69048 )
69049 e_2_1_1 = zetb*( c1*e_1_1_0 &
69050
69051
69052 )
69053 e_0_1_1 = zeta*( &
69054 +c2*e_0_0_1&
69055 +2*e_1_0_1 &
69056 )
69057 e_0_0_2 = zetb*( &
69058 +c3*e_0_0_1&
69059 +2*e_1_0_1 &
69060 -2*e_0_0_0)
69061 e_1_1_1 = zeta*( c1*e_0_0_1 &
69062 +c2*e_1_0_1&
69063
69064 )
69065 e_1_0_2 = zetb*( c1*e_0_0_1 &
69066 +c3*e_1_0_1&
69067
69068 )
69069 e_2_1_1 = zeta*( c1*e_1_0_1 &
69070
69071
69072 )
69073 e_2_0_2 = zetb*( c1*e_1_0_1 &
69074
69075
69076 )
69077 e_0_1_2 = zetb*( &
69078 +c3*e_0_1_1&
69079 +2*e_1_1_1 &
69080 -2*e_0_1_0)
69081 e_1_1_2 = zetb*( c1*e_0_1_1 &
69082 +c3*e_1_1_1&
69083 +4*e_2_1_1 &
69084 -2*e_1_1_0)
69085 e_2_1_2 = zetb*( c1*e_1_1_1 &
69086 +c3*e_2_1_1&
69087
69088 )
69089 e_3_1_2 = zetb*( c1*e_2_1_1 &
69090
69091
69092 )
69093 e_0_1_2 = zeta*( &
69094 +c2*e_0_0_2&
69095 +2*e_1_0_2 &
69096 )
69097 e_0_0_3 = zetb*( &
69098 +c3*e_0_0_2&
69099 +2*e_1_0_2 &
69100 -4*e_0_0_1)
69101 e_1_1_2 = zeta*( c1*e_0_0_2 &
69102 +c2*e_1_0_2&
69103 +4*e_2_0_2 &
69104 )
69105 e_1_0_3 = zetb*( c1*e_0_0_2 &
69106 +c3*e_1_0_2&
69107 +4*e_2_0_2 &
69108 -4*e_1_0_1)
69109 e_2_1_2 = zeta*( c1*e_1_0_2 &
69110 +c2*e_2_0_2&
69111
69112 )
69113 e_2_0_3 = zetb*( c1*e_1_0_2 &
69114 +c3*e_2_0_2&
69115
69116 )
69117 e_3_1_2 = zeta*( c1*e_2_0_2 &
69118
69119
69120 )
69121 e_3_0_3 = zetb*( c1*e_2_0_2 &
69122
69123
69124 )
69125 e_0_1_3 = zetb*( &
69126 +c3*e_0_1_2&
69127 +2*e_1_1_2 &
69128 -4*e_0_1_1)
69129 e_1_1_3 = zetb*( c1*e_0_1_2 &
69130 +c3*e_1_1_2&
69131 +4*e_2_1_2 &
69132 -4*e_1_1_1)
69133 e_2_1_3 = zetb*( c1*e_1_1_2 &
69134 +c3*e_2_1_2&
69135 +6*e_3_1_2 &
69136 -4*e_2_1_1)
69137 e_3_1_3 = zetb*( c1*e_2_1_2 &
69138 +c3*e_3_1_2&
69139
69140 )
69141 e_4_1_3 = zetb*( c1*e_3_1_2 &
69142
69143
69144 )
69145 e_0_1_3 = zeta*( &
69146 +c2*e_0_0_3&
69147 +2*e_1_0_3 &
69148 )
69149 e_1_1_3 = zeta*( c1*e_0_0_3 &
69150 +c2*e_1_0_3&
69151 +4*e_2_0_3 &
69152 )
69153 e_2_1_3 = zeta*( c1*e_1_0_3 &
69154 +c2*e_2_0_3&
69155 +6*e_3_0_3 &
69156 )
69157 e_3_1_3 = zeta*( c1*e_2_0_3 &
69158 +c2*e_3_0_3&
69159
69160 )
69161 e_4_1_3 = zeta*( c1*e_3_0_3 &
69162
69163
69164 )
69165
69166 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69167 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69168 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
69169 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
69170 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
69171 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
69172 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
69173 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69174 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
69175 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
69176 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69177 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
69178 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
69179 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69180 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69181 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
69182 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
69183 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69184 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69185 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
69186 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
69187 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69188 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69189 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69190 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
69191 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
69192 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
69193 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
69194 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
69195 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
69196 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
69197 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69198 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
69199 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
69200 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69201 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
69202 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
69203 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69204 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69205 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
69206 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
69207 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69208 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69209 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
69210 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
69211 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69212 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69213 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69214 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
69215 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
69216 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
69217 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
69218 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
69219 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69220 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
69221 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
69222 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69223 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
69224 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
69225 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69226 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69227 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
69228 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
69229 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69230 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69231 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
69232 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
69233 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69234 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69235 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69236 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
69237 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
69238 r1 = r1 + dr
69239 END DO
69240
69241 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
69242 END SUBROUTINE
69243 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_3_exp_1 ( &
69244 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
69245 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
69246 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
69247 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
69248 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
69249 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
69250 r_pow_t, r_tmp, rr1_delta, rr2_delta
69251
69252 REAL(kind=dp) :: c1, c2, c3
69253 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
69254 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
69255 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
69256 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
69257 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
69258 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
69259 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
69260 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
69261
69262 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
69263
69264 dr = lgth
69265 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
69266
69267 s_r(:, :, :) = 0.0_dp
69268
69269 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
69270
69271 h_to_c_0_0 = sqrt(alpha/pi)
69272
69273 h_to_c_0_1 = 0.0_dp
69274 h_to_c_1_1 = +2*alpha*h_to_c_0_0
69275 h_to_c_0_2 = -1*h_to_c_1_1
69276 h_to_c_1_2 = +2*alpha*h_to_c_0_1
69277 h_to_c_2_2 = +2*alpha*h_to_c_1_1
69278 h_to_c_0_3 = -1*h_to_c_1_2
69279 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
69280 h_to_c_2_3 = +2*alpha*h_to_c_1_2
69281 h_to_c_3_3 = +2*alpha*h_to_c_2_2
69282 h_to_c_0_4 = -1*h_to_c_1_3
69283 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
69284 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
69285 h_to_c_3_4 = +2*alpha*h_to_c_2_3
69286 h_to_c_4_4 = +2*alpha*h_to_c_3_3
69287 h_to_c_0_5 = -1*h_to_c_1_4
69288 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
69289 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
69290 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
69291 h_to_c_4_5 = +2*alpha*h_to_c_3_4
69292 h_to_c_5_5 = +2*alpha*h_to_c_4_4
69293 h_to_c_0_6 = -1*h_to_c_1_5
69294 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
69295 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
69296 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
69297 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
69298 h_to_c_5_6 = +2*alpha*h_to_c_4_5
69299 h_to_c_6_6 = +2*alpha*h_to_c_5_5
69300 h_to_c_0_7 = -1*h_to_c_1_6
69301 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
69302 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
69303 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
69304 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
69305 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
69306 h_to_c_6_7 = +2*alpha*h_to_c_5_6
69307 h_to_c_7_7 = +2*alpha*h_to_c_6_6
69308
69309 exp_drsq = exp(-alpha*dr*dr)
69310 exp_2drsq = exp_drsq*exp_drsq
69311
69312 rr1_delta = (ra - rb)/dr
69313
69314 rr1_l = ceiling(-r_c(1) + rr1_delta)
69315 rr1_r = floor(r_c(1) + rr1_delta)
69316
69317 r1 = rr1_l*dr
69318
69319 alpha_e = zeta*zetb/(zeta + zetb)
69320
69321 DO rr1 = rr1_l, rr1_r
69322 s_r_t_0 = 0.0_dp
69323 s_r_t2_0 = 0.0_dp
69324 s_r_t_1 = 0.0_dp
69325 s_r_t2_1 = 0.0_dp
69326 s_r_t_2 = 0.0_dp
69327 s_r_t2_2 = 0.0_dp
69328 s_r_t_3 = 0.0_dp
69329 s_r_t2_3 = 0.0_dp
69330 s_r_t_4 = 0.0_dp
69331 s_r_t2_4 = 0.0_dp
69332 s_r_t_5 = 0.0_dp
69333 s_r_t2_5 = 0.0_dp
69334 s_r_t_6 = 0.0_dp
69335 s_r_t2_6 = 0.0_dp
69336 s_r_t_7 = 0.0_dp
69337 s_r_t2_7 = 0.0_dp
69338 r_tmp = r_offset + r1*zeta/(zeta + zetb)
69339 rr2_delta = -r_tmp/dr
69340
69341 rr2_l = ceiling(-r_c(2) + rr2_delta)
69342 rr2_r = floor(r_c(2) + rr2_delta)
69343
69344 r = r_tmp + (rr2_l)*dr
69345
69346 exp2_2rdr = exp(-2*alpha*r*dr)
69347 exp2_rsq = exp(-alpha*r*r)
69348
69349 DO rr2 = rr2_l, rr2_r
69350 r_pow_t = 1.0_dp
69351 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
69352 r_pow_t = r_pow_t*r
69353 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
69354 r_pow_t = r_pow_t*r
69355 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
69356 r_pow_t = r_pow_t*r
69357 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
69358 r_pow_t = r_pow_t*r
69359 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
69360 r_pow_t = r_pow_t*r
69361 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
69362 r_pow_t = r_pow_t*r
69363 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
69364 r_pow_t = r_pow_t*r
69365 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
69366
69367 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
69368 exp2_2rdr = exp2_2rdr*exp_2drsq
69369 r = r + dr
69370 END DO
69371
69372 ! C --> H
69373 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
69374 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
69375 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
69376 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
69377 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
69378 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
69379 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
69380 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
69381 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
69382 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
69383 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69384 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69385 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69386 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69387 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69388 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69389 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69390 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69391 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69392 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69393 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69394 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69395 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69396 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69397 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69398 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69399 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69400 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69401 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
69402 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
69403 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
69404 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
69405 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
69406 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
69407 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
69408 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
69409
69410 ! H --> HH
69411 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69412
69413 c1 = 1.0_dp/(zeta + zetb)
69414 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69415 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69416
69417 e_0_1_0 = zeta*( &
69418 +c2*e_0_0_0&
69419
69420 )
69421 e_0_0_1 = zetb*( &
69422 +c3*e_0_0_0&
69423
69424 )
69425 e_1_1_0 = zeta*( c1*e_0_0_0 &
69426
69427
69428 )
69429 e_1_0_1 = zetb*( c1*e_0_0_0 &
69430
69431
69432 )
69433 e_0_1_1 = zetb*( &
69434 +c3*e_0_1_0&
69435 +2*e_1_1_0 &
69436 )
69437 e_1_1_1 = zetb*( c1*e_0_1_0 &
69438 +c3*e_1_1_0&
69439
69440 )
69441 e_2_1_1 = zetb*( c1*e_1_1_0 &
69442
69443
69444 )
69445 e_0_1_1 = zeta*( &
69446 +c2*e_0_0_1&
69447 +2*e_1_0_1 &
69448 )
69449 e_0_0_2 = zetb*( &
69450 +c3*e_0_0_1&
69451 +2*e_1_0_1 &
69452 -2*e_0_0_0)
69453 e_1_1_1 = zeta*( c1*e_0_0_1 &
69454 +c2*e_1_0_1&
69455
69456 )
69457 e_1_0_2 = zetb*( c1*e_0_0_1 &
69458 +c3*e_1_0_1&
69459
69460 )
69461 e_2_1_1 = zeta*( c1*e_1_0_1 &
69462
69463
69464 )
69465 e_2_0_2 = zetb*( c1*e_1_0_1 &
69466
69467
69468 )
69469 e_0_1_2 = zetb*( &
69470 +c3*e_0_1_1&
69471 +2*e_1_1_1 &
69472 -2*e_0_1_0)
69473 e_1_1_2 = zetb*( c1*e_0_1_1 &
69474 +c3*e_1_1_1&
69475 +4*e_2_1_1 &
69476 -2*e_1_1_0)
69477 e_2_1_2 = zetb*( c1*e_1_1_1 &
69478 +c3*e_2_1_1&
69479
69480 )
69481 e_3_1_2 = zetb*( c1*e_2_1_1 &
69482
69483
69484 )
69485 e_0_1_2 = zeta*( &
69486 +c2*e_0_0_2&
69487 +2*e_1_0_2 &
69488 )
69489 e_0_0_3 = zetb*( &
69490 +c3*e_0_0_2&
69491 +2*e_1_0_2 &
69492 -4*e_0_0_1)
69493 e_1_1_2 = zeta*( c1*e_0_0_2 &
69494 +c2*e_1_0_2&
69495 +4*e_2_0_2 &
69496 )
69497 e_1_0_3 = zetb*( c1*e_0_0_2 &
69498 +c3*e_1_0_2&
69499 +4*e_2_0_2 &
69500 -4*e_1_0_1)
69501 e_2_1_2 = zeta*( c1*e_1_0_2 &
69502 +c2*e_2_0_2&
69503
69504 )
69505 e_2_0_3 = zetb*( c1*e_1_0_2 &
69506 +c3*e_2_0_2&
69507
69508 )
69509 e_3_1_2 = zeta*( c1*e_2_0_2 &
69510
69511
69512 )
69513 e_3_0_3 = zetb*( c1*e_2_0_2 &
69514
69515
69516 )
69517 e_0_1_3 = zetb*( &
69518 +c3*e_0_1_2&
69519 +2*e_1_1_2 &
69520 -4*e_0_1_1)
69521 e_1_1_3 = zetb*( c1*e_0_1_2 &
69522 +c3*e_1_1_2&
69523 +4*e_2_1_2 &
69524 -4*e_1_1_1)
69525 e_2_1_3 = zetb*( c1*e_1_1_2 &
69526 +c3*e_2_1_2&
69527 +6*e_3_1_2 &
69528 -4*e_2_1_1)
69529 e_3_1_3 = zetb*( c1*e_2_1_2 &
69530 +c3*e_3_1_2&
69531
69532 )
69533 e_4_1_3 = zetb*( c1*e_3_1_2 &
69534
69535
69536 )
69537 e_0_1_3 = zeta*( &
69538 +c2*e_0_0_3&
69539 +2*e_1_0_3 &
69540 )
69541 e_1_1_3 = zeta*( c1*e_0_0_3 &
69542 +c2*e_1_0_3&
69543 +4*e_2_0_3 &
69544 )
69545 e_2_1_3 = zeta*( c1*e_1_0_3 &
69546 +c2*e_2_0_3&
69547 +6*e_3_0_3 &
69548 )
69549 e_3_1_3 = zeta*( c1*e_2_0_3 &
69550 +c2*e_3_0_3&
69551
69552 )
69553 e_4_1_3 = zeta*( c1*e_3_0_3 &
69554
69555
69556 )
69557
69558 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69559 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69560 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
69561 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
69562 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
69563 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
69564 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
69565 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69566 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
69567 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
69568 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69569 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
69570 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
69571 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69572 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69573 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
69574 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
69575 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69576 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69577 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
69578 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
69579 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69580 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69581 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69582 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
69583 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
69584 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
69585 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
69586 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
69587 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
69588 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
69589 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69590 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
69591 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
69592 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69593 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
69594 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
69595 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69596 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69597 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
69598 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
69599 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69600 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69601 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
69602 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
69603 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69604 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69605 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69606 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
69607 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
69608 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
69609 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
69610 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
69611 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69612 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
69613 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
69614 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69615 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
69616 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
69617 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69618 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69619 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
69620 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
69621 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69622 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69623 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
69624 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
69625 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69626 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69627 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69628 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
69629 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
69630 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
69631 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
69632 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
69633 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
69634 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
69635 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69636 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
69637 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
69638 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69639 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
69640 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
69641 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69642 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69643 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
69644 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
69645 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69646 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69647 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
69648 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
69649 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69650 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69651 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69652 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
69653 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
69654 r1 = r1 + dr
69655 END DO
69656
69657 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
69658 END SUBROUTINE
69659 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_4_exp_1 ( &
69660 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
69661 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
69662 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
69663 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
69664 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
69665 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
69666 r_pow_t, r_tmp, rr1_delta, rr2_delta
69667
69668 REAL(kind=dp) :: c1, c2, c3
69669 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
69670 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
69671 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
69672 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
69673 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
69674 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
69675 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
69676 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
69677 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
69678
69679 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
69680
69681 dr = lgth
69682 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
69683
69684 s_r(:, :, :) = 0.0_dp
69685
69686 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
69687
69688 h_to_c_0_0 = sqrt(alpha/pi)
69689
69690 h_to_c_0_1 = 0.0_dp
69691 h_to_c_1_1 = +2*alpha*h_to_c_0_0
69692 h_to_c_0_2 = -1*h_to_c_1_1
69693 h_to_c_1_2 = +2*alpha*h_to_c_0_1
69694 h_to_c_2_2 = +2*alpha*h_to_c_1_1
69695 h_to_c_0_3 = -1*h_to_c_1_2
69696 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
69697 h_to_c_2_3 = +2*alpha*h_to_c_1_2
69698 h_to_c_3_3 = +2*alpha*h_to_c_2_2
69699 h_to_c_0_4 = -1*h_to_c_1_3
69700 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
69701 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
69702 h_to_c_3_4 = +2*alpha*h_to_c_2_3
69703 h_to_c_4_4 = +2*alpha*h_to_c_3_3
69704 h_to_c_0_5 = -1*h_to_c_1_4
69705 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
69706 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
69707 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
69708 h_to_c_4_5 = +2*alpha*h_to_c_3_4
69709 h_to_c_5_5 = +2*alpha*h_to_c_4_4
69710 h_to_c_0_6 = -1*h_to_c_1_5
69711 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
69712 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
69713 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
69714 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
69715 h_to_c_5_6 = +2*alpha*h_to_c_4_5
69716 h_to_c_6_6 = +2*alpha*h_to_c_5_5
69717 h_to_c_0_7 = -1*h_to_c_1_6
69718 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
69719 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
69720 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
69721 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
69722 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
69723 h_to_c_6_7 = +2*alpha*h_to_c_5_6
69724 h_to_c_7_7 = +2*alpha*h_to_c_6_6
69725 h_to_c_0_8 = -1*h_to_c_1_7
69726 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
69727 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
69728 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
69729 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
69730 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
69731 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
69732 h_to_c_7_8 = +2*alpha*h_to_c_6_7
69733 h_to_c_8_8 = +2*alpha*h_to_c_7_7
69734
69735 exp_drsq = exp(-alpha*dr*dr)
69736 exp_2drsq = exp_drsq*exp_drsq
69737
69738 rr1_delta = (ra - rb)/dr
69739
69740 rr1_l = ceiling(-r_c(1) + rr1_delta)
69741 rr1_r = floor(r_c(1) + rr1_delta)
69742
69743 r1 = rr1_l*dr
69744
69745 alpha_e = zeta*zetb/(zeta + zetb)
69746
69747 DO rr1 = rr1_l, rr1_r
69748 s_r_t_0 = 0.0_dp
69749 s_r_t2_0 = 0.0_dp
69750 s_r_t_1 = 0.0_dp
69751 s_r_t2_1 = 0.0_dp
69752 s_r_t_2 = 0.0_dp
69753 s_r_t2_2 = 0.0_dp
69754 s_r_t_3 = 0.0_dp
69755 s_r_t2_3 = 0.0_dp
69756 s_r_t_4 = 0.0_dp
69757 s_r_t2_4 = 0.0_dp
69758 s_r_t_5 = 0.0_dp
69759 s_r_t2_5 = 0.0_dp
69760 s_r_t_6 = 0.0_dp
69761 s_r_t2_6 = 0.0_dp
69762 s_r_t_7 = 0.0_dp
69763 s_r_t2_7 = 0.0_dp
69764 s_r_t_8 = 0.0_dp
69765 s_r_t2_8 = 0.0_dp
69766 r_tmp = r_offset + r1*zeta/(zeta + zetb)
69767 rr2_delta = -r_tmp/dr
69768
69769 rr2_l = ceiling(-r_c(2) + rr2_delta)
69770 rr2_r = floor(r_c(2) + rr2_delta)
69771
69772 r = r_tmp + (rr2_l)*dr
69773
69774 exp2_2rdr = exp(-2*alpha*r*dr)
69775 exp2_rsq = exp(-alpha*r*r)
69776
69777 DO rr2 = rr2_l, rr2_r
69778 r_pow_t = 1.0_dp
69779 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
69780 r_pow_t = r_pow_t*r
69781 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
69782 r_pow_t = r_pow_t*r
69783 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
69784 r_pow_t = r_pow_t*r
69785 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
69786 r_pow_t = r_pow_t*r
69787 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
69788 r_pow_t = r_pow_t*r
69789 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
69790 r_pow_t = r_pow_t*r
69791 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
69792 r_pow_t = r_pow_t*r
69793 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
69794 r_pow_t = r_pow_t*r
69795 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
69796
69797 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
69798 exp2_2rdr = exp2_2rdr*exp_2drsq
69799 r = r + dr
69800 END DO
69801
69802 ! C --> H
69803 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
69804 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
69805 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
69806 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
69807 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
69808 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
69809 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
69810 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
69811 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
69812 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
69813 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69814 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69815 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69816 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69817 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69818 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69819 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69820 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69821 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69822 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69823 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69824 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69825 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69826 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69827 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69828 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69829 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69830 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69831 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
69832 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
69833 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
69834 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
69835 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
69836 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
69837 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
69838 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
69839 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
69840 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
69841 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
69842 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
69843 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
69844 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
69845 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
69846 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
69847 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
69848
69849 ! H --> HH
69850 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69851
69852 c1 = 1.0_dp/(zeta + zetb)
69853 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69854 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69855
69856 e_0_1_0 = zeta*( &
69857 +c2*e_0_0_0&
69858
69859 )
69860 e_0_0_1 = zetb*( &
69861 +c3*e_0_0_0&
69862
69863 )
69864 e_1_1_0 = zeta*( c1*e_0_0_0 &
69865
69866
69867 )
69868 e_1_0_1 = zetb*( c1*e_0_0_0 &
69869
69870
69871 )
69872 e_0_1_1 = zetb*( &
69873 +c3*e_0_1_0&
69874 +2*e_1_1_0 &
69875 )
69876 e_1_1_1 = zetb*( c1*e_0_1_0 &
69877 +c3*e_1_1_0&
69878
69879 )
69880 e_2_1_1 = zetb*( c1*e_1_1_0 &
69881
69882
69883 )
69884 e_0_1_1 = zeta*( &
69885 +c2*e_0_0_1&
69886 +2*e_1_0_1 &
69887 )
69888 e_0_0_2 = zetb*( &
69889 +c3*e_0_0_1&
69890 +2*e_1_0_1 &
69891 -2*e_0_0_0)
69892 e_1_1_1 = zeta*( c1*e_0_0_1 &
69893 +c2*e_1_0_1&
69894
69895 )
69896 e_1_0_2 = zetb*( c1*e_0_0_1 &
69897 +c3*e_1_0_1&
69898
69899 )
69900 e_2_1_1 = zeta*( c1*e_1_0_1 &
69901
69902
69903 )
69904 e_2_0_2 = zetb*( c1*e_1_0_1 &
69905
69906
69907 )
69908 e_0_1_2 = zetb*( &
69909 +c3*e_0_1_1&
69910 +2*e_1_1_1 &
69911 -2*e_0_1_0)
69912 e_1_1_2 = zetb*( c1*e_0_1_1 &
69913 +c3*e_1_1_1&
69914 +4*e_2_1_1 &
69915 -2*e_1_1_0)
69916 e_2_1_2 = zetb*( c1*e_1_1_1 &
69917 +c3*e_2_1_1&
69918
69919 )
69920 e_3_1_2 = zetb*( c1*e_2_1_1 &
69921
69922
69923 )
69924 e_0_1_2 = zeta*( &
69925 +c2*e_0_0_2&
69926 +2*e_1_0_2 &
69927 )
69928 e_0_0_3 = zetb*( &
69929 +c3*e_0_0_2&
69930 +2*e_1_0_2 &
69931 -4*e_0_0_1)
69932 e_1_1_2 = zeta*( c1*e_0_0_2 &
69933 +c2*e_1_0_2&
69934 +4*e_2_0_2 &
69935 )
69936 e_1_0_3 = zetb*( c1*e_0_0_2 &
69937 +c3*e_1_0_2&
69938 +4*e_2_0_2 &
69939 -4*e_1_0_1)
69940 e_2_1_2 = zeta*( c1*e_1_0_2 &
69941 +c2*e_2_0_2&
69942
69943 )
69944 e_2_0_3 = zetb*( c1*e_1_0_2 &
69945 +c3*e_2_0_2&
69946
69947 )
69948 e_3_1_2 = zeta*( c1*e_2_0_2 &
69949
69950
69951 )
69952 e_3_0_3 = zetb*( c1*e_2_0_2 &
69953
69954
69955 )
69956 e_0_1_3 = zetb*( &
69957 +c3*e_0_1_2&
69958 +2*e_1_1_2 &
69959 -4*e_0_1_1)
69960 e_1_1_3 = zetb*( c1*e_0_1_2 &
69961 +c3*e_1_1_2&
69962 +4*e_2_1_2 &
69963 -4*e_1_1_1)
69964 e_2_1_3 = zetb*( c1*e_1_1_2 &
69965 +c3*e_2_1_2&
69966 +6*e_3_1_2 &
69967 -4*e_2_1_1)
69968 e_3_1_3 = zetb*( c1*e_2_1_2 &
69969 +c3*e_3_1_2&
69970
69971 )
69972 e_4_1_3 = zetb*( c1*e_3_1_2 &
69973
69974
69975 )
69976 e_0_1_3 = zeta*( &
69977 +c2*e_0_0_3&
69978 +2*e_1_0_3 &
69979 )
69980 e_1_1_3 = zeta*( c1*e_0_0_3 &
69981 +c2*e_1_0_3&
69982 +4*e_2_0_3 &
69983 )
69984 e_2_1_3 = zeta*( c1*e_1_0_3 &
69985 +c2*e_2_0_3&
69986 +6*e_3_0_3 &
69987 )
69988 e_3_1_3 = zeta*( c1*e_2_0_3 &
69989 +c2*e_3_0_3&
69990
69991 )
69992 e_4_1_3 = zeta*( c1*e_3_0_3 &
69993
69994
69995 )
69996
69997 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69998 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69999 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70000 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70001 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70002 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70003 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70004 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70005 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70006 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70007 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70008 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70009 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70010 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70011 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70012 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70013 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70014 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70015 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70016 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70017 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70018 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70019 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70020 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70021 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
70022 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
70023 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
70024 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
70025 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
70026 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
70027 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
70028 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70029 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
70030 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
70031 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70032 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
70033 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
70034 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70035 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70036 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
70037 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
70038 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70039 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70040 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
70041 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
70042 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70043 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70044 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70045 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
70046 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
70047 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
70048 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
70049 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
70050 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70051 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
70052 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
70053 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70054 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
70055 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
70056 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70057 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70058 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
70059 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
70060 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70061 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70062 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
70063 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
70064 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70065 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70066 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70067 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
70068 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
70069 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
70070 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
70071 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
70072 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
70073 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
70074 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70075 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
70076 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
70077 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70078 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
70079 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
70080 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70081 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70082 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
70083 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
70084 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70085 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70086 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
70087 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
70088 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70089 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70090 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70091 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
70092 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
70093 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
70094 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
70095 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
70096 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
70097 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
70098 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
70099 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
70100 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
70101 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
70102 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
70103 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
70104 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
70105 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
70106 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
70107 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
70108 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
70109 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
70110 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
70111 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
70112 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70113 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
70114 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
70115 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
70116 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
70117 r1 = r1 + dr
70118 END DO
70119
70120 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70121 END SUBROUTINE
70122 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_0_exp_1 ( &
70123 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70124 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70125 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70126 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70127 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70128 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70129 r_pow_t, r_tmp, rr1_delta, rr2_delta
70130
70131 REAL(kind=dp) :: c1, c2, c3
70132 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
70133 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
70134 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70135 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70136 & h_to_c_4_5, h_to_c_5_5
70137 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70138 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70139 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70140
70141 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70142
70143 dr = lgth
70144 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70145
70146 s_r(:, :, :) = 0.0_dp
70147
70148 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70149
70150 h_to_c_0_0 = sqrt(alpha/pi)
70151
70152 h_to_c_0_1 = 0.0_dp
70153 h_to_c_1_1 = +2*alpha*h_to_c_0_0
70154 h_to_c_0_2 = -1*h_to_c_1_1
70155 h_to_c_1_2 = +2*alpha*h_to_c_0_1
70156 h_to_c_2_2 = +2*alpha*h_to_c_1_1
70157 h_to_c_0_3 = -1*h_to_c_1_2
70158 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70159 h_to_c_2_3 = +2*alpha*h_to_c_1_2
70160 h_to_c_3_3 = +2*alpha*h_to_c_2_2
70161 h_to_c_0_4 = -1*h_to_c_1_3
70162 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70163 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70164 h_to_c_3_4 = +2*alpha*h_to_c_2_3
70165 h_to_c_4_4 = +2*alpha*h_to_c_3_3
70166 h_to_c_0_5 = -1*h_to_c_1_4
70167 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70168 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70169 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70170 h_to_c_4_5 = +2*alpha*h_to_c_3_4
70171 h_to_c_5_5 = +2*alpha*h_to_c_4_4
70172
70173 exp_drsq = exp(-alpha*dr*dr)
70174 exp_2drsq = exp_drsq*exp_drsq
70175
70176 rr1_delta = (ra - rb)/dr
70177
70178 rr1_l = ceiling(-r_c(1) + rr1_delta)
70179 rr1_r = floor(r_c(1) + rr1_delta)
70180
70181 r1 = rr1_l*dr
70182
70183 alpha_e = zeta*zetb/(zeta + zetb)
70184
70185 DO rr1 = rr1_l, rr1_r
70186 s_r_t_0 = 0.0_dp
70187 s_r_t2_0 = 0.0_dp
70188 s_r_t_1 = 0.0_dp
70189 s_r_t2_1 = 0.0_dp
70190 s_r_t_2 = 0.0_dp
70191 s_r_t2_2 = 0.0_dp
70192 s_r_t_3 = 0.0_dp
70193 s_r_t2_3 = 0.0_dp
70194 s_r_t_4 = 0.0_dp
70195 s_r_t2_4 = 0.0_dp
70196 s_r_t_5 = 0.0_dp
70197 s_r_t2_5 = 0.0_dp
70198 r_tmp = r_offset + r1*zeta/(zeta + zetb)
70199 rr2_delta = -r_tmp/dr
70200
70201 rr2_l = ceiling(-r_c(2) + rr2_delta)
70202 rr2_r = floor(r_c(2) + rr2_delta)
70203
70204 r = r_tmp + (rr2_l)*dr
70205
70206 exp2_2rdr = exp(-2*alpha*r*dr)
70207 exp2_rsq = exp(-alpha*r*r)
70208
70209 DO rr2 = rr2_l, rr2_r
70210 r_pow_t = 1.0_dp
70211 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
70212 r_pow_t = r_pow_t*r
70213 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
70214 r_pow_t = r_pow_t*r
70215 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
70216 r_pow_t = r_pow_t*r
70217 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
70218 r_pow_t = r_pow_t*r
70219 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
70220 r_pow_t = r_pow_t*r
70221 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
70222
70223 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
70224 exp2_2rdr = exp2_2rdr*exp_2drsq
70225 r = r + dr
70226 END DO
70227
70228 ! C --> H
70229 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
70230 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
70231 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
70232 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
70233 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
70234 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
70235 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
70236 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
70237 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
70238 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
70239 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
70240 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
70241 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
70242 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
70243 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
70244 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
70245 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
70246 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
70247 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
70248 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
70249 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
70250
70251 ! H --> HH
70252 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
70253
70254 c1 = 1.0_dp/(zeta + zetb)
70255 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
70256 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
70257
70258 e_0_1_0 = zeta*( &
70259 +c2*e_0_0_0&
70260
70261 )
70262 e_0_0_1 = zetb*( &
70263 +c3*e_0_0_0&
70264
70265 )
70266 e_1_1_0 = zeta*( c1*e_0_0_0 &
70267
70268
70269 )
70270 e_1_0_1 = zetb*( c1*e_0_0_0 &
70271
70272
70273 )
70274 e_0_1_1 = zetb*( &
70275 +c3*e_0_1_0&
70276 +2*e_1_1_0 &
70277 )
70278 e_1_1_1 = zetb*( c1*e_0_1_0 &
70279 +c3*e_1_1_0&
70280
70281 )
70282 e_2_1_1 = zetb*( c1*e_1_1_0 &
70283
70284
70285 )
70286 e_0_1_1 = zeta*( &
70287 +c2*e_0_0_1&
70288 +2*e_1_0_1 &
70289 )
70290 e_0_0_2 = zetb*( &
70291 +c3*e_0_0_1&
70292 +2*e_1_0_1 &
70293 -2*e_0_0_0)
70294 e_1_1_1 = zeta*( c1*e_0_0_1 &
70295 +c2*e_1_0_1&
70296
70297 )
70298 e_1_0_2 = zetb*( c1*e_0_0_1 &
70299 +c3*e_1_0_1&
70300
70301 )
70302 e_2_1_1 = zeta*( c1*e_1_0_1 &
70303
70304
70305 )
70306 e_2_0_2 = zetb*( c1*e_1_0_1 &
70307
70308
70309 )
70310 e_0_1_2 = zetb*( &
70311 +c3*e_0_1_1&
70312 +2*e_1_1_1 &
70313 -2*e_0_1_0)
70314 e_1_1_2 = zetb*( c1*e_0_1_1 &
70315 +c3*e_1_1_1&
70316 +4*e_2_1_1 &
70317 -2*e_1_1_0)
70318 e_2_1_2 = zetb*( c1*e_1_1_1 &
70319 +c3*e_2_1_1&
70320
70321 )
70322 e_3_1_2 = zetb*( c1*e_2_1_1 &
70323
70324
70325 )
70326 e_0_1_2 = zeta*( &
70327 +c2*e_0_0_2&
70328 +2*e_1_0_2 &
70329 )
70330 e_0_0_3 = zetb*( &
70331 +c3*e_0_0_2&
70332 +2*e_1_0_2 &
70333 -4*e_0_0_1)
70334 e_1_1_2 = zeta*( c1*e_0_0_2 &
70335 +c2*e_1_0_2&
70336 +4*e_2_0_2 &
70337 )
70338 e_1_0_3 = zetb*( c1*e_0_0_2 &
70339 +c3*e_1_0_2&
70340 +4*e_2_0_2 &
70341 -4*e_1_0_1)
70342 e_2_1_2 = zeta*( c1*e_1_0_2 &
70343 +c2*e_2_0_2&
70344
70345 )
70346 e_2_0_3 = zetb*( c1*e_1_0_2 &
70347 +c3*e_2_0_2&
70348
70349 )
70350 e_3_1_2 = zeta*( c1*e_2_0_2 &
70351
70352
70353 )
70354 e_3_0_3 = zetb*( c1*e_2_0_2 &
70355
70356
70357 )
70358 e_0_1_3 = zetb*( &
70359 +c3*e_0_1_2&
70360 +2*e_1_1_2 &
70361 -4*e_0_1_1)
70362 e_1_1_3 = zetb*( c1*e_0_1_2 &
70363 +c3*e_1_1_2&
70364 +4*e_2_1_2 &
70365 -4*e_1_1_1)
70366 e_2_1_3 = zetb*( c1*e_1_1_2 &
70367 +c3*e_2_1_2&
70368 +6*e_3_1_2 &
70369 -4*e_2_1_1)
70370 e_3_1_3 = zetb*( c1*e_2_1_2 &
70371 +c3*e_3_1_2&
70372
70373 )
70374 e_4_1_3 = zetb*( c1*e_3_1_2 &
70375
70376
70377 )
70378 e_0_1_3 = zeta*( &
70379 +c2*e_0_0_3&
70380 +2*e_1_0_3 &
70381 )
70382 e_0_0_4 = zetb*( &
70383 +c3*e_0_0_3&
70384 +2*e_1_0_3 &
70385 -6*e_0_0_2)
70386 e_1_1_3 = zeta*( c1*e_0_0_3 &
70387 +c2*e_1_0_3&
70388 +4*e_2_0_3 &
70389 )
70390 e_1_0_4 = zetb*( c1*e_0_0_3 &
70391 +c3*e_1_0_3&
70392 +4*e_2_0_3 &
70393 -6*e_1_0_2)
70394 e_2_1_3 = zeta*( c1*e_1_0_3 &
70395 +c2*e_2_0_3&
70396 +6*e_3_0_3 &
70397 )
70398 e_2_0_4 = zetb*( c1*e_1_0_3 &
70399 +c3*e_2_0_3&
70400 +6*e_3_0_3 &
70401 -6*e_2_0_2)
70402 e_3_1_3 = zeta*( c1*e_2_0_3 &
70403 +c2*e_3_0_3&
70404
70405 )
70406 e_3_0_4 = zetb*( c1*e_2_0_3 &
70407 +c3*e_3_0_3&
70408
70409 )
70410 e_4_1_3 = zeta*( c1*e_3_0_3 &
70411
70412
70413 )
70414 e_4_0_4 = zetb*( c1*e_3_0_3 &
70415
70416
70417 )
70418 e_0_1_4 = zetb*( &
70419 +c3*e_0_1_3&
70420 +2*e_1_1_3 &
70421 -6*e_0_1_2)
70422 e_1_1_4 = zetb*( c1*e_0_1_3 &
70423 +c3*e_1_1_3&
70424 +4*e_2_1_3 &
70425 -6*e_1_1_2)
70426 e_2_1_4 = zetb*( c1*e_1_1_3 &
70427 +c3*e_2_1_3&
70428 +6*e_3_1_3 &
70429 -6*e_2_1_2)
70430 e_3_1_4 = zetb*( c1*e_2_1_3 &
70431 +c3*e_3_1_3&
70432 +8*e_4_1_3 &
70433 -6*e_3_1_2)
70434 e_4_1_4 = zetb*( c1*e_3_1_3 &
70435 +c3*e_4_1_3&
70436
70437 )
70438 e_5_1_4 = zetb*( c1*e_4_1_3 &
70439
70440
70441 )
70442 e_0_1_4 = zeta*( &
70443 +c2*e_0_0_4&
70444 +2*e_1_0_4 &
70445 )
70446 e_1_1_4 = zeta*( c1*e_0_0_4 &
70447 +c2*e_1_0_4&
70448 +4*e_2_0_4 &
70449 )
70450 e_2_1_4 = zeta*( c1*e_1_0_4 &
70451 +c2*e_2_0_4&
70452 +6*e_3_0_4 &
70453 )
70454 e_3_1_4 = zeta*( c1*e_2_0_4 &
70455 +c2*e_3_0_4&
70456 +8*e_4_0_4 &
70457 )
70458 e_4_1_4 = zeta*( c1*e_3_0_4 &
70459 +c2*e_4_0_4&
70460
70461 )
70462 e_5_1_4 = zeta*( c1*e_4_0_4 &
70463
70464
70465 )
70466
70467 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
70468 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
70469 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70470 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70471 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70472 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70473 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70474 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70475 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70476 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70477 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70478 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70479 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70480 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70481 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70482 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70483 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70484 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70485 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70486 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70487 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70488 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70489 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70490 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70491 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
70492 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
70493 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
70494 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
70495 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
70496 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
70497 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
70498 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
70499 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
70500 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
70501 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
70502 r1 = r1 + dr
70503 END DO
70504
70505 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70506 END SUBROUTINE
70507 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_1_exp_1 ( &
70508 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70509 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70510 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70511 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70512 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70513 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70514 r_pow_t, r_tmp, rr1_delta, rr2_delta
70515
70516 REAL(kind=dp) :: c1, c2, c3
70517 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
70518 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
70519 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70520 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70521 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
70522 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70523 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70524 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70525
70526 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70527
70528 dr = lgth
70529 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70530
70531 s_r(:, :, :) = 0.0_dp
70532
70533 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70534
70535 h_to_c_0_0 = sqrt(alpha/pi)
70536
70537 h_to_c_0_1 = 0.0_dp
70538 h_to_c_1_1 = +2*alpha*h_to_c_0_0
70539 h_to_c_0_2 = -1*h_to_c_1_1
70540 h_to_c_1_2 = +2*alpha*h_to_c_0_1
70541 h_to_c_2_2 = +2*alpha*h_to_c_1_1
70542 h_to_c_0_3 = -1*h_to_c_1_2
70543 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70544 h_to_c_2_3 = +2*alpha*h_to_c_1_2
70545 h_to_c_3_3 = +2*alpha*h_to_c_2_2
70546 h_to_c_0_4 = -1*h_to_c_1_3
70547 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70548 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70549 h_to_c_3_4 = +2*alpha*h_to_c_2_3
70550 h_to_c_4_4 = +2*alpha*h_to_c_3_3
70551 h_to_c_0_5 = -1*h_to_c_1_4
70552 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70553 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70554 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70555 h_to_c_4_5 = +2*alpha*h_to_c_3_4
70556 h_to_c_5_5 = +2*alpha*h_to_c_4_4
70557 h_to_c_0_6 = -1*h_to_c_1_5
70558 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
70559 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
70560 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
70561 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
70562 h_to_c_5_6 = +2*alpha*h_to_c_4_5
70563 h_to_c_6_6 = +2*alpha*h_to_c_5_5
70564
70565 exp_drsq = exp(-alpha*dr*dr)
70566 exp_2drsq = exp_drsq*exp_drsq
70567
70568 rr1_delta = (ra - rb)/dr
70569
70570 rr1_l = ceiling(-r_c(1) + rr1_delta)
70571 rr1_r = floor(r_c(1) + rr1_delta)
70572
70573 r1 = rr1_l*dr
70574
70575 alpha_e = zeta*zetb/(zeta + zetb)
70576
70577 DO rr1 = rr1_l, rr1_r
70578 s_r_t_0 = 0.0_dp
70579 s_r_t2_0 = 0.0_dp
70580 s_r_t_1 = 0.0_dp
70581 s_r_t2_1 = 0.0_dp
70582 s_r_t_2 = 0.0_dp
70583 s_r_t2_2 = 0.0_dp
70584 s_r_t_3 = 0.0_dp
70585 s_r_t2_3 = 0.0_dp
70586 s_r_t_4 = 0.0_dp
70587 s_r_t2_4 = 0.0_dp
70588 s_r_t_5 = 0.0_dp
70589 s_r_t2_5 = 0.0_dp
70590 s_r_t_6 = 0.0_dp
70591 s_r_t2_6 = 0.0_dp
70592 r_tmp = r_offset + r1*zeta/(zeta + zetb)
70593 rr2_delta = -r_tmp/dr
70594
70595 rr2_l = ceiling(-r_c(2) + rr2_delta)
70596 rr2_r = floor(r_c(2) + rr2_delta)
70597
70598 r = r_tmp + (rr2_l)*dr
70599
70600 exp2_2rdr = exp(-2*alpha*r*dr)
70601 exp2_rsq = exp(-alpha*r*r)
70602
70603 DO rr2 = rr2_l, rr2_r
70604 r_pow_t = 1.0_dp
70605 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
70606 r_pow_t = r_pow_t*r
70607 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
70608 r_pow_t = r_pow_t*r
70609 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
70610 r_pow_t = r_pow_t*r
70611 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
70612 r_pow_t = r_pow_t*r
70613 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
70614 r_pow_t = r_pow_t*r
70615 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
70616 r_pow_t = r_pow_t*r
70617 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
70618
70619 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
70620 exp2_2rdr = exp2_2rdr*exp_2drsq
70621 r = r + dr
70622 END DO
70623
70624 ! C --> H
70625 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
70626 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
70627 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
70628 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
70629 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
70630 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
70631 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
70632 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
70633 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
70634 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
70635 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
70636 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
70637 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
70638 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
70639 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
70640 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
70641 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
70642 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
70643 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
70644 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
70645 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
70646 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
70647 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
70648 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
70649 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
70650 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
70651 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
70652 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
70653
70654 ! H --> HH
70655 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
70656
70657 c1 = 1.0_dp/(zeta + zetb)
70658 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
70659 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
70660
70661 e_0_1_0 = zeta*( &
70662 +c2*e_0_0_0&
70663
70664 )
70665 e_0_0_1 = zetb*( &
70666 +c3*e_0_0_0&
70667
70668 )
70669 e_1_1_0 = zeta*( c1*e_0_0_0 &
70670
70671
70672 )
70673 e_1_0_1 = zetb*( c1*e_0_0_0 &
70674
70675
70676 )
70677 e_0_1_1 = zetb*( &
70678 +c3*e_0_1_0&
70679 +2*e_1_1_0 &
70680 )
70681 e_1_1_1 = zetb*( c1*e_0_1_0 &
70682 +c3*e_1_1_0&
70683
70684 )
70685 e_2_1_1 = zetb*( c1*e_1_1_0 &
70686
70687
70688 )
70689 e_0_1_1 = zeta*( &
70690 +c2*e_0_0_1&
70691 +2*e_1_0_1 &
70692 )
70693 e_0_0_2 = zetb*( &
70694 +c3*e_0_0_1&
70695 +2*e_1_0_1 &
70696 -2*e_0_0_0)
70697 e_1_1_1 = zeta*( c1*e_0_0_1 &
70698 +c2*e_1_0_1&
70699
70700 )
70701 e_1_0_2 = zetb*( c1*e_0_0_1 &
70702 +c3*e_1_0_1&
70703
70704 )
70705 e_2_1_1 = zeta*( c1*e_1_0_1 &
70706
70707
70708 )
70709 e_2_0_2 = zetb*( c1*e_1_0_1 &
70710
70711
70712 )
70713 e_0_1_2 = zetb*( &
70714 +c3*e_0_1_1&
70715 +2*e_1_1_1 &
70716 -2*e_0_1_0)
70717 e_1_1_2 = zetb*( c1*e_0_1_1 &
70718 +c3*e_1_1_1&
70719 +4*e_2_1_1 &
70720 -2*e_1_1_0)
70721 e_2_1_2 = zetb*( c1*e_1_1_1 &
70722 +c3*e_2_1_1&
70723
70724 )
70725 e_3_1_2 = zetb*( c1*e_2_1_1 &
70726
70727
70728 )
70729 e_0_1_2 = zeta*( &
70730 +c2*e_0_0_2&
70731 +2*e_1_0_2 &
70732 )
70733 e_0_0_3 = zetb*( &
70734 +c3*e_0_0_2&
70735 +2*e_1_0_2 &
70736 -4*e_0_0_1)
70737 e_1_1_2 = zeta*( c1*e_0_0_2 &
70738 +c2*e_1_0_2&
70739 +4*e_2_0_2 &
70740 )
70741 e_1_0_3 = zetb*( c1*e_0_0_2 &
70742 +c3*e_1_0_2&
70743 +4*e_2_0_2 &
70744 -4*e_1_0_1)
70745 e_2_1_2 = zeta*( c1*e_1_0_2 &
70746 +c2*e_2_0_2&
70747
70748 )
70749 e_2_0_3 = zetb*( c1*e_1_0_2 &
70750 +c3*e_2_0_2&
70751
70752 )
70753 e_3_1_2 = zeta*( c1*e_2_0_2 &
70754
70755
70756 )
70757 e_3_0_3 = zetb*( c1*e_2_0_2 &
70758
70759
70760 )
70761 e_0_1_3 = zetb*( &
70762 +c3*e_0_1_2&
70763 +2*e_1_1_2 &
70764 -4*e_0_1_1)
70765 e_1_1_3 = zetb*( c1*e_0_1_2 &
70766 +c3*e_1_1_2&
70767 +4*e_2_1_2 &
70768 -4*e_1_1_1)
70769 e_2_1_3 = zetb*( c1*e_1_1_2 &
70770 +c3*e_2_1_2&
70771 +6*e_3_1_2 &
70772 -4*e_2_1_1)
70773 e_3_1_3 = zetb*( c1*e_2_1_2 &
70774 +c3*e_3_1_2&
70775
70776 )
70777 e_4_1_3 = zetb*( c1*e_3_1_2 &
70778
70779
70780 )
70781 e_0_1_3 = zeta*( &
70782 +c2*e_0_0_3&
70783 +2*e_1_0_3 &
70784 )
70785 e_0_0_4 = zetb*( &
70786 +c3*e_0_0_3&
70787 +2*e_1_0_3 &
70788 -6*e_0_0_2)
70789 e_1_1_3 = zeta*( c1*e_0_0_3 &
70790 +c2*e_1_0_3&
70791 +4*e_2_0_3 &
70792 )
70793 e_1_0_4 = zetb*( c1*e_0_0_3 &
70794 +c3*e_1_0_3&
70795 +4*e_2_0_3 &
70796 -6*e_1_0_2)
70797 e_2_1_3 = zeta*( c1*e_1_0_3 &
70798 +c2*e_2_0_3&
70799 +6*e_3_0_3 &
70800 )
70801 e_2_0_4 = zetb*( c1*e_1_0_3 &
70802 +c3*e_2_0_3&
70803 +6*e_3_0_3 &
70804 -6*e_2_0_2)
70805 e_3_1_3 = zeta*( c1*e_2_0_3 &
70806 +c2*e_3_0_3&
70807
70808 )
70809 e_3_0_4 = zetb*( c1*e_2_0_3 &
70810 +c3*e_3_0_3&
70811
70812 )
70813 e_4_1_3 = zeta*( c1*e_3_0_3 &
70814
70815
70816 )
70817 e_4_0_4 = zetb*( c1*e_3_0_3 &
70818
70819
70820 )
70821 e_0_1_4 = zetb*( &
70822 +c3*e_0_1_3&
70823 +2*e_1_1_3 &
70824 -6*e_0_1_2)
70825 e_1_1_4 = zetb*( c1*e_0_1_3 &
70826 +c3*e_1_1_3&
70827 +4*e_2_1_3 &
70828 -6*e_1_1_2)
70829 e_2_1_4 = zetb*( c1*e_1_1_3 &
70830 +c3*e_2_1_3&
70831 +6*e_3_1_3 &
70832 -6*e_2_1_2)
70833 e_3_1_4 = zetb*( c1*e_2_1_3 &
70834 +c3*e_3_1_3&
70835 +8*e_4_1_3 &
70836 -6*e_3_1_2)
70837 e_4_1_4 = zetb*( c1*e_3_1_3 &
70838 +c3*e_4_1_3&
70839
70840 )
70841 e_5_1_4 = zetb*( c1*e_4_1_3 &
70842
70843
70844 )
70845 e_0_1_4 = zeta*( &
70846 +c2*e_0_0_4&
70847 +2*e_1_0_4 &
70848 )
70849 e_1_1_4 = zeta*( c1*e_0_0_4 &
70850 +c2*e_1_0_4&
70851 +4*e_2_0_4 &
70852 )
70853 e_2_1_4 = zeta*( c1*e_1_0_4 &
70854 +c2*e_2_0_4&
70855 +6*e_3_0_4 &
70856 )
70857 e_3_1_4 = zeta*( c1*e_2_0_4 &
70858 +c2*e_3_0_4&
70859 +8*e_4_0_4 &
70860 )
70861 e_4_1_4 = zeta*( c1*e_3_0_4 &
70862 +c2*e_4_0_4&
70863
70864 )
70865 e_5_1_4 = zeta*( c1*e_4_0_4 &
70866
70867
70868 )
70869
70870 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
70871 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
70872 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70873 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70874 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70875 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70876 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70877 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70878 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70879 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70880 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70881 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70882 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70883 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70884 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70885 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70886 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70887 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70888 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70889 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70890 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70891 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70892 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70893 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70894 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
70895 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
70896 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
70897 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
70898 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
70899 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
70900 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
70901 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
70902 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
70903 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
70904 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
70905 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
70906 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
70907 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
70908 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
70909 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
70910 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
70911 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
70912 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70913 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
70914 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
70915 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70916 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
70917 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
70918 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70919 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70920 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
70921 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
70922 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70923 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70924 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
70925 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
70926 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70927 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70928 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70929 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
70930 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
70931 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
70932 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
70933 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
70934 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
70935 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
70936 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
70937 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
70938 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
70939 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
70940 r1 = r1 + dr
70941 END DO
70942
70943 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70944 END SUBROUTINE
70945 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_2_exp_1 ( &
70946 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70947 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70948 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70949 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70950 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70951 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70952 r_pow_t, r_tmp, rr1_delta, rr2_delta
70953
70954 REAL(kind=dp) :: c1, c2, c3
70955 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
70956 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
70957 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70958 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70959 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
70960 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
70961 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70962 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70963 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70964
70965 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70966
70967 dr = lgth
70968 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70969
70970 s_r(:, :, :) = 0.0_dp
70971
70972 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70973
70974 h_to_c_0_0 = sqrt(alpha/pi)
70975
70976 h_to_c_0_1 = 0.0_dp
70977 h_to_c_1_1 = +2*alpha*h_to_c_0_0
70978 h_to_c_0_2 = -1*h_to_c_1_1
70979 h_to_c_1_2 = +2*alpha*h_to_c_0_1
70980 h_to_c_2_2 = +2*alpha*h_to_c_1_1
70981 h_to_c_0_3 = -1*h_to_c_1_2
70982 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70983 h_to_c_2_3 = +2*alpha*h_to_c_1_2
70984 h_to_c_3_3 = +2*alpha*h_to_c_2_2
70985 h_to_c_0_4 = -1*h_to_c_1_3
70986 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70987 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70988 h_to_c_3_4 = +2*alpha*h_to_c_2_3
70989 h_to_c_4_4 = +2*alpha*h_to_c_3_3
70990 h_to_c_0_5 = -1*h_to_c_1_4
70991 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70992 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70993 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70994 h_to_c_4_5 = +2*alpha*h_to_c_3_4
70995 h_to_c_5_5 = +2*alpha*h_to_c_4_4
70996 h_to_c_0_6 = -1*h_to_c_1_5
70997 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
70998 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
70999 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
71000 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
71001 h_to_c_5_6 = +2*alpha*h_to_c_4_5
71002 h_to_c_6_6 = +2*alpha*h_to_c_5_5
71003 h_to_c_0_7 = -1*h_to_c_1_6
71004 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
71005 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
71006 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
71007 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
71008 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
71009 h_to_c_6_7 = +2*alpha*h_to_c_5_6
71010 h_to_c_7_7 = +2*alpha*h_to_c_6_6
71011
71012 exp_drsq = exp(-alpha*dr*dr)
71013 exp_2drsq = exp_drsq*exp_drsq
71014
71015 rr1_delta = (ra - rb)/dr
71016
71017 rr1_l = ceiling(-r_c(1) + rr1_delta)
71018 rr1_r = floor(r_c(1) + rr1_delta)
71019
71020 r1 = rr1_l*dr
71021
71022 alpha_e = zeta*zetb/(zeta + zetb)
71023
71024 DO rr1 = rr1_l, rr1_r
71025 s_r_t_0 = 0.0_dp
71026 s_r_t2_0 = 0.0_dp
71027 s_r_t_1 = 0.0_dp
71028 s_r_t2_1 = 0.0_dp
71029 s_r_t_2 = 0.0_dp
71030 s_r_t2_2 = 0.0_dp
71031 s_r_t_3 = 0.0_dp
71032 s_r_t2_3 = 0.0_dp
71033 s_r_t_4 = 0.0_dp
71034 s_r_t2_4 = 0.0_dp
71035 s_r_t_5 = 0.0_dp
71036 s_r_t2_5 = 0.0_dp
71037 s_r_t_6 = 0.0_dp
71038 s_r_t2_6 = 0.0_dp
71039 s_r_t_7 = 0.0_dp
71040 s_r_t2_7 = 0.0_dp
71041 r_tmp = r_offset + r1*zeta/(zeta + zetb)
71042 rr2_delta = -r_tmp/dr
71043
71044 rr2_l = ceiling(-r_c(2) + rr2_delta)
71045 rr2_r = floor(r_c(2) + rr2_delta)
71046
71047 r = r_tmp + (rr2_l)*dr
71048
71049 exp2_2rdr = exp(-2*alpha*r*dr)
71050 exp2_rsq = exp(-alpha*r*r)
71051
71052 DO rr2 = rr2_l, rr2_r
71053 r_pow_t = 1.0_dp
71054 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
71055 r_pow_t = r_pow_t*r
71056 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
71057 r_pow_t = r_pow_t*r
71058 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
71059 r_pow_t = r_pow_t*r
71060 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
71061 r_pow_t = r_pow_t*r
71062 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
71063 r_pow_t = r_pow_t*r
71064 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
71065 r_pow_t = r_pow_t*r
71066 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
71067 r_pow_t = r_pow_t*r
71068 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
71069
71070 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
71071 exp2_2rdr = exp2_2rdr*exp_2drsq
71072 r = r + dr
71073 END DO
71074
71075 ! C --> H
71076 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
71077 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
71078 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
71079 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
71080 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
71081 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
71082 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
71083 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
71084 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
71085 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
71086 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
71087 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
71088 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
71089 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
71090 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
71091 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
71092 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
71093 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
71094 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
71095 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
71096 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
71097 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
71098 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
71099 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
71100 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
71101 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
71102 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
71103 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
71104 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
71105 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
71106 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
71107 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
71108 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
71109 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
71110 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
71111 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
71112
71113 ! H --> HH
71114 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
71115
71116 c1 = 1.0_dp/(zeta + zetb)
71117 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
71118 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
71119
71120 e_0_1_0 = zeta*( &
71121 +c2*e_0_0_0&
71122
71123 )
71124 e_0_0_1 = zetb*( &
71125 +c3*e_0_0_0&
71126
71127 )
71128 e_1_1_0 = zeta*( c1*e_0_0_0 &
71129
71130
71131 )
71132 e_1_0_1 = zetb*( c1*e_0_0_0 &
71133
71134
71135 )
71136 e_0_1_1 = zetb*( &
71137 +c3*e_0_1_0&
71138 +2*e_1_1_0 &
71139 )
71140 e_1_1_1 = zetb*( c1*e_0_1_0 &
71141 +c3*e_1_1_0&
71142
71143 )
71144 e_2_1_1 = zetb*( c1*e_1_1_0 &
71145
71146
71147 )
71148 e_0_1_1 = zeta*( &
71149 +c2*e_0_0_1&
71150 +2*e_1_0_1 &
71151 )
71152 e_0_0_2 = zetb*( &
71153 +c3*e_0_0_1&
71154 +2*e_1_0_1 &
71155 -2*e_0_0_0)
71156 e_1_1_1 = zeta*( c1*e_0_0_1 &
71157 +c2*e_1_0_1&
71158
71159 )
71160 e_1_0_2 = zetb*( c1*e_0_0_1 &
71161 +c3*e_1_0_1&
71162
71163 )
71164 e_2_1_1 = zeta*( c1*e_1_0_1 &
71165
71166
71167 )
71168 e_2_0_2 = zetb*( c1*e_1_0_1 &
71169
71170
71171 )
71172 e_0_1_2 = zetb*( &
71173 +c3*e_0_1_1&
71174 +2*e_1_1_1 &
71175 -2*e_0_1_0)
71176 e_1_1_2 = zetb*( c1*e_0_1_1 &
71177 +c3*e_1_1_1&
71178 +4*e_2_1_1 &
71179 -2*e_1_1_0)
71180 e_2_1_2 = zetb*( c1*e_1_1_1 &
71181 +c3*e_2_1_1&
71182
71183 )
71184 e_3_1_2 = zetb*( c1*e_2_1_1 &
71185
71186
71187 )
71188 e_0_1_2 = zeta*( &
71189 +c2*e_0_0_2&
71190 +2*e_1_0_2 &
71191 )
71192 e_0_0_3 = zetb*( &
71193 +c3*e_0_0_2&
71194 +2*e_1_0_2 &
71195 -4*e_0_0_1)
71196 e_1_1_2 = zeta*( c1*e_0_0_2 &
71197 +c2*e_1_0_2&
71198 +4*e_2_0_2 &
71199 )
71200 e_1_0_3 = zetb*( c1*e_0_0_2 &
71201 +c3*e_1_0_2&
71202 +4*e_2_0_2 &
71203 -4*e_1_0_1)
71204 e_2_1_2 = zeta*( c1*e_1_0_2 &
71205 +c2*e_2_0_2&
71206
71207 )
71208 e_2_0_3 = zetb*( c1*e_1_0_2 &
71209 +c3*e_2_0_2&
71210
71211 )
71212 e_3_1_2 = zeta*( c1*e_2_0_2 &
71213
71214
71215 )
71216 e_3_0_3 = zetb*( c1*e_2_0_2 &
71217
71218
71219 )
71220 e_0_1_3 = zetb*( &
71221 +c3*e_0_1_2&
71222 +2*e_1_1_2 &
71223 -4*e_0_1_1)
71224 e_1_1_3 = zetb*( c1*e_0_1_2 &
71225 +c3*e_1_1_2&
71226 +4*e_2_1_2 &
71227 -4*e_1_1_1)
71228 e_2_1_3 = zetb*( c1*e_1_1_2 &
71229 +c3*e_2_1_2&
71230 +6*e_3_1_2 &
71231 -4*e_2_1_1)
71232 e_3_1_3 = zetb*( c1*e_2_1_2 &
71233 +c3*e_3_1_2&
71234
71235 )
71236 e_4_1_3 = zetb*( c1*e_3_1_2 &
71237
71238
71239 )
71240 e_0_1_3 = zeta*( &
71241 +c2*e_0_0_3&
71242 +2*e_1_0_3 &
71243 )
71244 e_0_0_4 = zetb*( &
71245 +c3*e_0_0_3&
71246 +2*e_1_0_3 &
71247 -6*e_0_0_2)
71248 e_1_1_3 = zeta*( c1*e_0_0_3 &
71249 +c2*e_1_0_3&
71250 +4*e_2_0_3 &
71251 )
71252 e_1_0_4 = zetb*( c1*e_0_0_3 &
71253 +c3*e_1_0_3&
71254 +4*e_2_0_3 &
71255 -6*e_1_0_2)
71256 e_2_1_3 = zeta*( c1*e_1_0_3 &
71257 +c2*e_2_0_3&
71258 +6*e_3_0_3 &
71259 )
71260 e_2_0_4 = zetb*( c1*e_1_0_3 &
71261 +c3*e_2_0_3&
71262 +6*e_3_0_3 &
71263 -6*e_2_0_2)
71264 e_3_1_3 = zeta*( c1*e_2_0_3 &
71265 +c2*e_3_0_3&
71266
71267 )
71268 e_3_0_4 = zetb*( c1*e_2_0_3 &
71269 +c3*e_3_0_3&
71270
71271 )
71272 e_4_1_3 = zeta*( c1*e_3_0_3 &
71273
71274
71275 )
71276 e_4_0_4 = zetb*( c1*e_3_0_3 &
71277
71278
71279 )
71280 e_0_1_4 = zetb*( &
71281 +c3*e_0_1_3&
71282 +2*e_1_1_3 &
71283 -6*e_0_1_2)
71284 e_1_1_4 = zetb*( c1*e_0_1_3 &
71285 +c3*e_1_1_3&
71286 +4*e_2_1_3 &
71287 -6*e_1_1_2)
71288 e_2_1_4 = zetb*( c1*e_1_1_3 &
71289 +c3*e_2_1_3&
71290 +6*e_3_1_3 &
71291 -6*e_2_1_2)
71292 e_3_1_4 = zetb*( c1*e_2_1_3 &
71293 +c3*e_3_1_3&
71294 +8*e_4_1_3 &
71295 -6*e_3_1_2)
71296 e_4_1_4 = zetb*( c1*e_3_1_3 &
71297 +c3*e_4_1_3&
71298
71299 )
71300 e_5_1_4 = zetb*( c1*e_4_1_3 &
71301
71302
71303 )
71304 e_0_1_4 = zeta*( &
71305 +c2*e_0_0_4&
71306 +2*e_1_0_4 &
71307 )
71308 e_1_1_4 = zeta*( c1*e_0_0_4 &
71309 +c2*e_1_0_4&
71310 +4*e_2_0_4 &
71311 )
71312 e_2_1_4 = zeta*( c1*e_1_0_4 &
71313 +c2*e_2_0_4&
71314 +6*e_3_0_4 &
71315 )
71316 e_3_1_4 = zeta*( c1*e_2_0_4 &
71317 +c2*e_3_0_4&
71318 +8*e_4_0_4 &
71319 )
71320 e_4_1_4 = zeta*( c1*e_3_0_4 &
71321 +c2*e_4_0_4&
71322
71323 )
71324 e_5_1_4 = zeta*( c1*e_4_0_4 &
71325
71326
71327 )
71328
71329 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
71330 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
71331 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
71332 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
71333 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
71334 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
71335 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
71336 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71337 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
71338 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
71339 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71340 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
71341 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
71342 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71343 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71344 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
71345 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
71346 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71347 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71348 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
71349 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
71350 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71351 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71352 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71353 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
71354 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
71355 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71356 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71357 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71358 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
71359 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
71360 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71361 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71362 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71363 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71364 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
71365 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
71366 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
71367 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
71368 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
71369 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
71370 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
71371 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71372 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
71373 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
71374 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71375 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
71376 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
71377 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71378 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71379 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
71380 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
71381 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71382 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71383 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
71384 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
71385 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71386 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71387 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71388 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
71389 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
71390 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71391 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71392 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71393 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
71394 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
71395 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71396 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71397 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71398 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71399 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
71400 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
71401 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
71402 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
71403 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
71404 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71405 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
71406 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
71407 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71408 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
71409 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
71410 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71411 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71412 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
71413 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
71414 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71415 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71416 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
71417 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
71418 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71419 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71420 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71421 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
71422 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
71423 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71424 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71425 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71426 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
71427 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
71428 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71429 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71430 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71431 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71432 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
71433 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
71434 r1 = r1 + dr
71435 END DO
71436
71437 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
71438 END SUBROUTINE
71439 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_3_exp_1 ( &
71440 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
71441 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
71442 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
71443 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
71444 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
71445 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
71446 r_pow_t, r_tmp, rr1_delta, rr2_delta
71447
71448 REAL(kind=dp) :: c1, c2, c3
71449 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
71450 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
71451 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
71452 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
71453 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
71454 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
71455 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
71456 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
71457 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
71458 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
71459
71460 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
71461
71462 dr = lgth
71463 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
71464
71465 s_r(:, :, :) = 0.0_dp
71466
71467 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
71468
71469 h_to_c_0_0 = sqrt(alpha/pi)
71470
71471 h_to_c_0_1 = 0.0_dp
71472 h_to_c_1_1 = +2*alpha*h_to_c_0_0
71473 h_to_c_0_2 = -1*h_to_c_1_1
71474 h_to_c_1_2 = +2*alpha*h_to_c_0_1
71475 h_to_c_2_2 = +2*alpha*h_to_c_1_1
71476 h_to_c_0_3 = -1*h_to_c_1_2
71477 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
71478 h_to_c_2_3 = +2*alpha*h_to_c_1_2
71479 h_to_c_3_3 = +2*alpha*h_to_c_2_2
71480 h_to_c_0_4 = -1*h_to_c_1_3
71481 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
71482 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
71483 h_to_c_3_4 = +2*alpha*h_to_c_2_3
71484 h_to_c_4_4 = +2*alpha*h_to_c_3_3
71485 h_to_c_0_5 = -1*h_to_c_1_4
71486 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
71487 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
71488 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
71489 h_to_c_4_5 = +2*alpha*h_to_c_3_4
71490 h_to_c_5_5 = +2*alpha*h_to_c_4_4
71491 h_to_c_0_6 = -1*h_to_c_1_5
71492 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
71493 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
71494 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
71495 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
71496 h_to_c_5_6 = +2*alpha*h_to_c_4_5
71497 h_to_c_6_6 = +2*alpha*h_to_c_5_5
71498 h_to_c_0_7 = -1*h_to_c_1_6
71499 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
71500 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
71501 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
71502 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
71503 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
71504 h_to_c_6_7 = +2*alpha*h_to_c_5_6
71505 h_to_c_7_7 = +2*alpha*h_to_c_6_6
71506 h_to_c_0_8 = -1*h_to_c_1_7
71507 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
71508 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
71509 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
71510 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
71511 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
71512 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
71513 h_to_c_7_8 = +2*alpha*h_to_c_6_7
71514 h_to_c_8_8 = +2*alpha*h_to_c_7_7
71515
71516 exp_drsq = exp(-alpha*dr*dr)
71517 exp_2drsq = exp_drsq*exp_drsq
71518
71519 rr1_delta = (ra - rb)/dr
71520
71521 rr1_l = ceiling(-r_c(1) + rr1_delta)
71522 rr1_r = floor(r_c(1) + rr1_delta)
71523
71524 r1 = rr1_l*dr
71525
71526 alpha_e = zeta*zetb/(zeta + zetb)
71527
71528 DO rr1 = rr1_l, rr1_r
71529 s_r_t_0 = 0.0_dp
71530 s_r_t2_0 = 0.0_dp
71531 s_r_t_1 = 0.0_dp
71532 s_r_t2_1 = 0.0_dp
71533 s_r_t_2 = 0.0_dp
71534 s_r_t2_2 = 0.0_dp
71535 s_r_t_3 = 0.0_dp
71536 s_r_t2_3 = 0.0_dp
71537 s_r_t_4 = 0.0_dp
71538 s_r_t2_4 = 0.0_dp
71539 s_r_t_5 = 0.0_dp
71540 s_r_t2_5 = 0.0_dp
71541 s_r_t_6 = 0.0_dp
71542 s_r_t2_6 = 0.0_dp
71543 s_r_t_7 = 0.0_dp
71544 s_r_t2_7 = 0.0_dp
71545 s_r_t_8 = 0.0_dp
71546 s_r_t2_8 = 0.0_dp
71547 r_tmp = r_offset + r1*zeta/(zeta + zetb)
71548 rr2_delta = -r_tmp/dr
71549
71550 rr2_l = ceiling(-r_c(2) + rr2_delta)
71551 rr2_r = floor(r_c(2) + rr2_delta)
71552
71553 r = r_tmp + (rr2_l)*dr
71554
71555 exp2_2rdr = exp(-2*alpha*r*dr)
71556 exp2_rsq = exp(-alpha*r*r)
71557
71558 DO rr2 = rr2_l, rr2_r
71559 r_pow_t = 1.0_dp
71560 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
71561 r_pow_t = r_pow_t*r
71562 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
71563 r_pow_t = r_pow_t*r
71564 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
71565 r_pow_t = r_pow_t*r
71566 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
71567 r_pow_t = r_pow_t*r
71568 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
71569 r_pow_t = r_pow_t*r
71570 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
71571 r_pow_t = r_pow_t*r
71572 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
71573 r_pow_t = r_pow_t*r
71574 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
71575 r_pow_t = r_pow_t*r
71576 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
71577
71578 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
71579 exp2_2rdr = exp2_2rdr*exp_2drsq
71580 r = r + dr
71581 END DO
71582
71583 ! C --> H
71584 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
71585 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
71586 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
71587 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
71588 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
71589 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
71590 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
71591 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
71592 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
71593 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
71594 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
71595 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
71596 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
71597 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
71598 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
71599 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
71600 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
71601 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
71602 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
71603 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
71604 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
71605 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
71606 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
71607 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
71608 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
71609 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
71610 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
71611 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
71612 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
71613 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
71614 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
71615 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
71616 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
71617 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
71618 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
71619 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
71620 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
71621 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
71622 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
71623 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
71624 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
71625 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
71626 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
71627 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
71628 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
71629
71630 ! H --> HH
71631 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
71632
71633 c1 = 1.0_dp/(zeta + zetb)
71634 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
71635 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
71636
71637 e_0_1_0 = zeta*( &
71638 +c2*e_0_0_0&
71639
71640 )
71641 e_0_0_1 = zetb*( &
71642 +c3*e_0_0_0&
71643
71644 )
71645 e_1_1_0 = zeta*( c1*e_0_0_0 &
71646
71647
71648 )
71649 e_1_0_1 = zetb*( c1*e_0_0_0 &
71650
71651
71652 )
71653 e_0_1_1 = zetb*( &
71654 +c3*e_0_1_0&
71655 +2*e_1_1_0 &
71656 )
71657 e_1_1_1 = zetb*( c1*e_0_1_0 &
71658 +c3*e_1_1_0&
71659
71660 )
71661 e_2_1_1 = zetb*( c1*e_1_1_0 &
71662
71663
71664 )
71665 e_0_1_1 = zeta*( &
71666 +c2*e_0_0_1&
71667 +2*e_1_0_1 &
71668 )
71669 e_0_0_2 = zetb*( &
71670 +c3*e_0_0_1&
71671 +2*e_1_0_1 &
71672 -2*e_0_0_0)
71673 e_1_1_1 = zeta*( c1*e_0_0_1 &
71674 +c2*e_1_0_1&
71675
71676 )
71677 e_1_0_2 = zetb*( c1*e_0_0_1 &
71678 +c3*e_1_0_1&
71679
71680 )
71681 e_2_1_1 = zeta*( c1*e_1_0_1 &
71682
71683
71684 )
71685 e_2_0_2 = zetb*( c1*e_1_0_1 &
71686
71687
71688 )
71689 e_0_1_2 = zetb*( &
71690 +c3*e_0_1_1&
71691 +2*e_1_1_1 &
71692 -2*e_0_1_0)
71693 e_1_1_2 = zetb*( c1*e_0_1_1 &
71694 +c3*e_1_1_1&
71695 +4*e_2_1_1 &
71696 -2*e_1_1_0)
71697 e_2_1_2 = zetb*( c1*e_1_1_1 &
71698 +c3*e_2_1_1&
71699
71700 )
71701 e_3_1_2 = zetb*( c1*e_2_1_1 &
71702
71703
71704 )
71705 e_0_1_2 = zeta*( &
71706 +c2*e_0_0_2&
71707 +2*e_1_0_2 &
71708 )
71709 e_0_0_3 = zetb*( &
71710 +c3*e_0_0_2&
71711 +2*e_1_0_2 &
71712 -4*e_0_0_1)
71713 e_1_1_2 = zeta*( c1*e_0_0_2 &
71714 +c2*e_1_0_2&
71715 +4*e_2_0_2 &
71716 )
71717 e_1_0_3 = zetb*( c1*e_0_0_2 &
71718 +c3*e_1_0_2&
71719 +4*e_2_0_2 &
71720 -4*e_1_0_1)
71721 e_2_1_2 = zeta*( c1*e_1_0_2 &
71722 +c2*e_2_0_2&
71723
71724 )
71725 e_2_0_3 = zetb*( c1*e_1_0_2 &
71726 +c3*e_2_0_2&
71727
71728 )
71729 e_3_1_2 = zeta*( c1*e_2_0_2 &
71730
71731
71732 )
71733 e_3_0_3 = zetb*( c1*e_2_0_2 &
71734
71735
71736 )
71737 e_0_1_3 = zetb*( &
71738 +c3*e_0_1_2&
71739 +2*e_1_1_2 &
71740 -4*e_0_1_1)
71741 e_1_1_3 = zetb*( c1*e_0_1_2 &
71742 +c3*e_1_1_2&
71743 +4*e_2_1_2 &
71744 -4*e_1_1_1)
71745 e_2_1_3 = zetb*( c1*e_1_1_2 &
71746 +c3*e_2_1_2&
71747 +6*e_3_1_2 &
71748 -4*e_2_1_1)
71749 e_3_1_3 = zetb*( c1*e_2_1_2 &
71750 +c3*e_3_1_2&
71751
71752 )
71753 e_4_1_3 = zetb*( c1*e_3_1_2 &
71754
71755
71756 )
71757 e_0_1_3 = zeta*( &
71758 +c2*e_0_0_3&
71759 +2*e_1_0_3 &
71760 )
71761 e_0_0_4 = zetb*( &
71762 +c3*e_0_0_3&
71763 +2*e_1_0_3 &
71764 -6*e_0_0_2)
71765 e_1_1_3 = zeta*( c1*e_0_0_3 &
71766 +c2*e_1_0_3&
71767 +4*e_2_0_3 &
71768 )
71769 e_1_0_4 = zetb*( c1*e_0_0_3 &
71770 +c3*e_1_0_3&
71771 +4*e_2_0_3 &
71772 -6*e_1_0_2)
71773 e_2_1_3 = zeta*( c1*e_1_0_3 &
71774 +c2*e_2_0_3&
71775 +6*e_3_0_3 &
71776 )
71777 e_2_0_4 = zetb*( c1*e_1_0_3 &
71778 +c3*e_2_0_3&
71779 +6*e_3_0_3 &
71780 -6*e_2_0_2)
71781 e_3_1_3 = zeta*( c1*e_2_0_3 &
71782 +c2*e_3_0_3&
71783
71784 )
71785 e_3_0_4 = zetb*( c1*e_2_0_3 &
71786 +c3*e_3_0_3&
71787
71788 )
71789 e_4_1_3 = zeta*( c1*e_3_0_3 &
71790
71791
71792 )
71793 e_4_0_4 = zetb*( c1*e_3_0_3 &
71794
71795
71796 )
71797 e_0_1_4 = zetb*( &
71798 +c3*e_0_1_3&
71799 +2*e_1_1_3 &
71800 -6*e_0_1_2)
71801 e_1_1_4 = zetb*( c1*e_0_1_3 &
71802 +c3*e_1_1_3&
71803 +4*e_2_1_3 &
71804 -6*e_1_1_2)
71805 e_2_1_4 = zetb*( c1*e_1_1_3 &
71806 +c3*e_2_1_3&
71807 +6*e_3_1_3 &
71808 -6*e_2_1_2)
71809 e_3_1_4 = zetb*( c1*e_2_1_3 &
71810 +c3*e_3_1_3&
71811 +8*e_4_1_3 &
71812 -6*e_3_1_2)
71813 e_4_1_4 = zetb*( c1*e_3_1_3 &
71814 +c3*e_4_1_3&
71815
71816 )
71817 e_5_1_4 = zetb*( c1*e_4_1_3 &
71818
71819
71820 )
71821 e_0_1_4 = zeta*( &
71822 +c2*e_0_0_4&
71823 +2*e_1_0_4 &
71824 )
71825 e_1_1_4 = zeta*( c1*e_0_0_4 &
71826 +c2*e_1_0_4&
71827 +4*e_2_0_4 &
71828 )
71829 e_2_1_4 = zeta*( c1*e_1_0_4 &
71830 +c2*e_2_0_4&
71831 +6*e_3_0_4 &
71832 )
71833 e_3_1_4 = zeta*( c1*e_2_0_4 &
71834 +c2*e_3_0_4&
71835 +8*e_4_0_4 &
71836 )
71837 e_4_1_4 = zeta*( c1*e_3_0_4 &
71838 +c2*e_4_0_4&
71839
71840 )
71841 e_5_1_4 = zeta*( c1*e_4_0_4 &
71842
71843
71844 )
71845
71846 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
71847 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
71848 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
71849 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
71850 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
71851 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
71852 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
71853 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71854 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
71855 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
71856 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71857 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
71858 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
71859 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71860 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71861 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
71862 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
71863 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71864 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71865 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
71866 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
71867 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71868 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71869 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71870 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
71871 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
71872 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71873 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71874 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71875 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
71876 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
71877 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71878 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71879 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71880 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71881 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
71882 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
71883 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
71884 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
71885 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
71886 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
71887 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
71888 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71889 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
71890 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
71891 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71892 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
71893 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
71894 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71895 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71896 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
71897 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
71898 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71899 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71900 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
71901 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
71902 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71903 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71904 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71905 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
71906 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
71907 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71908 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71909 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71910 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
71911 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
71912 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71913 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71914 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71915 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71916 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
71917 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
71918 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
71919 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
71920 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
71921 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71922 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
71923 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
71924 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71925 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
71926 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
71927 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71928 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71929 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
71930 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
71931 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71932 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71933 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
71934 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
71935 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71936 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71937 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71938 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
71939 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
71940 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71941 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71942 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71943 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
71944 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
71945 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71946 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71947 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71948 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71949 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
71950 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
71951 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
71952 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
71953 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
71954 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
71955 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
71956 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71957 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
71958 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
71959 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71960 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
71961 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
71962 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71963 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71964 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
71965 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
71966 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71967 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71968 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
71969 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
71970 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71971 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71972 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71973 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
71974 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
71975 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71976 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71977 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71978 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
71979 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
71980 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71981 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71982 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71983 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71984 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
71985 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
71986 r1 = r1 + dr
71987 END DO
71988
71989 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
71990 END SUBROUTINE
71991 PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_4_exp_1 ( &
71992 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
71993 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
71994 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
71995 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
71996 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
71997 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
71998 r_pow_t, r_tmp, rr1_delta, rr2_delta
71999
72000 REAL(kind=dp) :: c1, c2, c3
72001 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
72002 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
72003 & s_r_t2_9
72004 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72005 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
72006 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
72007 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
72008 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
72009 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
72010 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
72011 & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
72012 & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
72013
72014 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72015
72016 dr = lgth
72017 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72018
72019 s_r(:, :, :) = 0.0_dp
72020
72021 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72022
72023 h_to_c_0_0 = sqrt(alpha/pi)
72024
72025 h_to_c_0_1 = 0.0_dp
72026 h_to_c_1_1 = +2*alpha*h_to_c_0_0
72027 h_to_c_0_2 = -1*h_to_c_1_1
72028 h_to_c_1_2 = +2*alpha*h_to_c_0_1
72029 h_to_c_2_2 = +2*alpha*h_to_c_1_1
72030 h_to_c_0_3 = -1*h_to_c_1_2
72031 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72032 h_to_c_2_3 = +2*alpha*h_to_c_1_2
72033 h_to_c_3_3 = +2*alpha*h_to_c_2_2
72034 h_to_c_0_4 = -1*h_to_c_1_3
72035 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
72036 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
72037 h_to_c_3_4 = +2*alpha*h_to_c_2_3
72038 h_to_c_4_4 = +2*alpha*h_to_c_3_3
72039 h_to_c_0_5 = -1*h_to_c_1_4
72040 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
72041 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
72042 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
72043 h_to_c_4_5 = +2*alpha*h_to_c_3_4
72044 h_to_c_5_5 = +2*alpha*h_to_c_4_4
72045 h_to_c_0_6 = -1*h_to_c_1_5
72046 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
72047 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
72048 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
72049 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
72050 h_to_c_5_6 = +2*alpha*h_to_c_4_5
72051 h_to_c_6_6 = +2*alpha*h_to_c_5_5
72052 h_to_c_0_7 = -1*h_to_c_1_6
72053 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
72054 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
72055 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
72056 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
72057 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
72058 h_to_c_6_7 = +2*alpha*h_to_c_5_6
72059 h_to_c_7_7 = +2*alpha*h_to_c_6_6
72060 h_to_c_0_8 = -1*h_to_c_1_7
72061 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
72062 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
72063 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
72064 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
72065 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
72066 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
72067 h_to_c_7_8 = +2*alpha*h_to_c_6_7
72068 h_to_c_8_8 = +2*alpha*h_to_c_7_7
72069 h_to_c_0_9 = -1*h_to_c_1_8
72070 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
72071 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
72072 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
72073 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
72074 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
72075 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
72076 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
72077 h_to_c_8_9 = +2*alpha*h_to_c_7_8
72078 h_to_c_9_9 = +2*alpha*h_to_c_8_8
72079
72080 exp_drsq = exp(-alpha*dr*dr)
72081 exp_2drsq = exp_drsq*exp_drsq
72082
72083 rr1_delta = (ra - rb)/dr
72084
72085 rr1_l = ceiling(-r_c(1) + rr1_delta)
72086 rr1_r = floor(r_c(1) + rr1_delta)
72087
72088 r1 = rr1_l*dr
72089
72090 alpha_e = zeta*zetb/(zeta + zetb)
72091
72092 DO rr1 = rr1_l, rr1_r
72093 s_r_t_0 = 0.0_dp
72094 s_r_t2_0 = 0.0_dp
72095 s_r_t_1 = 0.0_dp
72096 s_r_t2_1 = 0.0_dp
72097 s_r_t_2 = 0.0_dp
72098 s_r_t2_2 = 0.0_dp
72099 s_r_t_3 = 0.0_dp
72100 s_r_t2_3 = 0.0_dp
72101 s_r_t_4 = 0.0_dp
72102 s_r_t2_4 = 0.0_dp
72103 s_r_t_5 = 0.0_dp
72104 s_r_t2_5 = 0.0_dp
72105 s_r_t_6 = 0.0_dp
72106 s_r_t2_6 = 0.0_dp
72107 s_r_t_7 = 0.0_dp
72108 s_r_t2_7 = 0.0_dp
72109 s_r_t_8 = 0.0_dp
72110 s_r_t2_8 = 0.0_dp
72111 s_r_t_9 = 0.0_dp
72112 s_r_t2_9 = 0.0_dp
72113 r_tmp = r_offset + r1*zeta/(zeta + zetb)
72114 rr2_delta = -r_tmp/dr
72115
72116 rr2_l = ceiling(-r_c(2) + rr2_delta)
72117 rr2_r = floor(r_c(2) + rr2_delta)
72118
72119 r = r_tmp + (rr2_l)*dr
72120
72121 exp2_2rdr = exp(-2*alpha*r*dr)
72122 exp2_rsq = exp(-alpha*r*r)
72123
72124 DO rr2 = rr2_l, rr2_r
72125 r_pow_t = 1.0_dp
72126 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72127 r_pow_t = r_pow_t*r
72128 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72129 r_pow_t = r_pow_t*r
72130 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72131 r_pow_t = r_pow_t*r
72132 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72133 r_pow_t = r_pow_t*r
72134 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
72135 r_pow_t = r_pow_t*r
72136 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
72137 r_pow_t = r_pow_t*r
72138 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
72139 r_pow_t = r_pow_t*r
72140 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
72141 r_pow_t = r_pow_t*r
72142 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
72143 r_pow_t = r_pow_t*r
72144 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
72145
72146 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72147 exp2_2rdr = exp2_2rdr*exp_2drsq
72148 r = r + dr
72149 END DO
72150
72151 ! C --> H
72152 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72153 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72154 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72155 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72156 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72157 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72158 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72159 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72160 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72161 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72162 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
72163 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
72164 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
72165 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
72166 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
72167 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
72168 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
72169 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
72170 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
72171 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
72172 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
72173 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
72174 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
72175 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
72176 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
72177 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
72178 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
72179 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
72180 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
72181 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
72182 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
72183 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
72184 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
72185 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
72186 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
72187 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
72188 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
72189 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
72190 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
72191 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
72192 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
72193 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
72194 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
72195 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
72196 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
72197 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
72198 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
72199 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
72200 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
72201 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
72202 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
72203 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
72204 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
72205 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
72206 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
72207
72208 ! H --> HH
72209 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72210
72211 c1 = 1.0_dp/(zeta + zetb)
72212 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72213 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72214
72215 e_0_1_0 = zeta*( &
72216 +c2*e_0_0_0&
72217
72218 )
72219 e_0_0_1 = zetb*( &
72220 +c3*e_0_0_0&
72221
72222 )
72223 e_1_1_0 = zeta*( c1*e_0_0_0 &
72224
72225
72226 )
72227 e_1_0_1 = zetb*( c1*e_0_0_0 &
72228
72229
72230 )
72231 e_0_1_1 = zetb*( &
72232 +c3*e_0_1_0&
72233 +2*e_1_1_0 &
72234 )
72235 e_1_1_1 = zetb*( c1*e_0_1_0 &
72236 +c3*e_1_1_0&
72237
72238 )
72239 e_2_1_1 = zetb*( c1*e_1_1_0 &
72240
72241
72242 )
72243 e_0_1_1 = zeta*( &
72244 +c2*e_0_0_1&
72245 +2*e_1_0_1 &
72246 )
72247 e_0_0_2 = zetb*( &
72248 +c3*e_0_0_1&
72249 +2*e_1_0_1 &
72250 -2*e_0_0_0)
72251 e_1_1_1 = zeta*( c1*e_0_0_1 &
72252 +c2*e_1_0_1&
72253
72254 )
72255 e_1_0_2 = zetb*( c1*e_0_0_1 &
72256 +c3*e_1_0_1&
72257
72258 )
72259 e_2_1_1 = zeta*( c1*e_1_0_1 &
72260
72261
72262 )
72263 e_2_0_2 = zetb*( c1*e_1_0_1 &
72264
72265
72266 )
72267 e_0_1_2 = zetb*( &
72268 +c3*e_0_1_1&
72269 +2*e_1_1_1 &
72270 -2*e_0_1_0)
72271 e_1_1_2 = zetb*( c1*e_0_1_1 &
72272 +c3*e_1_1_1&
72273 +4*e_2_1_1 &
72274 -2*e_1_1_0)
72275 e_2_1_2 = zetb*( c1*e_1_1_1 &
72276 +c3*e_2_1_1&
72277
72278 )
72279 e_3_1_2 = zetb*( c1*e_2_1_1 &
72280
72281
72282 )
72283 e_0_1_2 = zeta*( &
72284 +c2*e_0_0_2&
72285 +2*e_1_0_2 &
72286 )
72287 e_0_0_3 = zetb*( &
72288 +c3*e_0_0_2&
72289 +2*e_1_0_2 &
72290 -4*e_0_0_1)
72291 e_1_1_2 = zeta*( c1*e_0_0_2 &
72292 +c2*e_1_0_2&
72293 +4*e_2_0_2 &
72294 )
72295 e_1_0_3 = zetb*( c1*e_0_0_2 &
72296 +c3*e_1_0_2&
72297 +4*e_2_0_2 &
72298 -4*e_1_0_1)
72299 e_2_1_2 = zeta*( c1*e_1_0_2 &
72300 +c2*e_2_0_2&
72301
72302 )
72303 e_2_0_3 = zetb*( c1*e_1_0_2 &
72304 +c3*e_2_0_2&
72305
72306 )
72307 e_3_1_2 = zeta*( c1*e_2_0_2 &
72308
72309
72310 )
72311 e_3_0_3 = zetb*( c1*e_2_0_2 &
72312
72313
72314 )
72315 e_0_1_3 = zetb*( &
72316 +c3*e_0_1_2&
72317 +2*e_1_1_2 &
72318 -4*e_0_1_1)
72319 e_1_1_3 = zetb*( c1*e_0_1_2 &
72320 +c3*e_1_1_2&
72321 +4*e_2_1_2 &
72322 -4*e_1_1_1)
72323 e_2_1_3 = zetb*( c1*e_1_1_2 &
72324 +c3*e_2_1_2&
72325 +6*e_3_1_2 &
72326 -4*e_2_1_1)
72327 e_3_1_3 = zetb*( c1*e_2_1_2 &
72328 +c3*e_3_1_2&
72329
72330 )
72331 e_4_1_3 = zetb*( c1*e_3_1_2 &
72332
72333
72334 )
72335 e_0_1_3 = zeta*( &
72336 +c2*e_0_0_3&
72337 +2*e_1_0_3 &
72338 )
72339 e_0_0_4 = zetb*( &
72340 +c3*e_0_0_3&
72341 +2*e_1_0_3 &
72342 -6*e_0_0_2)
72343 e_1_1_3 = zeta*( c1*e_0_0_3 &
72344 +c2*e_1_0_3&
72345 +4*e_2_0_3 &
72346 )
72347 e_1_0_4 = zetb*( c1*e_0_0_3 &
72348 +c3*e_1_0_3&
72349 +4*e_2_0_3 &
72350 -6*e_1_0_2)
72351 e_2_1_3 = zeta*( c1*e_1_0_3 &
72352 +c2*e_2_0_3&
72353 +6*e_3_0_3 &
72354 )
72355 e_2_0_4 = zetb*( c1*e_1_0_3 &
72356 +c3*e_2_0_3&
72357 +6*e_3_0_3 &
72358 -6*e_2_0_2)
72359 e_3_1_3 = zeta*( c1*e_2_0_3 &
72360 +c2*e_3_0_3&
72361
72362 )
72363 e_3_0_4 = zetb*( c1*e_2_0_3 &
72364 +c3*e_3_0_3&
72365
72366 )
72367 e_4_1_3 = zeta*( c1*e_3_0_3 &
72368
72369
72370 )
72371 e_4_0_4 = zetb*( c1*e_3_0_3 &
72372
72373
72374 )
72375 e_0_1_4 = zetb*( &
72376 +c3*e_0_1_3&
72377 +2*e_1_1_3 &
72378 -6*e_0_1_2)
72379 e_1_1_4 = zetb*( c1*e_0_1_3 &
72380 +c3*e_1_1_3&
72381 +4*e_2_1_3 &
72382 -6*e_1_1_2)
72383 e_2_1_4 = zetb*( c1*e_1_1_3 &
72384 +c3*e_2_1_3&
72385 +6*e_3_1_3 &
72386 -6*e_2_1_2)
72387 e_3_1_4 = zetb*( c1*e_2_1_3 &
72388 +c3*e_3_1_3&
72389 +8*e_4_1_3 &
72390 -6*e_3_1_2)
72391 e_4_1_4 = zetb*( c1*e_3_1_3 &
72392 +c3*e_4_1_3&
72393
72394 )
72395 e_5_1_4 = zetb*( c1*e_4_1_3 &
72396
72397
72398 )
72399 e_0_1_4 = zeta*( &
72400 +c2*e_0_0_4&
72401 +2*e_1_0_4 &
72402 )
72403 e_1_1_4 = zeta*( c1*e_0_0_4 &
72404 +c2*e_1_0_4&
72405 +4*e_2_0_4 &
72406 )
72407 e_2_1_4 = zeta*( c1*e_1_0_4 &
72408 +c2*e_2_0_4&
72409 +6*e_3_0_4 &
72410 )
72411 e_3_1_4 = zeta*( c1*e_2_0_4 &
72412 +c2*e_3_0_4&
72413 +8*e_4_0_4 &
72414 )
72415 e_4_1_4 = zeta*( c1*e_3_0_4 &
72416 +c2*e_4_0_4&
72417
72418 )
72419 e_5_1_4 = zeta*( c1*e_4_0_4 &
72420
72421
72422 )
72423
72424 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72425 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72426 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72427 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
72428 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
72429 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
72430 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
72431 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
72432 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
72433 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
72434 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
72435 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
72436 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
72437 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
72438 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
72439 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
72440 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
72441 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
72442 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
72443 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
72444 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
72445 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
72446 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
72447 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72448 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
72449 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
72450 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
72451 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
72452 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72453 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
72454 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
72455 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
72456 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
72457 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72458 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72459 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
72460 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
72461 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
72462 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
72463 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
72464 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
72465 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
72466 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
72467 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
72468 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
72469 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
72470 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
72471 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
72472 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
72473 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
72474 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
72475 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
72476 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
72477 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
72478 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
72479 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
72480 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
72481 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
72482 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
72483 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
72484 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
72485 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
72486 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
72487 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
72488 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
72489 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
72490 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
72491 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
72492 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
72493 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
72494 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
72495 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
72496 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
72497 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
72498 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
72499 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
72500 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
72501 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
72502 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
72503 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
72504 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
72505 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
72506 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
72507 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
72508 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
72509 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
72510 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
72511 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
72512 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
72513 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
72514 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
72515 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72516 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
72517 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
72518 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
72519 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
72520 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72521 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
72522 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
72523 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
72524 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
72525 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72526 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72527 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
72528 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
72529 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
72530 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
72531 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
72532 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
72533 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
72534 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
72535 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
72536 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
72537 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
72538 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
72539 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
72540 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
72541 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
72542 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
72543 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
72544 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
72545 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
72546 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
72547 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
72548 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
72549 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
72550 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
72551 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
72552 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
72553 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
72554 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
72555 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
72556 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
72557 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
72558 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
72559 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
72560 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
72561 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
72562 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
72563 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
72564 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
72565 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
72566 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
72567 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
72568 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
72569 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
72570 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
72571 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
72572 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
72573 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
72574 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
72575 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
72576 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
72577 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
72578 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
72579 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
72580 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
72581 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
72582 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
72583 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72584 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
72585 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
72586 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
72587 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
72588 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72589 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
72590 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
72591 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
72592 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
72593 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72594 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72595 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
72596 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
72597 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
72598 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
72599 r1 = r1 + dr
72600 END DO
72601
72602 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72603 END SUBROUTINE
72604 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_0_exp_1 ( &
72605 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72606 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72607 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72608 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72609 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72610 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72611 r_pow_t, r_tmp, rr1_delta, rr2_delta
72612
72613 REAL(kind=dp) :: c1, c2, c3
72614 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
72615 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
72616 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
72617 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72618
72619 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72620
72621 dr = lgth
72622 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72623
72624 s_r(:, :, :) = 0.0_dp
72625
72626 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72627
72628 h_to_c_0_0 = sqrt(alpha/pi)
72629
72630 h_to_c_0_1 = 0.0_dp
72631 h_to_c_1_1 = +2*alpha*h_to_c_0_0
72632 h_to_c_0_2 = -1*h_to_c_1_1
72633 h_to_c_1_2 = +2*alpha*h_to_c_0_1
72634 h_to_c_2_2 = +2*alpha*h_to_c_1_1
72635
72636 exp_drsq = exp(-alpha*dr*dr)
72637 exp_2drsq = exp_drsq*exp_drsq
72638
72639 rr1_delta = (ra - rb)/dr
72640
72641 rr1_l = ceiling(-r_c(1) + rr1_delta)
72642 rr1_r = floor(r_c(1) + rr1_delta)
72643
72644 r1 = rr1_l*dr
72645
72646 alpha_e = zeta*zetb/(zeta + zetb)
72647
72648 DO rr1 = rr1_l, rr1_r
72649 s_r_t_0 = 0.0_dp
72650 s_r_t2_0 = 0.0_dp
72651 s_r_t_1 = 0.0_dp
72652 s_r_t2_1 = 0.0_dp
72653 s_r_t_2 = 0.0_dp
72654 s_r_t2_2 = 0.0_dp
72655 r_tmp = r_offset + r1*zeta/(zeta + zetb)
72656 rr2_delta = -r_tmp/dr
72657
72658 rr2_l = ceiling(-r_c(2) + rr2_delta)
72659 rr2_r = floor(r_c(2) + rr2_delta)
72660
72661 r = r_tmp + (rr2_l)*dr
72662
72663 exp2_2rdr = exp(-2*alpha*r*dr)
72664 exp2_rsq = exp(-alpha*r*r)
72665
72666 DO rr2 = rr2_l, rr2_r
72667 r_pow_t = 1.0_dp
72668 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72669 r_pow_t = r_pow_t*r
72670 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72671 r_pow_t = r_pow_t*r
72672 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72673
72674 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72675 exp2_2rdr = exp2_2rdr*exp_2drsq
72676 r = r + dr
72677 END DO
72678
72679 ! C --> H
72680 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72681 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72682 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72683 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72684 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72685 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72686
72687 ! H --> HH
72688 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72689
72690 c1 = 1.0_dp/(zeta + zetb)
72691 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72692 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72693
72694 e_0_1_0 = zeta*( &
72695 +c2*e_0_0_0&
72696
72697 )
72698 e_1_1_0 = zeta*( c1*e_0_0_0 &
72699
72700
72701 )
72702 e_0_2_0 = zeta*( &
72703 +c2*e_0_1_0&
72704 +2*e_1_1_0 &
72705 -2*e_0_0_0)
72706 e_1_2_0 = zeta*( c1*e_0_1_0 &
72707 +c2*e_1_1_0&
72708
72709 )
72710 e_2_2_0 = zeta*( c1*e_1_1_0 &
72711
72712
72713 )
72714
72715 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72716 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72717 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72718 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
72719 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
72720 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
72721 r1 = r1 + dr
72722 END DO
72723
72724 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72725 END SUBROUTINE
72726 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_1_exp_1 ( &
72727 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72728 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72729 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72730 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72731 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72732 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72733 r_pow_t, r_tmp, rr1_delta, rr2_delta
72734
72735 REAL(kind=dp) :: c1, c2, c3
72736 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
72737 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
72738 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72739 & h_to_c_3_3
72740 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72741
72742 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72743
72744 dr = lgth
72745 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72746
72747 s_r(:, :, :) = 0.0_dp
72748
72749 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72750
72751 h_to_c_0_0 = sqrt(alpha/pi)
72752
72753 h_to_c_0_1 = 0.0_dp
72754 h_to_c_1_1 = +2*alpha*h_to_c_0_0
72755 h_to_c_0_2 = -1*h_to_c_1_1
72756 h_to_c_1_2 = +2*alpha*h_to_c_0_1
72757 h_to_c_2_2 = +2*alpha*h_to_c_1_1
72758 h_to_c_0_3 = -1*h_to_c_1_2
72759 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72760 h_to_c_2_3 = +2*alpha*h_to_c_1_2
72761 h_to_c_3_3 = +2*alpha*h_to_c_2_2
72762
72763 exp_drsq = exp(-alpha*dr*dr)
72764 exp_2drsq = exp_drsq*exp_drsq
72765
72766 rr1_delta = (ra - rb)/dr
72767
72768 rr1_l = ceiling(-r_c(1) + rr1_delta)
72769 rr1_r = floor(r_c(1) + rr1_delta)
72770
72771 r1 = rr1_l*dr
72772
72773 alpha_e = zeta*zetb/(zeta + zetb)
72774
72775 DO rr1 = rr1_l, rr1_r
72776 s_r_t_0 = 0.0_dp
72777 s_r_t2_0 = 0.0_dp
72778 s_r_t_1 = 0.0_dp
72779 s_r_t2_1 = 0.0_dp
72780 s_r_t_2 = 0.0_dp
72781 s_r_t2_2 = 0.0_dp
72782 s_r_t_3 = 0.0_dp
72783 s_r_t2_3 = 0.0_dp
72784 r_tmp = r_offset + r1*zeta/(zeta + zetb)
72785 rr2_delta = -r_tmp/dr
72786
72787 rr2_l = ceiling(-r_c(2) + rr2_delta)
72788 rr2_r = floor(r_c(2) + rr2_delta)
72789
72790 r = r_tmp + (rr2_l)*dr
72791
72792 exp2_2rdr = exp(-2*alpha*r*dr)
72793 exp2_rsq = exp(-alpha*r*r)
72794
72795 DO rr2 = rr2_l, rr2_r
72796 r_pow_t = 1.0_dp
72797 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72798 r_pow_t = r_pow_t*r
72799 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72800 r_pow_t = r_pow_t*r
72801 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72802 r_pow_t = r_pow_t*r
72803 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72804
72805 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72806 exp2_2rdr = exp2_2rdr*exp_2drsq
72807 r = r + dr
72808 END DO
72809
72810 ! C --> H
72811 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72812 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72813 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72814 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72815 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72816 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72817 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72818 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72819 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72820 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72821
72822 ! H --> HH
72823 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72824
72825 c1 = 1.0_dp/(zeta + zetb)
72826 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72827 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72828
72829 e_0_1_0 = zeta*( &
72830 +c2*e_0_0_0&
72831
72832 )
72833 e_1_1_0 = zeta*( c1*e_0_0_0 &
72834
72835
72836 )
72837 e_0_2_0 = zeta*( &
72838 +c2*e_0_1_0&
72839 +2*e_1_1_0 &
72840 -2*e_0_0_0)
72841 e_1_2_0 = zeta*( c1*e_0_1_0 &
72842 +c2*e_1_1_0&
72843
72844 )
72845 e_2_2_0 = zeta*( c1*e_1_1_0 &
72846
72847
72848 )
72849
72850 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72851 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72852 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72853 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
72854 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
72855 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
72856 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
72857 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
72858 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
72859 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
72860 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
72861 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
72862 r1 = r1 + dr
72863 END DO
72864
72865 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72866 END SUBROUTINE
72867 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_2_exp_1 ( &
72868 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72869 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72870 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72871 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72872 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72873 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72874 r_pow_t, r_tmp, rr1_delta, rr2_delta
72875
72876 REAL(kind=dp) :: c1, c2, c3
72877 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
72878 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
72879 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72880 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
72881 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72882
72883 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72884
72885 dr = lgth
72886 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72887
72888 s_r(:, :, :) = 0.0_dp
72889
72890 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72891
72892 h_to_c_0_0 = sqrt(alpha/pi)
72893
72894 h_to_c_0_1 = 0.0_dp
72895 h_to_c_1_1 = +2*alpha*h_to_c_0_0
72896 h_to_c_0_2 = -1*h_to_c_1_1
72897 h_to_c_1_2 = +2*alpha*h_to_c_0_1
72898 h_to_c_2_2 = +2*alpha*h_to_c_1_1
72899 h_to_c_0_3 = -1*h_to_c_1_2
72900 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72901 h_to_c_2_3 = +2*alpha*h_to_c_1_2
72902 h_to_c_3_3 = +2*alpha*h_to_c_2_2
72903 h_to_c_0_4 = -1*h_to_c_1_3
72904 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
72905 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
72906 h_to_c_3_4 = +2*alpha*h_to_c_2_3
72907 h_to_c_4_4 = +2*alpha*h_to_c_3_3
72908
72909 exp_drsq = exp(-alpha*dr*dr)
72910 exp_2drsq = exp_drsq*exp_drsq
72911
72912 rr1_delta = (ra - rb)/dr
72913
72914 rr1_l = ceiling(-r_c(1) + rr1_delta)
72915 rr1_r = floor(r_c(1) + rr1_delta)
72916
72917 r1 = rr1_l*dr
72918
72919 alpha_e = zeta*zetb/(zeta + zetb)
72920
72921 DO rr1 = rr1_l, rr1_r
72922 s_r_t_0 = 0.0_dp
72923 s_r_t2_0 = 0.0_dp
72924 s_r_t_1 = 0.0_dp
72925 s_r_t2_1 = 0.0_dp
72926 s_r_t_2 = 0.0_dp
72927 s_r_t2_2 = 0.0_dp
72928 s_r_t_3 = 0.0_dp
72929 s_r_t2_3 = 0.0_dp
72930 s_r_t_4 = 0.0_dp
72931 s_r_t2_4 = 0.0_dp
72932 r_tmp = r_offset + r1*zeta/(zeta + zetb)
72933 rr2_delta = -r_tmp/dr
72934
72935 rr2_l = ceiling(-r_c(2) + rr2_delta)
72936 rr2_r = floor(r_c(2) + rr2_delta)
72937
72938 r = r_tmp + (rr2_l)*dr
72939
72940 exp2_2rdr = exp(-2*alpha*r*dr)
72941 exp2_rsq = exp(-alpha*r*r)
72942
72943 DO rr2 = rr2_l, rr2_r
72944 r_pow_t = 1.0_dp
72945 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72946 r_pow_t = r_pow_t*r
72947 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72948 r_pow_t = r_pow_t*r
72949 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72950 r_pow_t = r_pow_t*r
72951 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72952 r_pow_t = r_pow_t*r
72953 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
72954
72955 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72956 exp2_2rdr = exp2_2rdr*exp_2drsq
72957 r = r + dr
72958 END DO
72959
72960 ! C --> H
72961 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72962 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72963 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72964 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72965 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72966 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72967 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72968 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72969 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72970 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72971 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
72972 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
72973 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
72974 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
72975 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
72976
72977 ! H --> HH
72978 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72979
72980 c1 = 1.0_dp/(zeta + zetb)
72981 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72982 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72983
72984 e_0_1_0 = zeta*( &
72985 +c2*e_0_0_0&
72986
72987 )
72988 e_1_1_0 = zeta*( c1*e_0_0_0 &
72989
72990
72991 )
72992 e_0_2_0 = zeta*( &
72993 +c2*e_0_1_0&
72994 +2*e_1_1_0 &
72995 -2*e_0_0_0)
72996 e_1_2_0 = zeta*( c1*e_0_1_0 &
72997 +c2*e_1_1_0&
72998
72999 )
73000 e_2_2_0 = zeta*( c1*e_1_1_0 &
73001
73002
73003 )
73004
73005 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73006 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73007 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73008 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73009 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73010 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73011 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73012 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73013 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73014 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73015 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73016 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73017 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73018 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73019 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73020 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73021 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73022 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73023 r1 = r1 + dr
73024 END DO
73025
73026 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73027 END SUBROUTINE
73028 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_3_exp_1 ( &
73029 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73030 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73031 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73032 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73033 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73034 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73035 r_pow_t, r_tmp, rr1_delta, rr2_delta
73036
73037 REAL(kind=dp) :: c1, c2, c3
73038 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
73039 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
73040 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73041 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73042 & h_to_c_4_5, h_to_c_5_5
73043 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
73044
73045 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73046
73047 dr = lgth
73048 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73049
73050 s_r(:, :, :) = 0.0_dp
73051
73052 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73053
73054 h_to_c_0_0 = sqrt(alpha/pi)
73055
73056 h_to_c_0_1 = 0.0_dp
73057 h_to_c_1_1 = +2*alpha*h_to_c_0_0
73058 h_to_c_0_2 = -1*h_to_c_1_1
73059 h_to_c_1_2 = +2*alpha*h_to_c_0_1
73060 h_to_c_2_2 = +2*alpha*h_to_c_1_1
73061 h_to_c_0_3 = -1*h_to_c_1_2
73062 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73063 h_to_c_2_3 = +2*alpha*h_to_c_1_2
73064 h_to_c_3_3 = +2*alpha*h_to_c_2_2
73065 h_to_c_0_4 = -1*h_to_c_1_3
73066 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73067 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73068 h_to_c_3_4 = +2*alpha*h_to_c_2_3
73069 h_to_c_4_4 = +2*alpha*h_to_c_3_3
73070 h_to_c_0_5 = -1*h_to_c_1_4
73071 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73072 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73073 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73074 h_to_c_4_5 = +2*alpha*h_to_c_3_4
73075 h_to_c_5_5 = +2*alpha*h_to_c_4_4
73076
73077 exp_drsq = exp(-alpha*dr*dr)
73078 exp_2drsq = exp_drsq*exp_drsq
73079
73080 rr1_delta = (ra - rb)/dr
73081
73082 rr1_l = ceiling(-r_c(1) + rr1_delta)
73083 rr1_r = floor(r_c(1) + rr1_delta)
73084
73085 r1 = rr1_l*dr
73086
73087 alpha_e = zeta*zetb/(zeta + zetb)
73088
73089 DO rr1 = rr1_l, rr1_r
73090 s_r_t_0 = 0.0_dp
73091 s_r_t2_0 = 0.0_dp
73092 s_r_t_1 = 0.0_dp
73093 s_r_t2_1 = 0.0_dp
73094 s_r_t_2 = 0.0_dp
73095 s_r_t2_2 = 0.0_dp
73096 s_r_t_3 = 0.0_dp
73097 s_r_t2_3 = 0.0_dp
73098 s_r_t_4 = 0.0_dp
73099 s_r_t2_4 = 0.0_dp
73100 s_r_t_5 = 0.0_dp
73101 s_r_t2_5 = 0.0_dp
73102 r_tmp = r_offset + r1*zeta/(zeta + zetb)
73103 rr2_delta = -r_tmp/dr
73104
73105 rr2_l = ceiling(-r_c(2) + rr2_delta)
73106 rr2_r = floor(r_c(2) + rr2_delta)
73107
73108 r = r_tmp + (rr2_l)*dr
73109
73110 exp2_2rdr = exp(-2*alpha*r*dr)
73111 exp2_rsq = exp(-alpha*r*r)
73112
73113 DO rr2 = rr2_l, rr2_r
73114 r_pow_t = 1.0_dp
73115 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73116 r_pow_t = r_pow_t*r
73117 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73118 r_pow_t = r_pow_t*r
73119 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73120 r_pow_t = r_pow_t*r
73121 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73122 r_pow_t = r_pow_t*r
73123 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73124 r_pow_t = r_pow_t*r
73125 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73126
73127 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73128 exp2_2rdr = exp2_2rdr*exp_2drsq
73129 r = r + dr
73130 END DO
73131
73132 ! C --> H
73133 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73134 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73135 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73136 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73137 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73138 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73139 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73140 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73141 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73142 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73143 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73144 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73145 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73146 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73147 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73148 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73149 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73150 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73151 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73152 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73153 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73154
73155 ! H --> HH
73156 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73157
73158 c1 = 1.0_dp/(zeta + zetb)
73159 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73160 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73161
73162 e_0_1_0 = zeta*( &
73163 +c2*e_0_0_0&
73164
73165 )
73166 e_1_1_0 = zeta*( c1*e_0_0_0 &
73167
73168
73169 )
73170 e_0_2_0 = zeta*( &
73171 +c2*e_0_1_0&
73172 +2*e_1_1_0 &
73173 -2*e_0_0_0)
73174 e_1_2_0 = zeta*( c1*e_0_1_0 &
73175 +c2*e_1_1_0&
73176
73177 )
73178 e_2_2_0 = zeta*( c1*e_1_1_0 &
73179
73180
73181 )
73182
73183 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73184 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73185 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73186 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73187 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73188 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73189 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73190 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73191 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73192 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73193 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73194 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73195 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73196 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73197 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73198 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73199 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73200 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73201 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
73202 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
73203 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
73204 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73205 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
73206 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
73207 r1 = r1 + dr
73208 END DO
73209
73210 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73211 END SUBROUTINE
73212 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_4_exp_1 ( &
73213 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73214 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73215 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73216 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73217 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73218 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73219 r_pow_t, r_tmp, rr1_delta, rr2_delta
73220
73221 REAL(kind=dp) :: c1, c2, c3
73222 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
73223 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
73224 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73225 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73226 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
73227 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
73228
73229 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73230
73231 dr = lgth
73232 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73233
73234 s_r(:, :, :) = 0.0_dp
73235
73236 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73237
73238 h_to_c_0_0 = sqrt(alpha/pi)
73239
73240 h_to_c_0_1 = 0.0_dp
73241 h_to_c_1_1 = +2*alpha*h_to_c_0_0
73242 h_to_c_0_2 = -1*h_to_c_1_1
73243 h_to_c_1_2 = +2*alpha*h_to_c_0_1
73244 h_to_c_2_2 = +2*alpha*h_to_c_1_1
73245 h_to_c_0_3 = -1*h_to_c_1_2
73246 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73247 h_to_c_2_3 = +2*alpha*h_to_c_1_2
73248 h_to_c_3_3 = +2*alpha*h_to_c_2_2
73249 h_to_c_0_4 = -1*h_to_c_1_3
73250 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73251 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73252 h_to_c_3_4 = +2*alpha*h_to_c_2_3
73253 h_to_c_4_4 = +2*alpha*h_to_c_3_3
73254 h_to_c_0_5 = -1*h_to_c_1_4
73255 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73256 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73257 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73258 h_to_c_4_5 = +2*alpha*h_to_c_3_4
73259 h_to_c_5_5 = +2*alpha*h_to_c_4_4
73260 h_to_c_0_6 = -1*h_to_c_1_5
73261 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
73262 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
73263 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
73264 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
73265 h_to_c_5_6 = +2*alpha*h_to_c_4_5
73266 h_to_c_6_6 = +2*alpha*h_to_c_5_5
73267
73268 exp_drsq = exp(-alpha*dr*dr)
73269 exp_2drsq = exp_drsq*exp_drsq
73270
73271 rr1_delta = (ra - rb)/dr
73272
73273 rr1_l = ceiling(-r_c(1) + rr1_delta)
73274 rr1_r = floor(r_c(1) + rr1_delta)
73275
73276 r1 = rr1_l*dr
73277
73278 alpha_e = zeta*zetb/(zeta + zetb)
73279
73280 DO rr1 = rr1_l, rr1_r
73281 s_r_t_0 = 0.0_dp
73282 s_r_t2_0 = 0.0_dp
73283 s_r_t_1 = 0.0_dp
73284 s_r_t2_1 = 0.0_dp
73285 s_r_t_2 = 0.0_dp
73286 s_r_t2_2 = 0.0_dp
73287 s_r_t_3 = 0.0_dp
73288 s_r_t2_3 = 0.0_dp
73289 s_r_t_4 = 0.0_dp
73290 s_r_t2_4 = 0.0_dp
73291 s_r_t_5 = 0.0_dp
73292 s_r_t2_5 = 0.0_dp
73293 s_r_t_6 = 0.0_dp
73294 s_r_t2_6 = 0.0_dp
73295 r_tmp = r_offset + r1*zeta/(zeta + zetb)
73296 rr2_delta = -r_tmp/dr
73297
73298 rr2_l = ceiling(-r_c(2) + rr2_delta)
73299 rr2_r = floor(r_c(2) + rr2_delta)
73300
73301 r = r_tmp + (rr2_l)*dr
73302
73303 exp2_2rdr = exp(-2*alpha*r*dr)
73304 exp2_rsq = exp(-alpha*r*r)
73305
73306 DO rr2 = rr2_l, rr2_r
73307 r_pow_t = 1.0_dp
73308 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73309 r_pow_t = r_pow_t*r
73310 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73311 r_pow_t = r_pow_t*r
73312 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73313 r_pow_t = r_pow_t*r
73314 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73315 r_pow_t = r_pow_t*r
73316 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73317 r_pow_t = r_pow_t*r
73318 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73319 r_pow_t = r_pow_t*r
73320 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
73321
73322 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73323 exp2_2rdr = exp2_2rdr*exp_2drsq
73324 r = r + dr
73325 END DO
73326
73327 ! C --> H
73328 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73329 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73330 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73331 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73332 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73333 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73334 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73335 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73336 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73337 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73338 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73339 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73340 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73341 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73342 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73343 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73344 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73345 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73346 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73347 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73348 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73349 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
73350 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
73351 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
73352 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
73353 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
73354 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
73355 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
73356
73357 ! H --> HH
73358 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73359
73360 c1 = 1.0_dp/(zeta + zetb)
73361 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73362 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73363
73364 e_0_1_0 = zeta*( &
73365 +c2*e_0_0_0&
73366
73367 )
73368 e_1_1_0 = zeta*( c1*e_0_0_0 &
73369
73370
73371 )
73372 e_0_2_0 = zeta*( &
73373 +c2*e_0_1_0&
73374 +2*e_1_1_0 &
73375 -2*e_0_0_0)
73376 e_1_2_0 = zeta*( c1*e_0_1_0 &
73377 +c2*e_1_1_0&
73378
73379 )
73380 e_2_2_0 = zeta*( c1*e_1_1_0 &
73381
73382
73383 )
73384
73385 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73386 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73387 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73388 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73389 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73390 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73391 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73392 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73393 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73394 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73395 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73396 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73397 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73398 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73399 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73400 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73401 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73402 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73403 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
73404 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
73405 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
73406 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73407 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
73408 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
73409 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
73410 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
73411 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
73412 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73413 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
73414 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
73415 r1 = r1 + dr
73416 END DO
73417
73418 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73419 END SUBROUTINE
73420 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_0_exp_1 ( &
73421 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73422 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73423 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73424 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73425 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73426 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73427 r_pow_t, r_tmp, rr1_delta, rr2_delta
73428
73429 REAL(kind=dp) :: c1, c2, c3
73430 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
73431 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
73432 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73433 & h_to_c_3_3
73434 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73435 & e_1_2_1, e_2_2_1, e_3_2_1
73436
73437 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73438
73439 dr = lgth
73440 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73441
73442 s_r(:, :, :) = 0.0_dp
73443
73444 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73445
73446 h_to_c_0_0 = sqrt(alpha/pi)
73447
73448 h_to_c_0_1 = 0.0_dp
73449 h_to_c_1_1 = +2*alpha*h_to_c_0_0
73450 h_to_c_0_2 = -1*h_to_c_1_1
73451 h_to_c_1_2 = +2*alpha*h_to_c_0_1
73452 h_to_c_2_2 = +2*alpha*h_to_c_1_1
73453 h_to_c_0_3 = -1*h_to_c_1_2
73454 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73455 h_to_c_2_3 = +2*alpha*h_to_c_1_2
73456 h_to_c_3_3 = +2*alpha*h_to_c_2_2
73457
73458 exp_drsq = exp(-alpha*dr*dr)
73459 exp_2drsq = exp_drsq*exp_drsq
73460
73461 rr1_delta = (ra - rb)/dr
73462
73463 rr1_l = ceiling(-r_c(1) + rr1_delta)
73464 rr1_r = floor(r_c(1) + rr1_delta)
73465
73466 r1 = rr1_l*dr
73467
73468 alpha_e = zeta*zetb/(zeta + zetb)
73469
73470 DO rr1 = rr1_l, rr1_r
73471 s_r_t_0 = 0.0_dp
73472 s_r_t2_0 = 0.0_dp
73473 s_r_t_1 = 0.0_dp
73474 s_r_t2_1 = 0.0_dp
73475 s_r_t_2 = 0.0_dp
73476 s_r_t2_2 = 0.0_dp
73477 s_r_t_3 = 0.0_dp
73478 s_r_t2_3 = 0.0_dp
73479 r_tmp = r_offset + r1*zeta/(zeta + zetb)
73480 rr2_delta = -r_tmp/dr
73481
73482 rr2_l = ceiling(-r_c(2) + rr2_delta)
73483 rr2_r = floor(r_c(2) + rr2_delta)
73484
73485 r = r_tmp + (rr2_l)*dr
73486
73487 exp2_2rdr = exp(-2*alpha*r*dr)
73488 exp2_rsq = exp(-alpha*r*r)
73489
73490 DO rr2 = rr2_l, rr2_r
73491 r_pow_t = 1.0_dp
73492 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73493 r_pow_t = r_pow_t*r
73494 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73495 r_pow_t = r_pow_t*r
73496 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73497 r_pow_t = r_pow_t*r
73498 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73499
73500 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73501 exp2_2rdr = exp2_2rdr*exp_2drsq
73502 r = r + dr
73503 END DO
73504
73505 ! C --> H
73506 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73507 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73508 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73509 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73510 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73511 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73512 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73513 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73514 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73515 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73516
73517 ! H --> HH
73518 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73519
73520 c1 = 1.0_dp/(zeta + zetb)
73521 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73522 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73523
73524 e_0_1_0 = zeta*( &
73525 +c2*e_0_0_0&
73526
73527 )
73528 e_0_0_1 = zetb*( &
73529 +c3*e_0_0_0&
73530
73531 )
73532 e_1_1_0 = zeta*( c1*e_0_0_0 &
73533
73534
73535 )
73536 e_1_0_1 = zetb*( c1*e_0_0_0 &
73537
73538
73539 )
73540 e_0_2_0 = zeta*( &
73541 +c2*e_0_1_0&
73542 +2*e_1_1_0 &
73543 -2*e_0_0_0)
73544 e_0_1_1 = zetb*( &
73545 +c3*e_0_1_0&
73546 +2*e_1_1_0 &
73547 )
73548 e_1_2_0 = zeta*( c1*e_0_1_0 &
73549 +c2*e_1_1_0&
73550
73551 )
73552 e_1_1_1 = zetb*( c1*e_0_1_0 &
73553 +c3*e_1_1_0&
73554
73555 )
73556 e_2_2_0 = zeta*( c1*e_1_1_0 &
73557
73558
73559 )
73560 e_2_1_1 = zetb*( c1*e_1_1_0 &
73561
73562
73563 )
73564 e_0_2_1 = zetb*( &
73565 +c3*e_0_2_0&
73566 +2*e_1_2_0 &
73567 )
73568 e_1_2_1 = zetb*( c1*e_0_2_0 &
73569 +c3*e_1_2_0&
73570 +4*e_2_2_0 &
73571 )
73572 e_2_2_1 = zetb*( c1*e_1_2_0 &
73573 +c3*e_2_2_0&
73574
73575 )
73576 e_3_2_1 = zetb*( c1*e_2_2_0 &
73577
73578
73579 )
73580 e_0_1_1 = zeta*( &
73581 +c2*e_0_0_1&
73582 +2*e_1_0_1 &
73583 )
73584 e_1_1_1 = zeta*( c1*e_0_0_1 &
73585 +c2*e_1_0_1&
73586
73587 )
73588 e_2_1_1 = zeta*( c1*e_1_0_1 &
73589
73590
73591 )
73592 e_0_2_1 = zeta*( &
73593 +c2*e_0_1_1&
73594 +2*e_1_1_1 &
73595 -2*e_0_0_1)
73596 e_1_2_1 = zeta*( c1*e_0_1_1 &
73597 +c2*e_1_1_1&
73598 +4*e_2_1_1 &
73599 -2*e_1_0_1)
73600 e_2_2_1 = zeta*( c1*e_1_1_1 &
73601 +c2*e_2_1_1&
73602
73603 )
73604 e_3_2_1 = zeta*( c1*e_2_1_1 &
73605
73606
73607 )
73608
73609 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73610 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73611 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73612 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73613 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73614 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73615 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
73616 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
73617 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
73618 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
73619 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
73620 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
73621 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
73622 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
73623 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
73624 r1 = r1 + dr
73625 END DO
73626
73627 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73628 END SUBROUTINE
73629 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_1_exp_1 ( &
73630 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73631 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73632 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73633 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73634 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73635 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73636 r_pow_t, r_tmp, rr1_delta, rr2_delta
73637
73638 REAL(kind=dp) :: c1, c2, c3
73639 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
73640 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
73641 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73642 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
73643 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73644 & e_1_2_1, e_2_2_1, e_3_2_1
73645
73646 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73647
73648 dr = lgth
73649 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73650
73651 s_r(:, :, :) = 0.0_dp
73652
73653 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73654
73655 h_to_c_0_0 = sqrt(alpha/pi)
73656
73657 h_to_c_0_1 = 0.0_dp
73658 h_to_c_1_1 = +2*alpha*h_to_c_0_0
73659 h_to_c_0_2 = -1*h_to_c_1_1
73660 h_to_c_1_2 = +2*alpha*h_to_c_0_1
73661 h_to_c_2_2 = +2*alpha*h_to_c_1_1
73662 h_to_c_0_3 = -1*h_to_c_1_2
73663 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73664 h_to_c_2_3 = +2*alpha*h_to_c_1_2
73665 h_to_c_3_3 = +2*alpha*h_to_c_2_2
73666 h_to_c_0_4 = -1*h_to_c_1_3
73667 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73668 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73669 h_to_c_3_4 = +2*alpha*h_to_c_2_3
73670 h_to_c_4_4 = +2*alpha*h_to_c_3_3
73671
73672 exp_drsq = exp(-alpha*dr*dr)
73673 exp_2drsq = exp_drsq*exp_drsq
73674
73675 rr1_delta = (ra - rb)/dr
73676
73677 rr1_l = ceiling(-r_c(1) + rr1_delta)
73678 rr1_r = floor(r_c(1) + rr1_delta)
73679
73680 r1 = rr1_l*dr
73681
73682 alpha_e = zeta*zetb/(zeta + zetb)
73683
73684 DO rr1 = rr1_l, rr1_r
73685 s_r_t_0 = 0.0_dp
73686 s_r_t2_0 = 0.0_dp
73687 s_r_t_1 = 0.0_dp
73688 s_r_t2_1 = 0.0_dp
73689 s_r_t_2 = 0.0_dp
73690 s_r_t2_2 = 0.0_dp
73691 s_r_t_3 = 0.0_dp
73692 s_r_t2_3 = 0.0_dp
73693 s_r_t_4 = 0.0_dp
73694 s_r_t2_4 = 0.0_dp
73695 r_tmp = r_offset + r1*zeta/(zeta + zetb)
73696 rr2_delta = -r_tmp/dr
73697
73698 rr2_l = ceiling(-r_c(2) + rr2_delta)
73699 rr2_r = floor(r_c(2) + rr2_delta)
73700
73701 r = r_tmp + (rr2_l)*dr
73702
73703 exp2_2rdr = exp(-2*alpha*r*dr)
73704 exp2_rsq = exp(-alpha*r*r)
73705
73706 DO rr2 = rr2_l, rr2_r
73707 r_pow_t = 1.0_dp
73708 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73709 r_pow_t = r_pow_t*r
73710 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73711 r_pow_t = r_pow_t*r
73712 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73713 r_pow_t = r_pow_t*r
73714 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73715 r_pow_t = r_pow_t*r
73716 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73717
73718 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73719 exp2_2rdr = exp2_2rdr*exp_2drsq
73720 r = r + dr
73721 END DO
73722
73723 ! C --> H
73724 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73725 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73726 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73727 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73728 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73729 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73730 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73731 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73732 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73733 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73734 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73735 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73736 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73737 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73738 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73739
73740 ! H --> HH
73741 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73742
73743 c1 = 1.0_dp/(zeta + zetb)
73744 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73745 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73746
73747 e_0_1_0 = zeta*( &
73748 +c2*e_0_0_0&
73749
73750 )
73751 e_0_0_1 = zetb*( &
73752 +c3*e_0_0_0&
73753
73754 )
73755 e_1_1_0 = zeta*( c1*e_0_0_0 &
73756
73757
73758 )
73759 e_1_0_1 = zetb*( c1*e_0_0_0 &
73760
73761
73762 )
73763 e_0_2_0 = zeta*( &
73764 +c2*e_0_1_0&
73765 +2*e_1_1_0 &
73766 -2*e_0_0_0)
73767 e_0_1_1 = zetb*( &
73768 +c3*e_0_1_0&
73769 +2*e_1_1_0 &
73770 )
73771 e_1_2_0 = zeta*( c1*e_0_1_0 &
73772 +c2*e_1_1_0&
73773
73774 )
73775 e_1_1_1 = zetb*( c1*e_0_1_0 &
73776 +c3*e_1_1_0&
73777
73778 )
73779 e_2_2_0 = zeta*( c1*e_1_1_0 &
73780
73781
73782 )
73783 e_2_1_1 = zetb*( c1*e_1_1_0 &
73784
73785
73786 )
73787 e_0_2_1 = zetb*( &
73788 +c3*e_0_2_0&
73789 +2*e_1_2_0 &
73790 )
73791 e_1_2_1 = zetb*( c1*e_0_2_0 &
73792 +c3*e_1_2_0&
73793 +4*e_2_2_0 &
73794 )
73795 e_2_2_1 = zetb*( c1*e_1_2_0 &
73796 +c3*e_2_2_0&
73797
73798 )
73799 e_3_2_1 = zetb*( c1*e_2_2_0 &
73800
73801
73802 )
73803 e_0_1_1 = zeta*( &
73804 +c2*e_0_0_1&
73805 +2*e_1_0_1 &
73806 )
73807 e_1_1_1 = zeta*( c1*e_0_0_1 &
73808 +c2*e_1_0_1&
73809
73810 )
73811 e_2_1_1 = zeta*( c1*e_1_0_1 &
73812
73813
73814 )
73815 e_0_2_1 = zeta*( &
73816 +c2*e_0_1_1&
73817 +2*e_1_1_1 &
73818 -2*e_0_0_1)
73819 e_1_2_1 = zeta*( c1*e_0_1_1 &
73820 +c2*e_1_1_1&
73821 +4*e_2_1_1 &
73822 -2*e_1_0_1)
73823 e_2_2_1 = zeta*( c1*e_1_1_1 &
73824 +c2*e_2_1_1&
73825
73826 )
73827 e_3_2_1 = zeta*( c1*e_2_1_1 &
73828
73829
73830 )
73831
73832 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73833 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73834 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73835 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73836 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73837 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73838 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
73839 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
73840 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
73841 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
73842 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
73843 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
73844 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
73845 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
73846 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
73847 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73848 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73849 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73850 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73851 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73852 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73853 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
73854 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
73855 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
73856 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
73857 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
73858 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
73859 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
73860 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
73861 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
73862 r1 = r1 + dr
73863 END DO
73864
73865 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73866 END SUBROUTINE
73867 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_2_exp_1 ( &
73868 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73869 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73870 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73871 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73872 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73873 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73874 r_pow_t, r_tmp, rr1_delta, rr2_delta
73875
73876 REAL(kind=dp) :: c1, c2, c3
73877 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
73878 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
73879 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73880 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73881 & h_to_c_4_5, h_to_c_5_5
73882 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73883 & e_1_2_1, e_2_2_1, e_3_2_1
73884
73885 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73886
73887 dr = lgth
73888 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73889
73890 s_r(:, :, :) = 0.0_dp
73891
73892 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73893
73894 h_to_c_0_0 = sqrt(alpha/pi)
73895
73896 h_to_c_0_1 = 0.0_dp
73897 h_to_c_1_1 = +2*alpha*h_to_c_0_0
73898 h_to_c_0_2 = -1*h_to_c_1_1
73899 h_to_c_1_2 = +2*alpha*h_to_c_0_1
73900 h_to_c_2_2 = +2*alpha*h_to_c_1_1
73901 h_to_c_0_3 = -1*h_to_c_1_2
73902 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73903 h_to_c_2_3 = +2*alpha*h_to_c_1_2
73904 h_to_c_3_3 = +2*alpha*h_to_c_2_2
73905 h_to_c_0_4 = -1*h_to_c_1_3
73906 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73907 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73908 h_to_c_3_4 = +2*alpha*h_to_c_2_3
73909 h_to_c_4_4 = +2*alpha*h_to_c_3_3
73910 h_to_c_0_5 = -1*h_to_c_1_4
73911 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73912 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73913 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73914 h_to_c_4_5 = +2*alpha*h_to_c_3_4
73915 h_to_c_5_5 = +2*alpha*h_to_c_4_4
73916
73917 exp_drsq = exp(-alpha*dr*dr)
73918 exp_2drsq = exp_drsq*exp_drsq
73919
73920 rr1_delta = (ra - rb)/dr
73921
73922 rr1_l = ceiling(-r_c(1) + rr1_delta)
73923 rr1_r = floor(r_c(1) + rr1_delta)
73924
73925 r1 = rr1_l*dr
73926
73927 alpha_e = zeta*zetb/(zeta + zetb)
73928
73929 DO rr1 = rr1_l, rr1_r
73930 s_r_t_0 = 0.0_dp
73931 s_r_t2_0 = 0.0_dp
73932 s_r_t_1 = 0.0_dp
73933 s_r_t2_1 = 0.0_dp
73934 s_r_t_2 = 0.0_dp
73935 s_r_t2_2 = 0.0_dp
73936 s_r_t_3 = 0.0_dp
73937 s_r_t2_3 = 0.0_dp
73938 s_r_t_4 = 0.0_dp
73939 s_r_t2_4 = 0.0_dp
73940 s_r_t_5 = 0.0_dp
73941 s_r_t2_5 = 0.0_dp
73942 r_tmp = r_offset + r1*zeta/(zeta + zetb)
73943 rr2_delta = -r_tmp/dr
73944
73945 rr2_l = ceiling(-r_c(2) + rr2_delta)
73946 rr2_r = floor(r_c(2) + rr2_delta)
73947
73948 r = r_tmp + (rr2_l)*dr
73949
73950 exp2_2rdr = exp(-2*alpha*r*dr)
73951 exp2_rsq = exp(-alpha*r*r)
73952
73953 DO rr2 = rr2_l, rr2_r
73954 r_pow_t = 1.0_dp
73955 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73956 r_pow_t = r_pow_t*r
73957 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73958 r_pow_t = r_pow_t*r
73959 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73960 r_pow_t = r_pow_t*r
73961 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73962 r_pow_t = r_pow_t*r
73963 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73964 r_pow_t = r_pow_t*r
73965 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73966
73967 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73968 exp2_2rdr = exp2_2rdr*exp_2drsq
73969 r = r + dr
73970 END DO
73971
73972 ! C --> H
73973 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73974 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73975 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73976 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73977 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73978 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73979 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73980 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73981 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73982 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73983 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73984 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73985 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73986 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73987 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73988 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73989 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73990 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73991 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73992 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73993 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73994
73995 ! H --> HH
73996 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73997
73998 c1 = 1.0_dp/(zeta + zetb)
73999 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74000 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74001
74002 e_0_1_0 = zeta*( &
74003 +c2*e_0_0_0&
74004
74005 )
74006 e_0_0_1 = zetb*( &
74007 +c3*e_0_0_0&
74008
74009 )
74010 e_1_1_0 = zeta*( c1*e_0_0_0 &
74011
74012
74013 )
74014 e_1_0_1 = zetb*( c1*e_0_0_0 &
74015
74016
74017 )
74018 e_0_2_0 = zeta*( &
74019 +c2*e_0_1_0&
74020 +2*e_1_1_0 &
74021 -2*e_0_0_0)
74022 e_0_1_1 = zetb*( &
74023 +c3*e_0_1_0&
74024 +2*e_1_1_0 &
74025 )
74026 e_1_2_0 = zeta*( c1*e_0_1_0 &
74027 +c2*e_1_1_0&
74028
74029 )
74030 e_1_1_1 = zetb*( c1*e_0_1_0 &
74031 +c3*e_1_1_0&
74032
74033 )
74034 e_2_2_0 = zeta*( c1*e_1_1_0 &
74035
74036
74037 )
74038 e_2_1_1 = zetb*( c1*e_1_1_0 &
74039
74040
74041 )
74042 e_0_2_1 = zetb*( &
74043 +c3*e_0_2_0&
74044 +2*e_1_2_0 &
74045 )
74046 e_1_2_1 = zetb*( c1*e_0_2_0 &
74047 +c3*e_1_2_0&
74048 +4*e_2_2_0 &
74049 )
74050 e_2_2_1 = zetb*( c1*e_1_2_0 &
74051 +c3*e_2_2_0&
74052
74053 )
74054 e_3_2_1 = zetb*( c1*e_2_2_0 &
74055
74056
74057 )
74058 e_0_1_1 = zeta*( &
74059 +c2*e_0_0_1&
74060 +2*e_1_0_1 &
74061 )
74062 e_1_1_1 = zeta*( c1*e_0_0_1 &
74063 +c2*e_1_0_1&
74064
74065 )
74066 e_2_1_1 = zeta*( c1*e_1_0_1 &
74067
74068
74069 )
74070 e_0_2_1 = zeta*( &
74071 +c2*e_0_1_1&
74072 +2*e_1_1_1 &
74073 -2*e_0_0_1)
74074 e_1_2_1 = zeta*( c1*e_0_1_1 &
74075 +c2*e_1_1_1&
74076 +4*e_2_1_1 &
74077 -2*e_1_0_1)
74078 e_2_2_1 = zeta*( c1*e_1_1_1 &
74079 +c2*e_2_1_1&
74080
74081 )
74082 e_3_2_1 = zeta*( c1*e_2_1_1 &
74083
74084
74085 )
74086
74087 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74088 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74089 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74090 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74091 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74092 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74093 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74094 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74095 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74096 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74097 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74098 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74099 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74100 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74101 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74102 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74103 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74104 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74105 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74106 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74107 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74108 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74109 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74110 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74111 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74112 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74113 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74114 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74115 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74116 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74117 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74118 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74119 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74120 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74121 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74122 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74123 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74124 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74125 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74126 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74127 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74128 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74129 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74130 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74131 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74132 r1 = r1 + dr
74133 END DO
74134
74135 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74136 END SUBROUTINE
74137 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_3_exp_1 ( &
74138 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74139 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74140 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74141 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74142 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74143 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74144 r_pow_t, r_tmp, rr1_delta, rr2_delta
74145
74146 REAL(kind=dp) :: c1, c2, c3
74147 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
74148 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
74149 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74150 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
74151 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
74152 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74153 & e_1_2_1, e_2_2_1, e_3_2_1
74154
74155 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74156
74157 dr = lgth
74158 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74159
74160 s_r(:, :, :) = 0.0_dp
74161
74162 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74163
74164 h_to_c_0_0 = sqrt(alpha/pi)
74165
74166 h_to_c_0_1 = 0.0_dp
74167 h_to_c_1_1 = +2*alpha*h_to_c_0_0
74168 h_to_c_0_2 = -1*h_to_c_1_1
74169 h_to_c_1_2 = +2*alpha*h_to_c_0_1
74170 h_to_c_2_2 = +2*alpha*h_to_c_1_1
74171 h_to_c_0_3 = -1*h_to_c_1_2
74172 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74173 h_to_c_2_3 = +2*alpha*h_to_c_1_2
74174 h_to_c_3_3 = +2*alpha*h_to_c_2_2
74175 h_to_c_0_4 = -1*h_to_c_1_3
74176 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74177 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74178 h_to_c_3_4 = +2*alpha*h_to_c_2_3
74179 h_to_c_4_4 = +2*alpha*h_to_c_3_3
74180 h_to_c_0_5 = -1*h_to_c_1_4
74181 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
74182 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
74183 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
74184 h_to_c_4_5 = +2*alpha*h_to_c_3_4
74185 h_to_c_5_5 = +2*alpha*h_to_c_4_4
74186 h_to_c_0_6 = -1*h_to_c_1_5
74187 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
74188 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
74189 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
74190 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
74191 h_to_c_5_6 = +2*alpha*h_to_c_4_5
74192 h_to_c_6_6 = +2*alpha*h_to_c_5_5
74193
74194 exp_drsq = exp(-alpha*dr*dr)
74195 exp_2drsq = exp_drsq*exp_drsq
74196
74197 rr1_delta = (ra - rb)/dr
74198
74199 rr1_l = ceiling(-r_c(1) + rr1_delta)
74200 rr1_r = floor(r_c(1) + rr1_delta)
74201
74202 r1 = rr1_l*dr
74203
74204 alpha_e = zeta*zetb/(zeta + zetb)
74205
74206 DO rr1 = rr1_l, rr1_r
74207 s_r_t_0 = 0.0_dp
74208 s_r_t2_0 = 0.0_dp
74209 s_r_t_1 = 0.0_dp
74210 s_r_t2_1 = 0.0_dp
74211 s_r_t_2 = 0.0_dp
74212 s_r_t2_2 = 0.0_dp
74213 s_r_t_3 = 0.0_dp
74214 s_r_t2_3 = 0.0_dp
74215 s_r_t_4 = 0.0_dp
74216 s_r_t2_4 = 0.0_dp
74217 s_r_t_5 = 0.0_dp
74218 s_r_t2_5 = 0.0_dp
74219 s_r_t_6 = 0.0_dp
74220 s_r_t2_6 = 0.0_dp
74221 r_tmp = r_offset + r1*zeta/(zeta + zetb)
74222 rr2_delta = -r_tmp/dr
74223
74224 rr2_l = ceiling(-r_c(2) + rr2_delta)
74225 rr2_r = floor(r_c(2) + rr2_delta)
74226
74227 r = r_tmp + (rr2_l)*dr
74228
74229 exp2_2rdr = exp(-2*alpha*r*dr)
74230 exp2_rsq = exp(-alpha*r*r)
74231
74232 DO rr2 = rr2_l, rr2_r
74233 r_pow_t = 1.0_dp
74234 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74235 r_pow_t = r_pow_t*r
74236 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74237 r_pow_t = r_pow_t*r
74238 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74239 r_pow_t = r_pow_t*r
74240 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74241 r_pow_t = r_pow_t*r
74242 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74243 r_pow_t = r_pow_t*r
74244 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
74245 r_pow_t = r_pow_t*r
74246 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
74247
74248 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74249 exp2_2rdr = exp2_2rdr*exp_2drsq
74250 r = r + dr
74251 END DO
74252
74253 ! C --> H
74254 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74255 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74256 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74257 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74258 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74259 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74260 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74261 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74262 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74263 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74264 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74265 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74266 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74267 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74268 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74269 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
74270 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
74271 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
74272 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
74273 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
74274 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
74275 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
74276 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
74277 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
74278 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
74279 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
74280 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
74281 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
74282
74283 ! H --> HH
74284 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74285
74286 c1 = 1.0_dp/(zeta + zetb)
74287 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74288 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74289
74290 e_0_1_0 = zeta*( &
74291 +c2*e_0_0_0&
74292
74293 )
74294 e_0_0_1 = zetb*( &
74295 +c3*e_0_0_0&
74296
74297 )
74298 e_1_1_0 = zeta*( c1*e_0_0_0 &
74299
74300
74301 )
74302 e_1_0_1 = zetb*( c1*e_0_0_0 &
74303
74304
74305 )
74306 e_0_2_0 = zeta*( &
74307 +c2*e_0_1_0&
74308 +2*e_1_1_0 &
74309 -2*e_0_0_0)
74310 e_0_1_1 = zetb*( &
74311 +c3*e_0_1_0&
74312 +2*e_1_1_0 &
74313 )
74314 e_1_2_0 = zeta*( c1*e_0_1_0 &
74315 +c2*e_1_1_0&
74316
74317 )
74318 e_1_1_1 = zetb*( c1*e_0_1_0 &
74319 +c3*e_1_1_0&
74320
74321 )
74322 e_2_2_0 = zeta*( c1*e_1_1_0 &
74323
74324
74325 )
74326 e_2_1_1 = zetb*( c1*e_1_1_0 &
74327
74328
74329 )
74330 e_0_2_1 = zetb*( &
74331 +c3*e_0_2_0&
74332 +2*e_1_2_0 &
74333 )
74334 e_1_2_1 = zetb*( c1*e_0_2_0 &
74335 +c3*e_1_2_0&
74336 +4*e_2_2_0 &
74337 )
74338 e_2_2_1 = zetb*( c1*e_1_2_0 &
74339 +c3*e_2_2_0&
74340
74341 )
74342 e_3_2_1 = zetb*( c1*e_2_2_0 &
74343
74344
74345 )
74346 e_0_1_1 = zeta*( &
74347 +c2*e_0_0_1&
74348 +2*e_1_0_1 &
74349 )
74350 e_1_1_1 = zeta*( c1*e_0_0_1 &
74351 +c2*e_1_0_1&
74352
74353 )
74354 e_2_1_1 = zeta*( c1*e_1_0_1 &
74355
74356
74357 )
74358 e_0_2_1 = zeta*( &
74359 +c2*e_0_1_1&
74360 +2*e_1_1_1 &
74361 -2*e_0_0_1)
74362 e_1_2_1 = zeta*( c1*e_0_1_1 &
74363 +c2*e_1_1_1&
74364 +4*e_2_1_1 &
74365 -2*e_1_0_1)
74366 e_2_2_1 = zeta*( c1*e_1_1_1 &
74367 +c2*e_2_1_1&
74368
74369 )
74370 e_3_2_1 = zeta*( c1*e_2_1_1 &
74371
74372
74373 )
74374
74375 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74376 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74377 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74378 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74379 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74380 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74381 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74382 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74383 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74384 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74385 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74386 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74387 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74388 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74389 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74390 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74391 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74392 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74393 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74394 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74395 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74396 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74397 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74398 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74399 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74400 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74401 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74402 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74403 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74404 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74405 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74406 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74407 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74408 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74409 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74410 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74411 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74412 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74413 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74414 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74415 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74416 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74417 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74418 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74419 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74420 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
74421 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
74422 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
74423 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74424 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
74425 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
74426 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
74427 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
74428 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74429 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
74430 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
74431 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74432 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74433 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
74434 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
74435 r1 = r1 + dr
74436 END DO
74437
74438 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74439 END SUBROUTINE
74440 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_4_exp_1 ( &
74441 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74442 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74443 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74444 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74445 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74446 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74447 r_pow_t, r_tmp, rr1_delta, rr2_delta
74448
74449 REAL(kind=dp) :: c1, c2, c3
74450 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
74451 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
74452 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74453 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
74454 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
74455 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
74456 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74457 & e_1_2_1, e_2_2_1, e_3_2_1
74458
74459 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74460
74461 dr = lgth
74462 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74463
74464 s_r(:, :, :) = 0.0_dp
74465
74466 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74467
74468 h_to_c_0_0 = sqrt(alpha/pi)
74469
74470 h_to_c_0_1 = 0.0_dp
74471 h_to_c_1_1 = +2*alpha*h_to_c_0_0
74472 h_to_c_0_2 = -1*h_to_c_1_1
74473 h_to_c_1_2 = +2*alpha*h_to_c_0_1
74474 h_to_c_2_2 = +2*alpha*h_to_c_1_1
74475 h_to_c_0_3 = -1*h_to_c_1_2
74476 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74477 h_to_c_2_3 = +2*alpha*h_to_c_1_2
74478 h_to_c_3_3 = +2*alpha*h_to_c_2_2
74479 h_to_c_0_4 = -1*h_to_c_1_3
74480 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74481 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74482 h_to_c_3_4 = +2*alpha*h_to_c_2_3
74483 h_to_c_4_4 = +2*alpha*h_to_c_3_3
74484 h_to_c_0_5 = -1*h_to_c_1_4
74485 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
74486 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
74487 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
74488 h_to_c_4_5 = +2*alpha*h_to_c_3_4
74489 h_to_c_5_5 = +2*alpha*h_to_c_4_4
74490 h_to_c_0_6 = -1*h_to_c_1_5
74491 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
74492 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
74493 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
74494 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
74495 h_to_c_5_6 = +2*alpha*h_to_c_4_5
74496 h_to_c_6_6 = +2*alpha*h_to_c_5_5
74497 h_to_c_0_7 = -1*h_to_c_1_6
74498 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
74499 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
74500 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
74501 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
74502 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
74503 h_to_c_6_7 = +2*alpha*h_to_c_5_6
74504 h_to_c_7_7 = +2*alpha*h_to_c_6_6
74505
74506 exp_drsq = exp(-alpha*dr*dr)
74507 exp_2drsq = exp_drsq*exp_drsq
74508
74509 rr1_delta = (ra - rb)/dr
74510
74511 rr1_l = ceiling(-r_c(1) + rr1_delta)
74512 rr1_r = floor(r_c(1) + rr1_delta)
74513
74514 r1 = rr1_l*dr
74515
74516 alpha_e = zeta*zetb/(zeta + zetb)
74517
74518 DO rr1 = rr1_l, rr1_r
74519 s_r_t_0 = 0.0_dp
74520 s_r_t2_0 = 0.0_dp
74521 s_r_t_1 = 0.0_dp
74522 s_r_t2_1 = 0.0_dp
74523 s_r_t_2 = 0.0_dp
74524 s_r_t2_2 = 0.0_dp
74525 s_r_t_3 = 0.0_dp
74526 s_r_t2_3 = 0.0_dp
74527 s_r_t_4 = 0.0_dp
74528 s_r_t2_4 = 0.0_dp
74529 s_r_t_5 = 0.0_dp
74530 s_r_t2_5 = 0.0_dp
74531 s_r_t_6 = 0.0_dp
74532 s_r_t2_6 = 0.0_dp
74533 s_r_t_7 = 0.0_dp
74534 s_r_t2_7 = 0.0_dp
74535 r_tmp = r_offset + r1*zeta/(zeta + zetb)
74536 rr2_delta = -r_tmp/dr
74537
74538 rr2_l = ceiling(-r_c(2) + rr2_delta)
74539 rr2_r = floor(r_c(2) + rr2_delta)
74540
74541 r = r_tmp + (rr2_l)*dr
74542
74543 exp2_2rdr = exp(-2*alpha*r*dr)
74544 exp2_rsq = exp(-alpha*r*r)
74545
74546 DO rr2 = rr2_l, rr2_r
74547 r_pow_t = 1.0_dp
74548 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74549 r_pow_t = r_pow_t*r
74550 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74551 r_pow_t = r_pow_t*r
74552 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74553 r_pow_t = r_pow_t*r
74554 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74555 r_pow_t = r_pow_t*r
74556 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74557 r_pow_t = r_pow_t*r
74558 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
74559 r_pow_t = r_pow_t*r
74560 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
74561 r_pow_t = r_pow_t*r
74562 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
74563
74564 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74565 exp2_2rdr = exp2_2rdr*exp_2drsq
74566 r = r + dr
74567 END DO
74568
74569 ! C --> H
74570 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74571 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74572 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74573 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74574 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74575 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74576 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74577 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74578 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74579 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74580 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74581 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74582 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74583 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74584 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74585 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
74586 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
74587 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
74588 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
74589 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
74590 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
74591 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
74592 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
74593 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
74594 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
74595 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
74596 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
74597 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
74598 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
74599 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
74600 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
74601 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
74602 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
74603 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
74604 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
74605 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
74606
74607 ! H --> HH
74608 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74609
74610 c1 = 1.0_dp/(zeta + zetb)
74611 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74612 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74613
74614 e_0_1_0 = zeta*( &
74615 +c2*e_0_0_0&
74616
74617 )
74618 e_0_0_1 = zetb*( &
74619 +c3*e_0_0_0&
74620
74621 )
74622 e_1_1_0 = zeta*( c1*e_0_0_0 &
74623
74624
74625 )
74626 e_1_0_1 = zetb*( c1*e_0_0_0 &
74627
74628
74629 )
74630 e_0_2_0 = zeta*( &
74631 +c2*e_0_1_0&
74632 +2*e_1_1_0 &
74633 -2*e_0_0_0)
74634 e_0_1_1 = zetb*( &
74635 +c3*e_0_1_0&
74636 +2*e_1_1_0 &
74637 )
74638 e_1_2_0 = zeta*( c1*e_0_1_0 &
74639 +c2*e_1_1_0&
74640
74641 )
74642 e_1_1_1 = zetb*( c1*e_0_1_0 &
74643 +c3*e_1_1_0&
74644
74645 )
74646 e_2_2_0 = zeta*( c1*e_1_1_0 &
74647
74648
74649 )
74650 e_2_1_1 = zetb*( c1*e_1_1_0 &
74651
74652
74653 )
74654 e_0_2_1 = zetb*( &
74655 +c3*e_0_2_0&
74656 +2*e_1_2_0 &
74657 )
74658 e_1_2_1 = zetb*( c1*e_0_2_0 &
74659 +c3*e_1_2_0&
74660 +4*e_2_2_0 &
74661 )
74662 e_2_2_1 = zetb*( c1*e_1_2_0 &
74663 +c3*e_2_2_0&
74664
74665 )
74666 e_3_2_1 = zetb*( c1*e_2_2_0 &
74667
74668
74669 )
74670 e_0_1_1 = zeta*( &
74671 +c2*e_0_0_1&
74672 +2*e_1_0_1 &
74673 )
74674 e_1_1_1 = zeta*( c1*e_0_0_1 &
74675 +c2*e_1_0_1&
74676
74677 )
74678 e_2_1_1 = zeta*( c1*e_1_0_1 &
74679
74680
74681 )
74682 e_0_2_1 = zeta*( &
74683 +c2*e_0_1_1&
74684 +2*e_1_1_1 &
74685 -2*e_0_0_1)
74686 e_1_2_1 = zeta*( c1*e_0_1_1 &
74687 +c2*e_1_1_1&
74688 +4*e_2_1_1 &
74689 -2*e_1_0_1)
74690 e_2_2_1 = zeta*( c1*e_1_1_1 &
74691 +c2*e_2_1_1&
74692
74693 )
74694 e_3_2_1 = zeta*( c1*e_2_1_1 &
74695
74696
74697 )
74698
74699 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74700 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74701 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74702 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74703 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74704 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74705 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74706 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74707 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74708 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74709 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74710 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74711 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74712 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74713 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74714 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74715 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74716 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74717 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74718 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74719 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74720 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74721 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74722 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74723 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74724 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74725 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74726 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74727 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74728 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74729 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74730 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74731 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74732 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74733 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74734 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74735 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74736 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74737 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74738 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74739 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74740 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74741 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74742 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74743 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74744 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
74745 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
74746 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
74747 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74748 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
74749 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
74750 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
74751 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
74752 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74753 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
74754 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
74755 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74756 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74757 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
74758 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
74759 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
74760 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
74761 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
74762 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74763 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
74764 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
74765 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
74766 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
74767 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74768 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
74769 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
74770 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74771 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74772 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
74773 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
74774 r1 = r1 + dr
74775 END DO
74776
74777 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74778 END SUBROUTINE
74779 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_0_exp_1 ( &
74780 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74781 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74782 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74783 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74784 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74785 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74786 r_pow_t, r_tmp, rr1_delta, rr2_delta
74787
74788 REAL(kind=dp) :: c1, c2, c3
74789 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
74790 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
74791 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74792 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
74793 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74794 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
74795 & e_3_2_2, e_4_2_2
74796
74797 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74798
74799 dr = lgth
74800 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74801
74802 s_r(:, :, :) = 0.0_dp
74803
74804 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74805
74806 h_to_c_0_0 = sqrt(alpha/pi)
74807
74808 h_to_c_0_1 = 0.0_dp
74809 h_to_c_1_1 = +2*alpha*h_to_c_0_0
74810 h_to_c_0_2 = -1*h_to_c_1_1
74811 h_to_c_1_2 = +2*alpha*h_to_c_0_1
74812 h_to_c_2_2 = +2*alpha*h_to_c_1_1
74813 h_to_c_0_3 = -1*h_to_c_1_2
74814 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74815 h_to_c_2_3 = +2*alpha*h_to_c_1_2
74816 h_to_c_3_3 = +2*alpha*h_to_c_2_2
74817 h_to_c_0_4 = -1*h_to_c_1_3
74818 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74819 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74820 h_to_c_3_4 = +2*alpha*h_to_c_2_3
74821 h_to_c_4_4 = +2*alpha*h_to_c_3_3
74822
74823 exp_drsq = exp(-alpha*dr*dr)
74824 exp_2drsq = exp_drsq*exp_drsq
74825
74826 rr1_delta = (ra - rb)/dr
74827
74828 rr1_l = ceiling(-r_c(1) + rr1_delta)
74829 rr1_r = floor(r_c(1) + rr1_delta)
74830
74831 r1 = rr1_l*dr
74832
74833 alpha_e = zeta*zetb/(zeta + zetb)
74834
74835 DO rr1 = rr1_l, rr1_r
74836 s_r_t_0 = 0.0_dp
74837 s_r_t2_0 = 0.0_dp
74838 s_r_t_1 = 0.0_dp
74839 s_r_t2_1 = 0.0_dp
74840 s_r_t_2 = 0.0_dp
74841 s_r_t2_2 = 0.0_dp
74842 s_r_t_3 = 0.0_dp
74843 s_r_t2_3 = 0.0_dp
74844 s_r_t_4 = 0.0_dp
74845 s_r_t2_4 = 0.0_dp
74846 r_tmp = r_offset + r1*zeta/(zeta + zetb)
74847 rr2_delta = -r_tmp/dr
74848
74849 rr2_l = ceiling(-r_c(2) + rr2_delta)
74850 rr2_r = floor(r_c(2) + rr2_delta)
74851
74852 r = r_tmp + (rr2_l)*dr
74853
74854 exp2_2rdr = exp(-2*alpha*r*dr)
74855 exp2_rsq = exp(-alpha*r*r)
74856
74857 DO rr2 = rr2_l, rr2_r
74858 r_pow_t = 1.0_dp
74859 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74860 r_pow_t = r_pow_t*r
74861 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74862 r_pow_t = r_pow_t*r
74863 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74864 r_pow_t = r_pow_t*r
74865 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74866 r_pow_t = r_pow_t*r
74867 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74868
74869 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74870 exp2_2rdr = exp2_2rdr*exp_2drsq
74871 r = r + dr
74872 END DO
74873
74874 ! C --> H
74875 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74876 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74877 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74878 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74879 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74880 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74881 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74882 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74883 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74884 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74885 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74886 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74887 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74888 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74889 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74890
74891 ! H --> HH
74892 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74893
74894 c1 = 1.0_dp/(zeta + zetb)
74895 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74896 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74897
74898 e_0_1_0 = zeta*( &
74899 +c2*e_0_0_0&
74900
74901 )
74902 e_0_0_1 = zetb*( &
74903 +c3*e_0_0_0&
74904
74905 )
74906 e_1_1_0 = zeta*( c1*e_0_0_0 &
74907
74908
74909 )
74910 e_1_0_1 = zetb*( c1*e_0_0_0 &
74911
74912
74913 )
74914 e_0_2_0 = zeta*( &
74915 +c2*e_0_1_0&
74916 +2*e_1_1_0 &
74917 -2*e_0_0_0)
74918 e_0_1_1 = zetb*( &
74919 +c3*e_0_1_0&
74920 +2*e_1_1_0 &
74921 )
74922 e_1_2_0 = zeta*( c1*e_0_1_0 &
74923 +c2*e_1_1_0&
74924
74925 )
74926 e_1_1_1 = zetb*( c1*e_0_1_0 &
74927 +c3*e_1_1_0&
74928
74929 )
74930 e_2_2_0 = zeta*( c1*e_1_1_0 &
74931
74932
74933 )
74934 e_2_1_1 = zetb*( c1*e_1_1_0 &
74935
74936
74937 )
74938 e_0_2_1 = zetb*( &
74939 +c3*e_0_2_0&
74940 +2*e_1_2_0 &
74941 )
74942 e_1_2_1 = zetb*( c1*e_0_2_0 &
74943 +c3*e_1_2_0&
74944 +4*e_2_2_0 &
74945 )
74946 e_2_2_1 = zetb*( c1*e_1_2_0 &
74947 +c3*e_2_2_0&
74948
74949 )
74950 e_3_2_1 = zetb*( c1*e_2_2_0 &
74951
74952
74953 )
74954 e_0_1_1 = zeta*( &
74955 +c2*e_0_0_1&
74956 +2*e_1_0_1 &
74957 )
74958 e_0_0_2 = zetb*( &
74959 +c3*e_0_0_1&
74960 +2*e_1_0_1 &
74961 -2*e_0_0_0)
74962 e_1_1_1 = zeta*( c1*e_0_0_1 &
74963 +c2*e_1_0_1&
74964
74965 )
74966 e_1_0_2 = zetb*( c1*e_0_0_1 &
74967 +c3*e_1_0_1&
74968
74969 )
74970 e_2_1_1 = zeta*( c1*e_1_0_1 &
74971
74972
74973 )
74974 e_2_0_2 = zetb*( c1*e_1_0_1 &
74975
74976
74977 )
74978 e_0_2_1 = zeta*( &
74979 +c2*e_0_1_1&
74980 +2*e_1_1_1 &
74981 -2*e_0_0_1)
74982 e_0_1_2 = zetb*( &
74983 +c3*e_0_1_1&
74984 +2*e_1_1_1 &
74985 -2*e_0_1_0)
74986 e_1_2_1 = zeta*( c1*e_0_1_1 &
74987 +c2*e_1_1_1&
74988 +4*e_2_1_1 &
74989 -2*e_1_0_1)
74990 e_1_1_2 = zetb*( c1*e_0_1_1 &
74991 +c3*e_1_1_1&
74992 +4*e_2_1_1 &
74993 -2*e_1_1_0)
74994 e_2_2_1 = zeta*( c1*e_1_1_1 &
74995 +c2*e_2_1_1&
74996
74997 )
74998 e_2_1_2 = zetb*( c1*e_1_1_1 &
74999 +c3*e_2_1_1&
75000
75001 )
75002 e_3_2_1 = zeta*( c1*e_2_1_1 &
75003
75004
75005 )
75006 e_3_1_2 = zetb*( c1*e_2_1_1 &
75007
75008
75009 )
75010 e_0_2_2 = zetb*( &
75011 +c3*e_0_2_1&
75012 +2*e_1_2_1 &
75013 -2*e_0_2_0)
75014 e_1_2_2 = zetb*( c1*e_0_2_1 &
75015 +c3*e_1_2_1&
75016 +4*e_2_2_1 &
75017 -2*e_1_2_0)
75018 e_2_2_2 = zetb*( c1*e_1_2_1 &
75019 +c3*e_2_2_1&
75020 +6*e_3_2_1 &
75021 -2*e_2_2_0)
75022 e_3_2_2 = zetb*( c1*e_2_2_1 &
75023 +c3*e_3_2_1&
75024
75025 )
75026 e_4_2_2 = zetb*( c1*e_3_2_1 &
75027
75028
75029 )
75030 e_0_1_2 = zeta*( &
75031 +c2*e_0_0_2&
75032 +2*e_1_0_2 &
75033 )
75034 e_1_1_2 = zeta*( c1*e_0_0_2 &
75035 +c2*e_1_0_2&
75036 +4*e_2_0_2 &
75037 )
75038 e_2_1_2 = zeta*( c1*e_1_0_2 &
75039 +c2*e_2_0_2&
75040
75041 )
75042 e_3_1_2 = zeta*( c1*e_2_0_2 &
75043
75044
75045 )
75046 e_0_2_2 = zeta*( &
75047 +c2*e_0_1_2&
75048 +2*e_1_1_2 &
75049 -2*e_0_0_2)
75050 e_1_2_2 = zeta*( c1*e_0_1_2 &
75051 +c2*e_1_1_2&
75052 +4*e_2_1_2 &
75053 -2*e_1_0_2)
75054 e_2_2_2 = zeta*( c1*e_1_1_2 &
75055 +c2*e_2_1_2&
75056 +6*e_3_1_2 &
75057 -2*e_2_0_2)
75058 e_3_2_2 = zeta*( c1*e_2_1_2 &
75059 +c2*e_3_1_2&
75060
75061 )
75062 e_4_2_2 = zeta*( c1*e_3_1_2 &
75063
75064
75065 )
75066
75067 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75068 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75069 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75070 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75071 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75072 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75073 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75074 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75075 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75076 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75077 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75078 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75079 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75080 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75081 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75082 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75083 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75084 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75085 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75086 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75087 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75088 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75089 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75090 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75091 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75092 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75093 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75094 r1 = r1 + dr
75095 END DO
75096
75097 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75098 END SUBROUTINE
75099 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_1_exp_1 ( &
75100 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75101 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75102 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75103 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75104 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75105 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75106 r_pow_t, r_tmp, rr1_delta, rr2_delta
75107
75108 REAL(kind=dp) :: c1, c2, c3
75109 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
75110 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
75111 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75112 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75113 & h_to_c_4_5, h_to_c_5_5
75114 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75115 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75116 & e_3_2_2, e_4_2_2
75117
75118 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75119
75120 dr = lgth
75121 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75122
75123 s_r(:, :, :) = 0.0_dp
75124
75125 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75126
75127 h_to_c_0_0 = sqrt(alpha/pi)
75128
75129 h_to_c_0_1 = 0.0_dp
75130 h_to_c_1_1 = +2*alpha*h_to_c_0_0
75131 h_to_c_0_2 = -1*h_to_c_1_1
75132 h_to_c_1_2 = +2*alpha*h_to_c_0_1
75133 h_to_c_2_2 = +2*alpha*h_to_c_1_1
75134 h_to_c_0_3 = -1*h_to_c_1_2
75135 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75136 h_to_c_2_3 = +2*alpha*h_to_c_1_2
75137 h_to_c_3_3 = +2*alpha*h_to_c_2_2
75138 h_to_c_0_4 = -1*h_to_c_1_3
75139 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75140 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75141 h_to_c_3_4 = +2*alpha*h_to_c_2_3
75142 h_to_c_4_4 = +2*alpha*h_to_c_3_3
75143 h_to_c_0_5 = -1*h_to_c_1_4
75144 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75145 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75146 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75147 h_to_c_4_5 = +2*alpha*h_to_c_3_4
75148 h_to_c_5_5 = +2*alpha*h_to_c_4_4
75149
75150 exp_drsq = exp(-alpha*dr*dr)
75151 exp_2drsq = exp_drsq*exp_drsq
75152
75153 rr1_delta = (ra - rb)/dr
75154
75155 rr1_l = ceiling(-r_c(1) + rr1_delta)
75156 rr1_r = floor(r_c(1) + rr1_delta)
75157
75158 r1 = rr1_l*dr
75159
75160 alpha_e = zeta*zetb/(zeta + zetb)
75161
75162 DO rr1 = rr1_l, rr1_r
75163 s_r_t_0 = 0.0_dp
75164 s_r_t2_0 = 0.0_dp
75165 s_r_t_1 = 0.0_dp
75166 s_r_t2_1 = 0.0_dp
75167 s_r_t_2 = 0.0_dp
75168 s_r_t2_2 = 0.0_dp
75169 s_r_t_3 = 0.0_dp
75170 s_r_t2_3 = 0.0_dp
75171 s_r_t_4 = 0.0_dp
75172 s_r_t2_4 = 0.0_dp
75173 s_r_t_5 = 0.0_dp
75174 s_r_t2_5 = 0.0_dp
75175 r_tmp = r_offset + r1*zeta/(zeta + zetb)
75176 rr2_delta = -r_tmp/dr
75177
75178 rr2_l = ceiling(-r_c(2) + rr2_delta)
75179 rr2_r = floor(r_c(2) + rr2_delta)
75180
75181 r = r_tmp + (rr2_l)*dr
75182
75183 exp2_2rdr = exp(-2*alpha*r*dr)
75184 exp2_rsq = exp(-alpha*r*r)
75185
75186 DO rr2 = rr2_l, rr2_r
75187 r_pow_t = 1.0_dp
75188 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75189 r_pow_t = r_pow_t*r
75190 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75191 r_pow_t = r_pow_t*r
75192 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75193 r_pow_t = r_pow_t*r
75194 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75195 r_pow_t = r_pow_t*r
75196 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75197 r_pow_t = r_pow_t*r
75198 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75199
75200 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75201 exp2_2rdr = exp2_2rdr*exp_2drsq
75202 r = r + dr
75203 END DO
75204
75205 ! C --> H
75206 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
75207 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
75208 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
75209 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
75210 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
75211 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
75212 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
75213 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
75214 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
75215 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
75216 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
75217 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
75218 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
75219 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
75220 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
75221 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
75222 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
75223 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
75224 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
75225 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
75226 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
75227
75228 ! H --> HH
75229 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
75230
75231 c1 = 1.0_dp/(zeta + zetb)
75232 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
75233 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
75234
75235 e_0_1_0 = zeta*( &
75236 +c2*e_0_0_0&
75237
75238 )
75239 e_0_0_1 = zetb*( &
75240 +c3*e_0_0_0&
75241
75242 )
75243 e_1_1_0 = zeta*( c1*e_0_0_0 &
75244
75245
75246 )
75247 e_1_0_1 = zetb*( c1*e_0_0_0 &
75248
75249
75250 )
75251 e_0_2_0 = zeta*( &
75252 +c2*e_0_1_0&
75253 +2*e_1_1_0 &
75254 -2*e_0_0_0)
75255 e_0_1_1 = zetb*( &
75256 +c3*e_0_1_0&
75257 +2*e_1_1_0 &
75258 )
75259 e_1_2_0 = zeta*( c1*e_0_1_0 &
75260 +c2*e_1_1_0&
75261
75262 )
75263 e_1_1_1 = zetb*( c1*e_0_1_0 &
75264 +c3*e_1_1_0&
75265
75266 )
75267 e_2_2_0 = zeta*( c1*e_1_1_0 &
75268
75269
75270 )
75271 e_2_1_1 = zetb*( c1*e_1_1_0 &
75272
75273
75274 )
75275 e_0_2_1 = zetb*( &
75276 +c3*e_0_2_0&
75277 +2*e_1_2_0 &
75278 )
75279 e_1_2_1 = zetb*( c1*e_0_2_0 &
75280 +c3*e_1_2_0&
75281 +4*e_2_2_0 &
75282 )
75283 e_2_2_1 = zetb*( c1*e_1_2_0 &
75284 +c3*e_2_2_0&
75285
75286 )
75287 e_3_2_1 = zetb*( c1*e_2_2_0 &
75288
75289
75290 )
75291 e_0_1_1 = zeta*( &
75292 +c2*e_0_0_1&
75293 +2*e_1_0_1 &
75294 )
75295 e_0_0_2 = zetb*( &
75296 +c3*e_0_0_1&
75297 +2*e_1_0_1 &
75298 -2*e_0_0_0)
75299 e_1_1_1 = zeta*( c1*e_0_0_1 &
75300 +c2*e_1_0_1&
75301
75302 )
75303 e_1_0_2 = zetb*( c1*e_0_0_1 &
75304 +c3*e_1_0_1&
75305
75306 )
75307 e_2_1_1 = zeta*( c1*e_1_0_1 &
75308
75309
75310 )
75311 e_2_0_2 = zetb*( c1*e_1_0_1 &
75312
75313
75314 )
75315 e_0_2_1 = zeta*( &
75316 +c2*e_0_1_1&
75317 +2*e_1_1_1 &
75318 -2*e_0_0_1)
75319 e_0_1_2 = zetb*( &
75320 +c3*e_0_1_1&
75321 +2*e_1_1_1 &
75322 -2*e_0_1_0)
75323 e_1_2_1 = zeta*( c1*e_0_1_1 &
75324 +c2*e_1_1_1&
75325 +4*e_2_1_1 &
75326 -2*e_1_0_1)
75327 e_1_1_2 = zetb*( c1*e_0_1_1 &
75328 +c3*e_1_1_1&
75329 +4*e_2_1_1 &
75330 -2*e_1_1_0)
75331 e_2_2_1 = zeta*( c1*e_1_1_1 &
75332 +c2*e_2_1_1&
75333
75334 )
75335 e_2_1_2 = zetb*( c1*e_1_1_1 &
75336 +c3*e_2_1_1&
75337
75338 )
75339 e_3_2_1 = zeta*( c1*e_2_1_1 &
75340
75341
75342 )
75343 e_3_1_2 = zetb*( c1*e_2_1_1 &
75344
75345
75346 )
75347 e_0_2_2 = zetb*( &
75348 +c3*e_0_2_1&
75349 +2*e_1_2_1 &
75350 -2*e_0_2_0)
75351 e_1_2_2 = zetb*( c1*e_0_2_1 &
75352 +c3*e_1_2_1&
75353 +4*e_2_2_1 &
75354 -2*e_1_2_0)
75355 e_2_2_2 = zetb*( c1*e_1_2_1 &
75356 +c3*e_2_2_1&
75357 +6*e_3_2_1 &
75358 -2*e_2_2_0)
75359 e_3_2_2 = zetb*( c1*e_2_2_1 &
75360 +c3*e_3_2_1&
75361
75362 )
75363 e_4_2_2 = zetb*( c1*e_3_2_1 &
75364
75365
75366 )
75367 e_0_1_2 = zeta*( &
75368 +c2*e_0_0_2&
75369 +2*e_1_0_2 &
75370 )
75371 e_1_1_2 = zeta*( c1*e_0_0_2 &
75372 +c2*e_1_0_2&
75373 +4*e_2_0_2 &
75374 )
75375 e_2_1_2 = zeta*( c1*e_1_0_2 &
75376 +c2*e_2_0_2&
75377
75378 )
75379 e_3_1_2 = zeta*( c1*e_2_0_2 &
75380
75381
75382 )
75383 e_0_2_2 = zeta*( &
75384 +c2*e_0_1_2&
75385 +2*e_1_1_2 &
75386 -2*e_0_0_2)
75387 e_1_2_2 = zeta*( c1*e_0_1_2 &
75388 +c2*e_1_1_2&
75389 +4*e_2_1_2 &
75390 -2*e_1_0_2)
75391 e_2_2_2 = zeta*( c1*e_1_1_2 &
75392 +c2*e_2_1_2&
75393 +6*e_3_1_2 &
75394 -2*e_2_0_2)
75395 e_3_2_2 = zeta*( c1*e_2_1_2 &
75396 +c2*e_3_1_2&
75397
75398 )
75399 e_4_2_2 = zeta*( c1*e_3_1_2 &
75400
75401
75402 )
75403
75404 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75405 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75406 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75407 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75408 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75409 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75410 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75411 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75412 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75413 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75414 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75415 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75416 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75417 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75418 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75419 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75420 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75421 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75422 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75423 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75424 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75425 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75426 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75427 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75428 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75429 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75430 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75431 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
75432 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
75433 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
75434 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
75435 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
75436 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
75437 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
75438 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
75439 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
75440 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
75441 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
75442 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
75443 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
75444 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
75445 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
75446 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
75447 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
75448 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
75449 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
75450 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
75451 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
75452 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
75453 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
75454 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
75455 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
75456 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
75457 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
75458 r1 = r1 + dr
75459 END DO
75460
75461 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75462 END SUBROUTINE
75463 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_2_exp_1 ( &
75464 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75465 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75466 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75467 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75468 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75469 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75470 r_pow_t, r_tmp, rr1_delta, rr2_delta
75471
75472 REAL(kind=dp) :: c1, c2, c3
75473 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
75474 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
75475 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75476 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75477 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
75478 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75479 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75480 & e_3_2_2, e_4_2_2
75481
75482 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75483
75484 dr = lgth
75485 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75486
75487 s_r(:, :, :) = 0.0_dp
75488
75489 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75490
75491 h_to_c_0_0 = sqrt(alpha/pi)
75492
75493 h_to_c_0_1 = 0.0_dp
75494 h_to_c_1_1 = +2*alpha*h_to_c_0_0
75495 h_to_c_0_2 = -1*h_to_c_1_1
75496 h_to_c_1_2 = +2*alpha*h_to_c_0_1
75497 h_to_c_2_2 = +2*alpha*h_to_c_1_1
75498 h_to_c_0_3 = -1*h_to_c_1_2
75499 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75500 h_to_c_2_3 = +2*alpha*h_to_c_1_2
75501 h_to_c_3_3 = +2*alpha*h_to_c_2_2
75502 h_to_c_0_4 = -1*h_to_c_1_3
75503 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75504 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75505 h_to_c_3_4 = +2*alpha*h_to_c_2_3
75506 h_to_c_4_4 = +2*alpha*h_to_c_3_3
75507 h_to_c_0_5 = -1*h_to_c_1_4
75508 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75509 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75510 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75511 h_to_c_4_5 = +2*alpha*h_to_c_3_4
75512 h_to_c_5_5 = +2*alpha*h_to_c_4_4
75513 h_to_c_0_6 = -1*h_to_c_1_5
75514 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
75515 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
75516 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
75517 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
75518 h_to_c_5_6 = +2*alpha*h_to_c_4_5
75519 h_to_c_6_6 = +2*alpha*h_to_c_5_5
75520
75521 exp_drsq = exp(-alpha*dr*dr)
75522 exp_2drsq = exp_drsq*exp_drsq
75523
75524 rr1_delta = (ra - rb)/dr
75525
75526 rr1_l = ceiling(-r_c(1) + rr1_delta)
75527 rr1_r = floor(r_c(1) + rr1_delta)
75528
75529 r1 = rr1_l*dr
75530
75531 alpha_e = zeta*zetb/(zeta + zetb)
75532
75533 DO rr1 = rr1_l, rr1_r
75534 s_r_t_0 = 0.0_dp
75535 s_r_t2_0 = 0.0_dp
75536 s_r_t_1 = 0.0_dp
75537 s_r_t2_1 = 0.0_dp
75538 s_r_t_2 = 0.0_dp
75539 s_r_t2_2 = 0.0_dp
75540 s_r_t_3 = 0.0_dp
75541 s_r_t2_3 = 0.0_dp
75542 s_r_t_4 = 0.0_dp
75543 s_r_t2_4 = 0.0_dp
75544 s_r_t_5 = 0.0_dp
75545 s_r_t2_5 = 0.0_dp
75546 s_r_t_6 = 0.0_dp
75547 s_r_t2_6 = 0.0_dp
75548 r_tmp = r_offset + r1*zeta/(zeta + zetb)
75549 rr2_delta = -r_tmp/dr
75550
75551 rr2_l = ceiling(-r_c(2) + rr2_delta)
75552 rr2_r = floor(r_c(2) + rr2_delta)
75553
75554 r = r_tmp + (rr2_l)*dr
75555
75556 exp2_2rdr = exp(-2*alpha*r*dr)
75557 exp2_rsq = exp(-alpha*r*r)
75558
75559 DO rr2 = rr2_l, rr2_r
75560 r_pow_t = 1.0_dp
75561 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75562 r_pow_t = r_pow_t*r
75563 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75564 r_pow_t = r_pow_t*r
75565 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75566 r_pow_t = r_pow_t*r
75567 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75568 r_pow_t = r_pow_t*r
75569 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75570 r_pow_t = r_pow_t*r
75571 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75572 r_pow_t = r_pow_t*r
75573 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
75574
75575 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75576 exp2_2rdr = exp2_2rdr*exp_2drsq
75577 r = r + dr
75578 END DO
75579
75580 ! C --> H
75581 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
75582 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
75583 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
75584 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
75585 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
75586 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
75587 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
75588 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
75589 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
75590 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
75591 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
75592 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
75593 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
75594 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
75595 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
75596 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
75597 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
75598 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
75599 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
75600 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
75601 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
75602 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
75603 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
75604 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
75605 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
75606 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
75607 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
75608 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
75609
75610 ! H --> HH
75611 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
75612
75613 c1 = 1.0_dp/(zeta + zetb)
75614 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
75615 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
75616
75617 e_0_1_0 = zeta*( &
75618 +c2*e_0_0_0&
75619
75620 )
75621 e_0_0_1 = zetb*( &
75622 +c3*e_0_0_0&
75623
75624 )
75625 e_1_1_0 = zeta*( c1*e_0_0_0 &
75626
75627
75628 )
75629 e_1_0_1 = zetb*( c1*e_0_0_0 &
75630
75631
75632 )
75633 e_0_2_0 = zeta*( &
75634 +c2*e_0_1_0&
75635 +2*e_1_1_0 &
75636 -2*e_0_0_0)
75637 e_0_1_1 = zetb*( &
75638 +c3*e_0_1_0&
75639 +2*e_1_1_0 &
75640 )
75641 e_1_2_0 = zeta*( c1*e_0_1_0 &
75642 +c2*e_1_1_0&
75643
75644 )
75645 e_1_1_1 = zetb*( c1*e_0_1_0 &
75646 +c3*e_1_1_0&
75647
75648 )
75649 e_2_2_0 = zeta*( c1*e_1_1_0 &
75650
75651
75652 )
75653 e_2_1_1 = zetb*( c1*e_1_1_0 &
75654
75655
75656 )
75657 e_0_2_1 = zetb*( &
75658 +c3*e_0_2_0&
75659 +2*e_1_2_0 &
75660 )
75661 e_1_2_1 = zetb*( c1*e_0_2_0 &
75662 +c3*e_1_2_0&
75663 +4*e_2_2_0 &
75664 )
75665 e_2_2_1 = zetb*( c1*e_1_2_0 &
75666 +c3*e_2_2_0&
75667
75668 )
75669 e_3_2_1 = zetb*( c1*e_2_2_0 &
75670
75671
75672 )
75673 e_0_1_1 = zeta*( &
75674 +c2*e_0_0_1&
75675 +2*e_1_0_1 &
75676 )
75677 e_0_0_2 = zetb*( &
75678 +c3*e_0_0_1&
75679 +2*e_1_0_1 &
75680 -2*e_0_0_0)
75681 e_1_1_1 = zeta*( c1*e_0_0_1 &
75682 +c2*e_1_0_1&
75683
75684 )
75685 e_1_0_2 = zetb*( c1*e_0_0_1 &
75686 +c3*e_1_0_1&
75687
75688 )
75689 e_2_1_1 = zeta*( c1*e_1_0_1 &
75690
75691
75692 )
75693 e_2_0_2 = zetb*( c1*e_1_0_1 &
75694
75695
75696 )
75697 e_0_2_1 = zeta*( &
75698 +c2*e_0_1_1&
75699 +2*e_1_1_1 &
75700 -2*e_0_0_1)
75701 e_0_1_2 = zetb*( &
75702 +c3*e_0_1_1&
75703 +2*e_1_1_1 &
75704 -2*e_0_1_0)
75705 e_1_2_1 = zeta*( c1*e_0_1_1 &
75706 +c2*e_1_1_1&
75707 +4*e_2_1_1 &
75708 -2*e_1_0_1)
75709 e_1_1_2 = zetb*( c1*e_0_1_1 &
75710 +c3*e_1_1_1&
75711 +4*e_2_1_1 &
75712 -2*e_1_1_0)
75713 e_2_2_1 = zeta*( c1*e_1_1_1 &
75714 +c2*e_2_1_1&
75715
75716 )
75717 e_2_1_2 = zetb*( c1*e_1_1_1 &
75718 +c3*e_2_1_1&
75719
75720 )
75721 e_3_2_1 = zeta*( c1*e_2_1_1 &
75722
75723
75724 )
75725 e_3_1_2 = zetb*( c1*e_2_1_1 &
75726
75727
75728 )
75729 e_0_2_2 = zetb*( &
75730 +c3*e_0_2_1&
75731 +2*e_1_2_1 &
75732 -2*e_0_2_0)
75733 e_1_2_2 = zetb*( c1*e_0_2_1 &
75734 +c3*e_1_2_1&
75735 +4*e_2_2_1 &
75736 -2*e_1_2_0)
75737 e_2_2_2 = zetb*( c1*e_1_2_1 &
75738 +c3*e_2_2_1&
75739 +6*e_3_2_1 &
75740 -2*e_2_2_0)
75741 e_3_2_2 = zetb*( c1*e_2_2_1 &
75742 +c3*e_3_2_1&
75743
75744 )
75745 e_4_2_2 = zetb*( c1*e_3_2_1 &
75746
75747
75748 )
75749 e_0_1_2 = zeta*( &
75750 +c2*e_0_0_2&
75751 +2*e_1_0_2 &
75752 )
75753 e_1_1_2 = zeta*( c1*e_0_0_2 &
75754 +c2*e_1_0_2&
75755 +4*e_2_0_2 &
75756 )
75757 e_2_1_2 = zeta*( c1*e_1_0_2 &
75758 +c2*e_2_0_2&
75759
75760 )
75761 e_3_1_2 = zeta*( c1*e_2_0_2 &
75762
75763
75764 )
75765 e_0_2_2 = zeta*( &
75766 +c2*e_0_1_2&
75767 +2*e_1_1_2 &
75768 -2*e_0_0_2)
75769 e_1_2_2 = zeta*( c1*e_0_1_2 &
75770 +c2*e_1_1_2&
75771 +4*e_2_1_2 &
75772 -2*e_1_0_2)
75773 e_2_2_2 = zeta*( c1*e_1_1_2 &
75774 +c2*e_2_1_2&
75775 +6*e_3_1_2 &
75776 -2*e_2_0_2)
75777 e_3_2_2 = zeta*( c1*e_2_1_2 &
75778 +c2*e_3_1_2&
75779
75780 )
75781 e_4_2_2 = zeta*( c1*e_3_1_2 &
75782
75783
75784 )
75785
75786 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75787 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75788 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75789 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75790 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75791 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75792 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75793 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75794 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75795 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75796 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75797 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75798 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75799 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75800 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75801 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75802 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75803 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75804 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75805 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75806 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75807 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75808 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75809 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75810 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75811 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75812 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75813 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
75814 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
75815 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
75816 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
75817 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
75818 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
75819 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
75820 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
75821 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
75822 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
75823 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
75824 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
75825 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
75826 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
75827 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
75828 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
75829 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
75830 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
75831 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
75832 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
75833 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
75834 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
75835 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
75836 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
75837 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
75838 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
75839 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
75840 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
75841 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
75842 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
75843 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75844 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
75845 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
75846 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
75847 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
75848 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75849 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
75850 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
75851 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75852 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75853 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
75854 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
75855 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75856 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
75857 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
75858 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75859 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75860 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
75861 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
75862 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75863 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75864 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75865 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
75866 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
75867 r1 = r1 + dr
75868 END DO
75869
75870 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75871 END SUBROUTINE
75872 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_3_exp_1 ( &
75873 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75874 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75875 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75876 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75877 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75878 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75879 r_pow_t, r_tmp, rr1_delta, rr2_delta
75880
75881 REAL(kind=dp) :: c1, c2, c3
75882 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
75883 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
75884 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75885 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75886 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
75887 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
75888 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75889 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75890 & e_3_2_2, e_4_2_2
75891
75892 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75893
75894 dr = lgth
75895 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75896
75897 s_r(:, :, :) = 0.0_dp
75898
75899 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75900
75901 h_to_c_0_0 = sqrt(alpha/pi)
75902
75903 h_to_c_0_1 = 0.0_dp
75904 h_to_c_1_1 = +2*alpha*h_to_c_0_0
75905 h_to_c_0_2 = -1*h_to_c_1_1
75906 h_to_c_1_2 = +2*alpha*h_to_c_0_1
75907 h_to_c_2_2 = +2*alpha*h_to_c_1_1
75908 h_to_c_0_3 = -1*h_to_c_1_2
75909 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75910 h_to_c_2_3 = +2*alpha*h_to_c_1_2
75911 h_to_c_3_3 = +2*alpha*h_to_c_2_2
75912 h_to_c_0_4 = -1*h_to_c_1_3
75913 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75914 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75915 h_to_c_3_4 = +2*alpha*h_to_c_2_3
75916 h_to_c_4_4 = +2*alpha*h_to_c_3_3
75917 h_to_c_0_5 = -1*h_to_c_1_4
75918 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75919 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75920 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75921 h_to_c_4_5 = +2*alpha*h_to_c_3_4
75922 h_to_c_5_5 = +2*alpha*h_to_c_4_4
75923 h_to_c_0_6 = -1*h_to_c_1_5
75924 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
75925 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
75926 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
75927 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
75928 h_to_c_5_6 = +2*alpha*h_to_c_4_5
75929 h_to_c_6_6 = +2*alpha*h_to_c_5_5
75930 h_to_c_0_7 = -1*h_to_c_1_6
75931 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
75932 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
75933 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
75934 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
75935 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
75936 h_to_c_6_7 = +2*alpha*h_to_c_5_6
75937 h_to_c_7_7 = +2*alpha*h_to_c_6_6
75938
75939 exp_drsq = exp(-alpha*dr*dr)
75940 exp_2drsq = exp_drsq*exp_drsq
75941
75942 rr1_delta = (ra - rb)/dr
75943
75944 rr1_l = ceiling(-r_c(1) + rr1_delta)
75945 rr1_r = floor(r_c(1) + rr1_delta)
75946
75947 r1 = rr1_l*dr
75948
75949 alpha_e = zeta*zetb/(zeta + zetb)
75950
75951 DO rr1 = rr1_l, rr1_r
75952 s_r_t_0 = 0.0_dp
75953 s_r_t2_0 = 0.0_dp
75954 s_r_t_1 = 0.0_dp
75955 s_r_t2_1 = 0.0_dp
75956 s_r_t_2 = 0.0_dp
75957 s_r_t2_2 = 0.0_dp
75958 s_r_t_3 = 0.0_dp
75959 s_r_t2_3 = 0.0_dp
75960 s_r_t_4 = 0.0_dp
75961 s_r_t2_4 = 0.0_dp
75962 s_r_t_5 = 0.0_dp
75963 s_r_t2_5 = 0.0_dp
75964 s_r_t_6 = 0.0_dp
75965 s_r_t2_6 = 0.0_dp
75966 s_r_t_7 = 0.0_dp
75967 s_r_t2_7 = 0.0_dp
75968 r_tmp = r_offset + r1*zeta/(zeta + zetb)
75969 rr2_delta = -r_tmp/dr
75970
75971 rr2_l = ceiling(-r_c(2) + rr2_delta)
75972 rr2_r = floor(r_c(2) + rr2_delta)
75973
75974 r = r_tmp + (rr2_l)*dr
75975
75976 exp2_2rdr = exp(-2*alpha*r*dr)
75977 exp2_rsq = exp(-alpha*r*r)
75978
75979 DO rr2 = rr2_l, rr2_r
75980 r_pow_t = 1.0_dp
75981 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75982 r_pow_t = r_pow_t*r
75983 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75984 r_pow_t = r_pow_t*r
75985 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75986 r_pow_t = r_pow_t*r
75987 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75988 r_pow_t = r_pow_t*r
75989 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75990 r_pow_t = r_pow_t*r
75991 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75992 r_pow_t = r_pow_t*r
75993 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
75994 r_pow_t = r_pow_t*r
75995 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
75996
75997 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75998 exp2_2rdr = exp2_2rdr*exp_2drsq
75999 r = r + dr
76000 END DO
76001
76002 ! C --> H
76003 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76004 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76005 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76006 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76007 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76008 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76009 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76010 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76011 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76012 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76013 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76014 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76015 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76016 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76017 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76018 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76019 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76020 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76021 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76022 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76023 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76024 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
76025 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
76026 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
76027 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
76028 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
76029 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
76030 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
76031 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
76032 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
76033 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
76034 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
76035 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
76036 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
76037 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
76038 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
76039
76040 ! H --> HH
76041 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76042
76043 c1 = 1.0_dp/(zeta + zetb)
76044 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76045 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76046
76047 e_0_1_0 = zeta*( &
76048 +c2*e_0_0_0&
76049
76050 )
76051 e_0_0_1 = zetb*( &
76052 +c3*e_0_0_0&
76053
76054 )
76055 e_1_1_0 = zeta*( c1*e_0_0_0 &
76056
76057
76058 )
76059 e_1_0_1 = zetb*( c1*e_0_0_0 &
76060
76061
76062 )
76063 e_0_2_0 = zeta*( &
76064 +c2*e_0_1_0&
76065 +2*e_1_1_0 &
76066 -2*e_0_0_0)
76067 e_0_1_1 = zetb*( &
76068 +c3*e_0_1_0&
76069 +2*e_1_1_0 &
76070 )
76071 e_1_2_0 = zeta*( c1*e_0_1_0 &
76072 +c2*e_1_1_0&
76073
76074 )
76075 e_1_1_1 = zetb*( c1*e_0_1_0 &
76076 +c3*e_1_1_0&
76077
76078 )
76079 e_2_2_0 = zeta*( c1*e_1_1_0 &
76080
76081
76082 )
76083 e_2_1_1 = zetb*( c1*e_1_1_0 &
76084
76085
76086 )
76087 e_0_2_1 = zetb*( &
76088 +c3*e_0_2_0&
76089 +2*e_1_2_0 &
76090 )
76091 e_1_2_1 = zetb*( c1*e_0_2_0 &
76092 +c3*e_1_2_0&
76093 +4*e_2_2_0 &
76094 )
76095 e_2_2_1 = zetb*( c1*e_1_2_0 &
76096 +c3*e_2_2_0&
76097
76098 )
76099 e_3_2_1 = zetb*( c1*e_2_2_0 &
76100
76101
76102 )
76103 e_0_1_1 = zeta*( &
76104 +c2*e_0_0_1&
76105 +2*e_1_0_1 &
76106 )
76107 e_0_0_2 = zetb*( &
76108 +c3*e_0_0_1&
76109 +2*e_1_0_1 &
76110 -2*e_0_0_0)
76111 e_1_1_1 = zeta*( c1*e_0_0_1 &
76112 +c2*e_1_0_1&
76113
76114 )
76115 e_1_0_2 = zetb*( c1*e_0_0_1 &
76116 +c3*e_1_0_1&
76117
76118 )
76119 e_2_1_1 = zeta*( c1*e_1_0_1 &
76120
76121
76122 )
76123 e_2_0_2 = zetb*( c1*e_1_0_1 &
76124
76125
76126 )
76127 e_0_2_1 = zeta*( &
76128 +c2*e_0_1_1&
76129 +2*e_1_1_1 &
76130 -2*e_0_0_1)
76131 e_0_1_2 = zetb*( &
76132 +c3*e_0_1_1&
76133 +2*e_1_1_1 &
76134 -2*e_0_1_0)
76135 e_1_2_1 = zeta*( c1*e_0_1_1 &
76136 +c2*e_1_1_1&
76137 +4*e_2_1_1 &
76138 -2*e_1_0_1)
76139 e_1_1_2 = zetb*( c1*e_0_1_1 &
76140 +c3*e_1_1_1&
76141 +4*e_2_1_1 &
76142 -2*e_1_1_0)
76143 e_2_2_1 = zeta*( c1*e_1_1_1 &
76144 +c2*e_2_1_1&
76145
76146 )
76147 e_2_1_2 = zetb*( c1*e_1_1_1 &
76148 +c3*e_2_1_1&
76149
76150 )
76151 e_3_2_1 = zeta*( c1*e_2_1_1 &
76152
76153
76154 )
76155 e_3_1_2 = zetb*( c1*e_2_1_1 &
76156
76157
76158 )
76159 e_0_2_2 = zetb*( &
76160 +c3*e_0_2_1&
76161 +2*e_1_2_1 &
76162 -2*e_0_2_0)
76163 e_1_2_2 = zetb*( c1*e_0_2_1 &
76164 +c3*e_1_2_1&
76165 +4*e_2_2_1 &
76166 -2*e_1_2_0)
76167 e_2_2_2 = zetb*( c1*e_1_2_1 &
76168 +c3*e_2_2_1&
76169 +6*e_3_2_1 &
76170 -2*e_2_2_0)
76171 e_3_2_2 = zetb*( c1*e_2_2_1 &
76172 +c3*e_3_2_1&
76173
76174 )
76175 e_4_2_2 = zetb*( c1*e_3_2_1 &
76176
76177
76178 )
76179 e_0_1_2 = zeta*( &
76180 +c2*e_0_0_2&
76181 +2*e_1_0_2 &
76182 )
76183 e_1_1_2 = zeta*( c1*e_0_0_2 &
76184 +c2*e_1_0_2&
76185 +4*e_2_0_2 &
76186 )
76187 e_2_1_2 = zeta*( c1*e_1_0_2 &
76188 +c2*e_2_0_2&
76189
76190 )
76191 e_3_1_2 = zeta*( c1*e_2_0_2 &
76192
76193
76194 )
76195 e_0_2_2 = zeta*( &
76196 +c2*e_0_1_2&
76197 +2*e_1_1_2 &
76198 -2*e_0_0_2)
76199 e_1_2_2 = zeta*( c1*e_0_1_2 &
76200 +c2*e_1_1_2&
76201 +4*e_2_1_2 &
76202 -2*e_1_0_2)
76203 e_2_2_2 = zeta*( c1*e_1_1_2 &
76204 +c2*e_2_1_2&
76205 +6*e_3_1_2 &
76206 -2*e_2_0_2)
76207 e_3_2_2 = zeta*( c1*e_2_1_2 &
76208 +c2*e_3_1_2&
76209
76210 )
76211 e_4_2_2 = zeta*( c1*e_3_1_2 &
76212
76213
76214 )
76215
76216 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
76217 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
76218 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
76219 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
76220 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
76221 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76222 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
76223 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
76224 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
76225 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
76226 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76227 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
76228 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
76229 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76230 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76231 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
76232 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
76233 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76234 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
76235 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
76236 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76237 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76238 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
76239 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
76240 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76241 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76242 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76243 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
76244 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
76245 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
76246 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
76247 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
76248 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76249 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
76250 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
76251 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
76252 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
76253 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76254 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
76255 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
76256 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76257 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76258 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
76259 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
76260 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76261 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
76262 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
76263 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76264 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76265 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
76266 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
76267 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76268 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76269 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76270 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
76271 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
76272 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
76273 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76274 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
76275 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76276 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
76277 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
76278 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76279 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
76280 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76281 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76282 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76283 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76284 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76285 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76286 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
76287 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76288 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76289 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76290 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76291 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76292 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76293 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76294 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76295 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76296 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76297 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
76298 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
76299 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
76300 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76301 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
76302 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
76303 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
76304 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
76305 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76306 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
76307 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
76308 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76309 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76310 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
76311 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
76312 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76313 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
76314 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
76315 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76316 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76317 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
76318 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
76319 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76320 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76321 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76322 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
76323 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
76324 r1 = r1 + dr
76325 END DO
76326
76327 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
76328 END SUBROUTINE
76329 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_4_exp_1 ( &
76330 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
76331 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
76332 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
76333 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
76334 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
76335 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
76336 r_pow_t, r_tmp, rr1_delta, rr2_delta
76337
76338 REAL(kind=dp) :: c1, c2, c3
76339 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
76340 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
76341 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
76342 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
76343 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
76344 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
76345 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
76346 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
76347 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
76348 & e_3_2_2, e_4_2_2
76349
76350 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
76351
76352 dr = lgth
76353 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
76354
76355 s_r(:, :, :) = 0.0_dp
76356
76357 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
76358
76359 h_to_c_0_0 = sqrt(alpha/pi)
76360
76361 h_to_c_0_1 = 0.0_dp
76362 h_to_c_1_1 = +2*alpha*h_to_c_0_0
76363 h_to_c_0_2 = -1*h_to_c_1_1
76364 h_to_c_1_2 = +2*alpha*h_to_c_0_1
76365 h_to_c_2_2 = +2*alpha*h_to_c_1_1
76366 h_to_c_0_3 = -1*h_to_c_1_2
76367 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
76368 h_to_c_2_3 = +2*alpha*h_to_c_1_2
76369 h_to_c_3_3 = +2*alpha*h_to_c_2_2
76370 h_to_c_0_4 = -1*h_to_c_1_3
76371 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
76372 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
76373 h_to_c_3_4 = +2*alpha*h_to_c_2_3
76374 h_to_c_4_4 = +2*alpha*h_to_c_3_3
76375 h_to_c_0_5 = -1*h_to_c_1_4
76376 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
76377 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
76378 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
76379 h_to_c_4_5 = +2*alpha*h_to_c_3_4
76380 h_to_c_5_5 = +2*alpha*h_to_c_4_4
76381 h_to_c_0_6 = -1*h_to_c_1_5
76382 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
76383 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
76384 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
76385 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
76386 h_to_c_5_6 = +2*alpha*h_to_c_4_5
76387 h_to_c_6_6 = +2*alpha*h_to_c_5_5
76388 h_to_c_0_7 = -1*h_to_c_1_6
76389 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
76390 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
76391 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
76392 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
76393 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
76394 h_to_c_6_7 = +2*alpha*h_to_c_5_6
76395 h_to_c_7_7 = +2*alpha*h_to_c_6_6
76396 h_to_c_0_8 = -1*h_to_c_1_7
76397 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
76398 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
76399 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
76400 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
76401 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
76402 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
76403 h_to_c_7_8 = +2*alpha*h_to_c_6_7
76404 h_to_c_8_8 = +2*alpha*h_to_c_7_7
76405
76406 exp_drsq = exp(-alpha*dr*dr)
76407 exp_2drsq = exp_drsq*exp_drsq
76408
76409 rr1_delta = (ra - rb)/dr
76410
76411 rr1_l = ceiling(-r_c(1) + rr1_delta)
76412 rr1_r = floor(r_c(1) + rr1_delta)
76413
76414 r1 = rr1_l*dr
76415
76416 alpha_e = zeta*zetb/(zeta + zetb)
76417
76418 DO rr1 = rr1_l, rr1_r
76419 s_r_t_0 = 0.0_dp
76420 s_r_t2_0 = 0.0_dp
76421 s_r_t_1 = 0.0_dp
76422 s_r_t2_1 = 0.0_dp
76423 s_r_t_2 = 0.0_dp
76424 s_r_t2_2 = 0.0_dp
76425 s_r_t_3 = 0.0_dp
76426 s_r_t2_3 = 0.0_dp
76427 s_r_t_4 = 0.0_dp
76428 s_r_t2_4 = 0.0_dp
76429 s_r_t_5 = 0.0_dp
76430 s_r_t2_5 = 0.0_dp
76431 s_r_t_6 = 0.0_dp
76432 s_r_t2_6 = 0.0_dp
76433 s_r_t_7 = 0.0_dp
76434 s_r_t2_7 = 0.0_dp
76435 s_r_t_8 = 0.0_dp
76436 s_r_t2_8 = 0.0_dp
76437 r_tmp = r_offset + r1*zeta/(zeta + zetb)
76438 rr2_delta = -r_tmp/dr
76439
76440 rr2_l = ceiling(-r_c(2) + rr2_delta)
76441 rr2_r = floor(r_c(2) + rr2_delta)
76442
76443 r = r_tmp + (rr2_l)*dr
76444
76445 exp2_2rdr = exp(-2*alpha*r*dr)
76446 exp2_rsq = exp(-alpha*r*r)
76447
76448 DO rr2 = rr2_l, rr2_r
76449 r_pow_t = 1.0_dp
76450 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
76451 r_pow_t = r_pow_t*r
76452 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
76453 r_pow_t = r_pow_t*r
76454 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
76455 r_pow_t = r_pow_t*r
76456 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
76457 r_pow_t = r_pow_t*r
76458 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
76459 r_pow_t = r_pow_t*r
76460 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
76461 r_pow_t = r_pow_t*r
76462 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
76463 r_pow_t = r_pow_t*r
76464 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
76465 r_pow_t = r_pow_t*r
76466 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
76467
76468 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
76469 exp2_2rdr = exp2_2rdr*exp_2drsq
76470 r = r + dr
76471 END DO
76472
76473 ! C --> H
76474 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76475 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76476 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76477 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76478 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76479 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76480 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76481 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76482 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76483 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76484 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76485 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76486 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76487 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76488 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76489 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76490 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76491 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76492 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76493 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76494 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76495 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
76496 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
76497 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
76498 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
76499 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
76500 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
76501 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
76502 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
76503 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
76504 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
76505 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
76506 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
76507 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
76508 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
76509 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
76510 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
76511 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
76512 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
76513 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
76514 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
76515 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
76516 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
76517 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
76518 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
76519
76520 ! H --> HH
76521 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76522
76523 c1 = 1.0_dp/(zeta + zetb)
76524 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76525 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76526
76527 e_0_1_0 = zeta*( &
76528 +c2*e_0_0_0&
76529
76530 )
76531 e_0_0_1 = zetb*( &
76532 +c3*e_0_0_0&
76533
76534 )
76535 e_1_1_0 = zeta*( c1*e_0_0_0 &
76536
76537
76538 )
76539 e_1_0_1 = zetb*( c1*e_0_0_0 &
76540
76541
76542 )
76543 e_0_2_0 = zeta*( &
76544 +c2*e_0_1_0&
76545 +2*e_1_1_0 &
76546 -2*e_0_0_0)
76547 e_0_1_1 = zetb*( &
76548 +c3*e_0_1_0&
76549 +2*e_1_1_0 &
76550 )
76551 e_1_2_0 = zeta*( c1*e_0_1_0 &
76552 +c2*e_1_1_0&
76553
76554 )
76555 e_1_1_1 = zetb*( c1*e_0_1_0 &
76556 +c3*e_1_1_0&
76557
76558 )
76559 e_2_2_0 = zeta*( c1*e_1_1_0 &
76560
76561
76562 )
76563 e_2_1_1 = zetb*( c1*e_1_1_0 &
76564
76565
76566 )
76567 e_0_2_1 = zetb*( &
76568 +c3*e_0_2_0&
76569 +2*e_1_2_0 &
76570 )
76571 e_1_2_1 = zetb*( c1*e_0_2_0 &
76572 +c3*e_1_2_0&
76573 +4*e_2_2_0 &
76574 )
76575 e_2_2_1 = zetb*( c1*e_1_2_0 &
76576 +c3*e_2_2_0&
76577
76578 )
76579 e_3_2_1 = zetb*( c1*e_2_2_0 &
76580
76581
76582 )
76583 e_0_1_1 = zeta*( &
76584 +c2*e_0_0_1&
76585 +2*e_1_0_1 &
76586 )
76587 e_0_0_2 = zetb*( &
76588 +c3*e_0_0_1&
76589 +2*e_1_0_1 &
76590 -2*e_0_0_0)
76591 e_1_1_1 = zeta*( c1*e_0_0_1 &
76592 +c2*e_1_0_1&
76593
76594 )
76595 e_1_0_2 = zetb*( c1*e_0_0_1 &
76596 +c3*e_1_0_1&
76597
76598 )
76599 e_2_1_1 = zeta*( c1*e_1_0_1 &
76600
76601
76602 )
76603 e_2_0_2 = zetb*( c1*e_1_0_1 &
76604
76605
76606 )
76607 e_0_2_1 = zeta*( &
76608 +c2*e_0_1_1&
76609 +2*e_1_1_1 &
76610 -2*e_0_0_1)
76611 e_0_1_2 = zetb*( &
76612 +c3*e_0_1_1&
76613 +2*e_1_1_1 &
76614 -2*e_0_1_0)
76615 e_1_2_1 = zeta*( c1*e_0_1_1 &
76616 +c2*e_1_1_1&
76617 +4*e_2_1_1 &
76618 -2*e_1_0_1)
76619 e_1_1_2 = zetb*( c1*e_0_1_1 &
76620 +c3*e_1_1_1&
76621 +4*e_2_1_1 &
76622 -2*e_1_1_0)
76623 e_2_2_1 = zeta*( c1*e_1_1_1 &
76624 +c2*e_2_1_1&
76625
76626 )
76627 e_2_1_2 = zetb*( c1*e_1_1_1 &
76628 +c3*e_2_1_1&
76629
76630 )
76631 e_3_2_1 = zeta*( c1*e_2_1_1 &
76632
76633
76634 )
76635 e_3_1_2 = zetb*( c1*e_2_1_1 &
76636
76637
76638 )
76639 e_0_2_2 = zetb*( &
76640 +c3*e_0_2_1&
76641 +2*e_1_2_1 &
76642 -2*e_0_2_0)
76643 e_1_2_2 = zetb*( c1*e_0_2_1 &
76644 +c3*e_1_2_1&
76645 +4*e_2_2_1 &
76646 -2*e_1_2_0)
76647 e_2_2_2 = zetb*( c1*e_1_2_1 &
76648 +c3*e_2_2_1&
76649 +6*e_3_2_1 &
76650 -2*e_2_2_0)
76651 e_3_2_2 = zetb*( c1*e_2_2_1 &
76652 +c3*e_3_2_1&
76653
76654 )
76655 e_4_2_2 = zetb*( c1*e_3_2_1 &
76656
76657
76658 )
76659 e_0_1_2 = zeta*( &
76660 +c2*e_0_0_2&
76661 +2*e_1_0_2 &
76662 )
76663 e_1_1_2 = zeta*( c1*e_0_0_2 &
76664 +c2*e_1_0_2&
76665 +4*e_2_0_2 &
76666 )
76667 e_2_1_2 = zeta*( c1*e_1_0_2 &
76668 +c2*e_2_0_2&
76669
76670 )
76671 e_3_1_2 = zeta*( c1*e_2_0_2 &
76672
76673
76674 )
76675 e_0_2_2 = zeta*( &
76676 +c2*e_0_1_2&
76677 +2*e_1_1_2 &
76678 -2*e_0_0_2)
76679 e_1_2_2 = zeta*( c1*e_0_1_2 &
76680 +c2*e_1_1_2&
76681 +4*e_2_1_2 &
76682 -2*e_1_0_2)
76683 e_2_2_2 = zeta*( c1*e_1_1_2 &
76684 +c2*e_2_1_2&
76685 +6*e_3_1_2 &
76686 -2*e_2_0_2)
76687 e_3_2_2 = zeta*( c1*e_2_1_2 &
76688 +c2*e_3_1_2&
76689
76690 )
76691 e_4_2_2 = zeta*( c1*e_3_1_2 &
76692
76693
76694 )
76695
76696 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
76697 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
76698 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
76699 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
76700 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
76701 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76702 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
76703 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
76704 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
76705 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
76706 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76707 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
76708 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
76709 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76710 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76711 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
76712 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
76713 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76714 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
76715 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
76716 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76717 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76718 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
76719 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
76720 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76721 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76722 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76723 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
76724 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
76725 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
76726 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
76727 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
76728 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76729 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
76730 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
76731 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
76732 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
76733 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76734 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
76735 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
76736 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76737 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76738 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
76739 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
76740 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76741 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
76742 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
76743 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76744 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76745 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
76746 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
76747 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76748 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76749 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76750 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
76751 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
76752 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
76753 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76754 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
76755 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76756 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
76757 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
76758 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76759 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
76760 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76761 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76762 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76763 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76764 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76765 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76766 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
76767 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76768 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76769 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76770 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76771 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76772 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76773 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76774 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76775 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76776 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76777 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
76778 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
76779 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
76780 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76781 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
76782 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
76783 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
76784 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
76785 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76786 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
76787 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
76788 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76789 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76790 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
76791 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
76792 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76793 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
76794 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
76795 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76796 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76797 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
76798 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
76799 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76800 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76801 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76802 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
76803 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
76804 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
76805 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
76806 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
76807 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76808 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
76809 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
76810 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
76811 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
76812 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76813 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
76814 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
76815 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76816 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76817 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
76818 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
76819 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76820 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
76821 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
76822 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76823 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76824 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
76825 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
76826 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76827 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76828 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76829 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
76830 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
76831 r1 = r1 + dr
76832 END DO
76833
76834 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
76835 END SUBROUTINE
76836 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_0_exp_1 ( &
76837 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
76838 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
76839 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
76840 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
76841 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
76842 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
76843 r_pow_t, r_tmp, rr1_delta, rr2_delta
76844
76845 REAL(kind=dp) :: c1, c2, c3
76846 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
76847 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
76848 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
76849 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
76850 & h_to_c_4_5, h_to_c_5_5
76851 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
76852 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
76853 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
76854 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
76855
76856 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
76857
76858 dr = lgth
76859 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
76860
76861 s_r(:, :, :) = 0.0_dp
76862
76863 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
76864
76865 h_to_c_0_0 = sqrt(alpha/pi)
76866
76867 h_to_c_0_1 = 0.0_dp
76868 h_to_c_1_1 = +2*alpha*h_to_c_0_0
76869 h_to_c_0_2 = -1*h_to_c_1_1
76870 h_to_c_1_2 = +2*alpha*h_to_c_0_1
76871 h_to_c_2_2 = +2*alpha*h_to_c_1_1
76872 h_to_c_0_3 = -1*h_to_c_1_2
76873 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
76874 h_to_c_2_3 = +2*alpha*h_to_c_1_2
76875 h_to_c_3_3 = +2*alpha*h_to_c_2_2
76876 h_to_c_0_4 = -1*h_to_c_1_3
76877 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
76878 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
76879 h_to_c_3_4 = +2*alpha*h_to_c_2_3
76880 h_to_c_4_4 = +2*alpha*h_to_c_3_3
76881 h_to_c_0_5 = -1*h_to_c_1_4
76882 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
76883 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
76884 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
76885 h_to_c_4_5 = +2*alpha*h_to_c_3_4
76886 h_to_c_5_5 = +2*alpha*h_to_c_4_4
76887
76888 exp_drsq = exp(-alpha*dr*dr)
76889 exp_2drsq = exp_drsq*exp_drsq
76890
76891 rr1_delta = (ra - rb)/dr
76892
76893 rr1_l = ceiling(-r_c(1) + rr1_delta)
76894 rr1_r = floor(r_c(1) + rr1_delta)
76895
76896 r1 = rr1_l*dr
76897
76898 alpha_e = zeta*zetb/(zeta + zetb)
76899
76900 DO rr1 = rr1_l, rr1_r
76901 s_r_t_0 = 0.0_dp
76902 s_r_t2_0 = 0.0_dp
76903 s_r_t_1 = 0.0_dp
76904 s_r_t2_1 = 0.0_dp
76905 s_r_t_2 = 0.0_dp
76906 s_r_t2_2 = 0.0_dp
76907 s_r_t_3 = 0.0_dp
76908 s_r_t2_3 = 0.0_dp
76909 s_r_t_4 = 0.0_dp
76910 s_r_t2_4 = 0.0_dp
76911 s_r_t_5 = 0.0_dp
76912 s_r_t2_5 = 0.0_dp
76913 r_tmp = r_offset + r1*zeta/(zeta + zetb)
76914 rr2_delta = -r_tmp/dr
76915
76916 rr2_l = ceiling(-r_c(2) + rr2_delta)
76917 rr2_r = floor(r_c(2) + rr2_delta)
76918
76919 r = r_tmp + (rr2_l)*dr
76920
76921 exp2_2rdr = exp(-2*alpha*r*dr)
76922 exp2_rsq = exp(-alpha*r*r)
76923
76924 DO rr2 = rr2_l, rr2_r
76925 r_pow_t = 1.0_dp
76926 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
76927 r_pow_t = r_pow_t*r
76928 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
76929 r_pow_t = r_pow_t*r
76930 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
76931 r_pow_t = r_pow_t*r
76932 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
76933 r_pow_t = r_pow_t*r
76934 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
76935 r_pow_t = r_pow_t*r
76936 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
76937
76938 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
76939 exp2_2rdr = exp2_2rdr*exp_2drsq
76940 r = r + dr
76941 END DO
76942
76943 ! C --> H
76944 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76945 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76946 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76947 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76948 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76949 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76950 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76951 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76952 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76953 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76954 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76955 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76956 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76957 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76958 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76959 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76960 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76961 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76962 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76963 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76964 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76965
76966 ! H --> HH
76967 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76968
76969 c1 = 1.0_dp/(zeta + zetb)
76970 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76971 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76972
76973 e_0_1_0 = zeta*( &
76974 +c2*e_0_0_0&
76975
76976 )
76977 e_0_0_1 = zetb*( &
76978 +c3*e_0_0_0&
76979
76980 )
76981 e_1_1_0 = zeta*( c1*e_0_0_0 &
76982
76983
76984 )
76985 e_1_0_1 = zetb*( c1*e_0_0_0 &
76986
76987
76988 )
76989 e_0_2_0 = zeta*( &
76990 +c2*e_0_1_0&
76991 +2*e_1_1_0 &
76992 -2*e_0_0_0)
76993 e_0_1_1 = zetb*( &
76994 +c3*e_0_1_0&
76995 +2*e_1_1_0 &
76996 )
76997 e_1_2_0 = zeta*( c1*e_0_1_0 &
76998 +c2*e_1_1_0&
76999
77000 )
77001 e_1_1_1 = zetb*( c1*e_0_1_0 &
77002 +c3*e_1_1_0&
77003
77004 )
77005 e_2_2_0 = zeta*( c1*e_1_1_0 &
77006
77007
77008 )
77009 e_2_1_1 = zetb*( c1*e_1_1_0 &
77010
77011
77012 )
77013 e_0_2_1 = zetb*( &
77014 +c3*e_0_2_0&
77015 +2*e_1_2_0 &
77016 )
77017 e_1_2_1 = zetb*( c1*e_0_2_0 &
77018 +c3*e_1_2_0&
77019 +4*e_2_2_0 &
77020 )
77021 e_2_2_1 = zetb*( c1*e_1_2_0 &
77022 +c3*e_2_2_0&
77023
77024 )
77025 e_3_2_1 = zetb*( c1*e_2_2_0 &
77026
77027
77028 )
77029 e_0_1_1 = zeta*( &
77030 +c2*e_0_0_1&
77031 +2*e_1_0_1 &
77032 )
77033 e_0_0_2 = zetb*( &
77034 +c3*e_0_0_1&
77035 +2*e_1_0_1 &
77036 -2*e_0_0_0)
77037 e_1_1_1 = zeta*( c1*e_0_0_1 &
77038 +c2*e_1_0_1&
77039
77040 )
77041 e_1_0_2 = zetb*( c1*e_0_0_1 &
77042 +c3*e_1_0_1&
77043
77044 )
77045 e_2_1_1 = zeta*( c1*e_1_0_1 &
77046
77047
77048 )
77049 e_2_0_2 = zetb*( c1*e_1_0_1 &
77050
77051
77052 )
77053 e_0_2_1 = zeta*( &
77054 +c2*e_0_1_1&
77055 +2*e_1_1_1 &
77056 -2*e_0_0_1)
77057 e_0_1_2 = zetb*( &
77058 +c3*e_0_1_1&
77059 +2*e_1_1_1 &
77060 -2*e_0_1_0)
77061 e_1_2_1 = zeta*( c1*e_0_1_1 &
77062 +c2*e_1_1_1&
77063 +4*e_2_1_1 &
77064 -2*e_1_0_1)
77065 e_1_1_2 = zetb*( c1*e_0_1_1 &
77066 +c3*e_1_1_1&
77067 +4*e_2_1_1 &
77068 -2*e_1_1_0)
77069 e_2_2_1 = zeta*( c1*e_1_1_1 &
77070 +c2*e_2_1_1&
77071
77072 )
77073 e_2_1_2 = zetb*( c1*e_1_1_1 &
77074 +c3*e_2_1_1&
77075
77076 )
77077 e_3_2_1 = zeta*( c1*e_2_1_1 &
77078
77079
77080 )
77081 e_3_1_2 = zetb*( c1*e_2_1_1 &
77082
77083
77084 )
77085 e_0_2_2 = zetb*( &
77086 +c3*e_0_2_1&
77087 +2*e_1_2_1 &
77088 -2*e_0_2_0)
77089 e_1_2_2 = zetb*( c1*e_0_2_1 &
77090 +c3*e_1_2_1&
77091 +4*e_2_2_1 &
77092 -2*e_1_2_0)
77093 e_2_2_2 = zetb*( c1*e_1_2_1 &
77094 +c3*e_2_2_1&
77095 +6*e_3_2_1 &
77096 -2*e_2_2_0)
77097 e_3_2_2 = zetb*( c1*e_2_2_1 &
77098 +c3*e_3_2_1&
77099
77100 )
77101 e_4_2_2 = zetb*( c1*e_3_2_1 &
77102
77103
77104 )
77105 e_0_1_2 = zeta*( &
77106 +c2*e_0_0_2&
77107 +2*e_1_0_2 &
77108 )
77109 e_0_0_3 = zetb*( &
77110 +c3*e_0_0_2&
77111 +2*e_1_0_2 &
77112 -4*e_0_0_1)
77113 e_1_1_2 = zeta*( c1*e_0_0_2 &
77114 +c2*e_1_0_2&
77115 +4*e_2_0_2 &
77116 )
77117 e_1_0_3 = zetb*( c1*e_0_0_2 &
77118 +c3*e_1_0_2&
77119 +4*e_2_0_2 &
77120 -4*e_1_0_1)
77121 e_2_1_2 = zeta*( c1*e_1_0_2 &
77122 +c2*e_2_0_2&
77123
77124 )
77125 e_2_0_3 = zetb*( c1*e_1_0_2 &
77126 +c3*e_2_0_2&
77127
77128 )
77129 e_3_1_2 = zeta*( c1*e_2_0_2 &
77130
77131
77132 )
77133 e_3_0_3 = zetb*( c1*e_2_0_2 &
77134
77135
77136 )
77137 e_0_2_2 = zeta*( &
77138 +c2*e_0_1_2&
77139 +2*e_1_1_2 &
77140 -2*e_0_0_2)
77141 e_0_1_3 = zetb*( &
77142 +c3*e_0_1_2&
77143 +2*e_1_1_2 &
77144 -4*e_0_1_1)
77145 e_1_2_2 = zeta*( c1*e_0_1_2 &
77146 +c2*e_1_1_2&
77147 +4*e_2_1_2 &
77148 -2*e_1_0_2)
77149 e_1_1_3 = zetb*( c1*e_0_1_2 &
77150 +c3*e_1_1_2&
77151 +4*e_2_1_2 &
77152 -4*e_1_1_1)
77153 e_2_2_2 = zeta*( c1*e_1_1_2 &
77154 +c2*e_2_1_2&
77155 +6*e_3_1_2 &
77156 -2*e_2_0_2)
77157 e_2_1_3 = zetb*( c1*e_1_1_2 &
77158 +c3*e_2_1_2&
77159 +6*e_3_1_2 &
77160 -4*e_2_1_1)
77161 e_3_2_2 = zeta*( c1*e_2_1_2 &
77162 +c2*e_3_1_2&
77163
77164 )
77165 e_3_1_3 = zetb*( c1*e_2_1_2 &
77166 +c3*e_3_1_2&
77167
77168 )
77169 e_4_2_2 = zeta*( c1*e_3_1_2 &
77170
77171
77172 )
77173 e_4_1_3 = zetb*( c1*e_3_1_2 &
77174
77175
77176 )
77177 e_0_2_3 = zetb*( &
77178 +c3*e_0_2_2&
77179 +2*e_1_2_2 &
77180 -4*e_0_2_1)
77181 e_1_2_3 = zetb*( c1*e_0_2_2 &
77182 +c3*e_1_2_2&
77183 +4*e_2_2_2 &
77184 -4*e_1_2_1)
77185 e_2_2_3 = zetb*( c1*e_1_2_2 &
77186 +c3*e_2_2_2&
77187 +6*e_3_2_2 &
77188 -4*e_2_2_1)
77189 e_3_2_3 = zetb*( c1*e_2_2_2 &
77190 +c3*e_3_2_2&
77191 +8*e_4_2_2 &
77192 -4*e_3_2_1)
77193 e_4_2_3 = zetb*( c1*e_3_2_2 &
77194 +c3*e_4_2_2&
77195
77196 )
77197 e_5_2_3 = zetb*( c1*e_4_2_2 &
77198
77199
77200 )
77201 e_0_1_3 = zeta*( &
77202 +c2*e_0_0_3&
77203 +2*e_1_0_3 &
77204 )
77205 e_1_1_3 = zeta*( c1*e_0_0_3 &
77206 +c2*e_1_0_3&
77207 +4*e_2_0_3 &
77208 )
77209 e_2_1_3 = zeta*( c1*e_1_0_3 &
77210 +c2*e_2_0_3&
77211 +6*e_3_0_3 &
77212 )
77213 e_3_1_3 = zeta*( c1*e_2_0_3 &
77214 +c2*e_3_0_3&
77215
77216 )
77217 e_4_1_3 = zeta*( c1*e_3_0_3 &
77218
77219
77220 )
77221 e_0_2_3 = zeta*( &
77222 +c2*e_0_1_3&
77223 +2*e_1_1_3 &
77224 -2*e_0_0_3)
77225 e_1_2_3 = zeta*( c1*e_0_1_3 &
77226 +c2*e_1_1_3&
77227 +4*e_2_1_3 &
77228 -2*e_1_0_3)
77229 e_2_2_3 = zeta*( c1*e_1_1_3 &
77230 +c2*e_2_1_3&
77231 +6*e_3_1_3 &
77232 -2*e_2_0_3)
77233 e_3_2_3 = zeta*( c1*e_2_1_3 &
77234 +c2*e_3_1_3&
77235 +8*e_4_1_3 &
77236 -2*e_3_0_3)
77237 e_4_2_3 = zeta*( c1*e_3_1_3 &
77238 +c2*e_4_1_3&
77239
77240 )
77241 e_5_2_3 = zeta*( c1*e_4_1_3 &
77242
77243
77244 )
77245
77246 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
77247 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
77248 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
77249 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
77250 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
77251 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
77252 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
77253 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
77254 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
77255 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
77256 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
77257 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
77258 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
77259 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
77260 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
77261 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
77262 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
77263 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
77264 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
77265 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
77266 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
77267 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
77268 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
77269 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
77270 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
77271 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
77272 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
77273 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
77274 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
77275 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
77276 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
77277 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
77278 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
77279 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
77280 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
77281 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
77282 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
77283 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
77284 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
77285 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
77286 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
77287 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
77288 r1 = r1 + dr
77289 END DO
77290
77291 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
77292 END SUBROUTINE
77293 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_1_exp_1 ( &
77294 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
77295 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
77296 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
77297 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
77298 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
77299 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
77300 r_pow_t, r_tmp, rr1_delta, rr2_delta
77301
77302 REAL(kind=dp) :: c1, c2, c3
77303 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
77304 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
77305 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
77306 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
77307 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
77308 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
77309 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
77310 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
77311 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
77312
77313 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
77314
77315 dr = lgth
77316 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
77317
77318 s_r(:, :, :) = 0.0_dp
77319
77320 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
77321
77322 h_to_c_0_0 = sqrt(alpha/pi)
77323
77324 h_to_c_0_1 = 0.0_dp
77325 h_to_c_1_1 = +2*alpha*h_to_c_0_0
77326 h_to_c_0_2 = -1*h_to_c_1_1
77327 h_to_c_1_2 = +2*alpha*h_to_c_0_1
77328 h_to_c_2_2 = +2*alpha*h_to_c_1_1
77329 h_to_c_0_3 = -1*h_to_c_1_2
77330 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
77331 h_to_c_2_3 = +2*alpha*h_to_c_1_2
77332 h_to_c_3_3 = +2*alpha*h_to_c_2_2
77333 h_to_c_0_4 = -1*h_to_c_1_3
77334 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
77335 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
77336 h_to_c_3_4 = +2*alpha*h_to_c_2_3
77337 h_to_c_4_4 = +2*alpha*h_to_c_3_3
77338 h_to_c_0_5 = -1*h_to_c_1_4
77339 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
77340 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
77341 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
77342 h_to_c_4_5 = +2*alpha*h_to_c_3_4
77343 h_to_c_5_5 = +2*alpha*h_to_c_4_4
77344 h_to_c_0_6 = -1*h_to_c_1_5
77345 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
77346 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
77347 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
77348 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
77349 h_to_c_5_6 = +2*alpha*h_to_c_4_5
77350 h_to_c_6_6 = +2*alpha*h_to_c_5_5
77351
77352 exp_drsq = exp(-alpha*dr*dr)
77353 exp_2drsq = exp_drsq*exp_drsq
77354
77355 rr1_delta = (ra - rb)/dr
77356
77357 rr1_l = ceiling(-r_c(1) + rr1_delta)
77358 rr1_r = floor(r_c(1) + rr1_delta)
77359
77360 r1 = rr1_l*dr
77361
77362 alpha_e = zeta*zetb/(zeta + zetb)
77363
77364 DO rr1 = rr1_l, rr1_r
77365 s_r_t_0 = 0.0_dp
77366 s_r_t2_0 = 0.0_dp
77367 s_r_t_1 = 0.0_dp
77368 s_r_t2_1 = 0.0_dp
77369 s_r_t_2 = 0.0_dp
77370 s_r_t2_2 = 0.0_dp
77371 s_r_t_3 = 0.0_dp
77372 s_r_t2_3 = 0.0_dp
77373 s_r_t_4 = 0.0_dp
77374 s_r_t2_4 = 0.0_dp
77375 s_r_t_5 = 0.0_dp
77376 s_r_t2_5 = 0.0_dp
77377 s_r_t_6 = 0.0_dp
77378 s_r_t2_6 = 0.0_dp
77379 r_tmp = r_offset + r1*zeta/(zeta + zetb)
77380 rr2_delta = -r_tmp/dr
77381
77382 rr2_l = ceiling(-r_c(2) + rr2_delta)
77383 rr2_r = floor(r_c(2) + rr2_delta)
77384
77385 r = r_tmp + (rr2_l)*dr
77386
77387 exp2_2rdr = exp(-2*alpha*r*dr)
77388 exp2_rsq = exp(-alpha*r*r)
77389
77390 DO rr2 = rr2_l, rr2_r
77391 r_pow_t = 1.0_dp
77392 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
77393 r_pow_t = r_pow_t*r
77394 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
77395 r_pow_t = r_pow_t*r
77396 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
77397 r_pow_t = r_pow_t*r
77398 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
77399 r_pow_t = r_pow_t*r
77400 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
77401 r_pow_t = r_pow_t*r
77402 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
77403 r_pow_t = r_pow_t*r
77404 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
77405
77406 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
77407 exp2_2rdr = exp2_2rdr*exp_2drsq
77408 r = r + dr
77409 END DO
77410
77411 ! C --> H
77412 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
77413 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
77414 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
77415 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
77416 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
77417 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
77418 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
77419 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
77420 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
77421 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
77422 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
77423 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
77424 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
77425 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
77426 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
77427 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
77428 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
77429 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
77430 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
77431 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
77432 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
77433 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
77434 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
77435 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
77436 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
77437 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
77438 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
77439 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
77440
77441 ! H --> HH
77442 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
77443
77444 c1 = 1.0_dp/(zeta + zetb)
77445 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
77446 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
77447
77448 e_0_1_0 = zeta*( &
77449 +c2*e_0_0_0&
77450
77451 )
77452 e_0_0_1 = zetb*( &
77453 +c3*e_0_0_0&
77454
77455 )
77456 e_1_1_0 = zeta*( c1*e_0_0_0 &
77457
77458
77459 )
77460 e_1_0_1 = zetb*( c1*e_0_0_0 &
77461
77462
77463 )
77464 e_0_2_0 = zeta*( &
77465 +c2*e_0_1_0&
77466 +2*e_1_1_0 &
77467 -2*e_0_0_0)
77468 e_0_1_1 = zetb*( &
77469 +c3*e_0_1_0&
77470 +2*e_1_1_0 &
77471 )
77472 e_1_2_0 = zeta*( c1*e_0_1_0 &
77473 +c2*e_1_1_0&
77474
77475 )
77476 e_1_1_1 = zetb*( c1*e_0_1_0 &
77477 +c3*e_1_1_0&
77478
77479 )
77480 e_2_2_0 = zeta*( c1*e_1_1_0 &
77481
77482
77483 )
77484 e_2_1_1 = zetb*( c1*e_1_1_0 &
77485
77486
77487 )
77488 e_0_2_1 = zetb*( &
77489 +c3*e_0_2_0&
77490 +2*e_1_2_0 &
77491 )
77492 e_1_2_1 = zetb*( c1*e_0_2_0 &
77493 +c3*e_1_2_0&
77494 +4*e_2_2_0 &
77495 )
77496 e_2_2_1 = zetb*( c1*e_1_2_0 &
77497 +c3*e_2_2_0&
77498
77499 )
77500 e_3_2_1 = zetb*( c1*e_2_2_0 &
77501
77502
77503 )
77504 e_0_1_1 = zeta*( &
77505 +c2*e_0_0_1&
77506 +2*e_1_0_1 &
77507 )
77508 e_0_0_2 = zetb*( &
77509 +c3*e_0_0_1&
77510 +2*e_1_0_1 &
77511 -2*e_0_0_0)
77512 e_1_1_1 = zeta*( c1*e_0_0_1 &
77513 +c2*e_1_0_1&
77514
77515 )
77516 e_1_0_2 = zetb*( c1*e_0_0_1 &
77517 +c3*e_1_0_1&
77518
77519 )
77520 e_2_1_1 = zeta*( c1*e_1_0_1 &
77521
77522
77523 )
77524 e_2_0_2 = zetb*( c1*e_1_0_1 &
77525
77526
77527 )
77528 e_0_2_1 = zeta*( &
77529 +c2*e_0_1_1&
77530 +2*e_1_1_1 &
77531 -2*e_0_0_1)
77532 e_0_1_2 = zetb*( &
77533 +c3*e_0_1_1&
77534 +2*e_1_1_1 &
77535 -2*e_0_1_0)
77536 e_1_2_1 = zeta*( c1*e_0_1_1 &
77537 +c2*e_1_1_1&
77538 +4*e_2_1_1 &
77539 -2*e_1_0_1)
77540 e_1_1_2 = zetb*( c1*e_0_1_1 &
77541 +c3*e_1_1_1&
77542 +4*e_2_1_1 &
77543 -2*e_1_1_0)
77544 e_2_2_1 = zeta*( c1*e_1_1_1 &
77545 +c2*e_2_1_1&
77546
77547 )
77548 e_2_1_2 = zetb*( c1*e_1_1_1 &
77549 +c3*e_2_1_1&
77550
77551 )
77552 e_3_2_1 = zeta*( c1*e_2_1_1 &
77553
77554
77555 )
77556 e_3_1_2 = zetb*( c1*e_2_1_1 &
77557
77558
77559 )
77560 e_0_2_2 = zetb*( &
77561 +c3*e_0_2_1&
77562 +2*e_1_2_1 &
77563 -2*e_0_2_0)
77564 e_1_2_2 = zetb*( c1*e_0_2_1 &
77565 +c3*e_1_2_1&
77566 +4*e_2_2_1 &
77567 -2*e_1_2_0)
77568 e_2_2_2 = zetb*( c1*e_1_2_1 &
77569 +c3*e_2_2_1&
77570 +6*e_3_2_1 &
77571 -2*e_2_2_0)
77572 e_3_2_2 = zetb*( c1*e_2_2_1 &
77573 +c3*e_3_2_1&
77574
77575 )
77576 e_4_2_2 = zetb*( c1*e_3_2_1 &
77577
77578
77579 )
77580 e_0_1_2 = zeta*( &
77581 +c2*e_0_0_2&
77582 +2*e_1_0_2 &
77583 )
77584 e_0_0_3 = zetb*( &
77585 +c3*e_0_0_2&
77586 +2*e_1_0_2 &
77587 -4*e_0_0_1)
77588 e_1_1_2 = zeta*( c1*e_0_0_2 &
77589 +c2*e_1_0_2&
77590 +4*e_2_0_2 &
77591 )
77592 e_1_0_3 = zetb*( c1*e_0_0_2 &
77593 +c3*e_1_0_2&
77594 +4*e_2_0_2 &
77595 -4*e_1_0_1)
77596 e_2_1_2 = zeta*( c1*e_1_0_2 &
77597 +c2*e_2_0_2&
77598
77599 )
77600 e_2_0_3 = zetb*( c1*e_1_0_2 &
77601 +c3*e_2_0_2&
77602
77603 )
77604 e_3_1_2 = zeta*( c1*e_2_0_2 &
77605
77606
77607 )
77608 e_3_0_3 = zetb*( c1*e_2_0_2 &
77609
77610
77611 )
77612 e_0_2_2 = zeta*( &
77613 +c2*e_0_1_2&
77614 +2*e_1_1_2 &
77615 -2*e_0_0_2)
77616 e_0_1_3 = zetb*( &
77617 +c3*e_0_1_2&
77618 +2*e_1_1_2 &
77619 -4*e_0_1_1)
77620 e_1_2_2 = zeta*( c1*e_0_1_2 &
77621 +c2*e_1_1_2&
77622 +4*e_2_1_2 &
77623 -2*e_1_0_2)
77624 e_1_1_3 = zetb*( c1*e_0_1_2 &
77625 +c3*e_1_1_2&
77626 +4*e_2_1_2 &
77627 -4*e_1_1_1)
77628 e_2_2_2 = zeta*( c1*e_1_1_2 &
77629 +c2*e_2_1_2&
77630 +6*e_3_1_2 &
77631 -2*e_2_0_2)
77632 e_2_1_3 = zetb*( c1*e_1_1_2 &
77633 +c3*e_2_1_2&
77634 +6*e_3_1_2 &
77635 -4*e_2_1_1)
77636 e_3_2_2 = zeta*( c1*e_2_1_2 &
77637 +c2*e_3_1_2&
77638
77639 )
77640 e_3_1_3 = zetb*( c1*e_2_1_2 &
77641 +c3*e_3_1_2&
77642
77643 )
77644 e_4_2_2 = zeta*( c1*e_3_1_2 &
77645
77646
77647 )
77648 e_4_1_3 = zetb*( c1*e_3_1_2 &
77649
77650
77651 )
77652 e_0_2_3 = zetb*( &
77653 +c3*e_0_2_2&
77654 +2*e_1_2_2 &
77655 -4*e_0_2_1)
77656 e_1_2_3 = zetb*( c1*e_0_2_2 &
77657 +c3*e_1_2_2&
77658 +4*e_2_2_2 &
77659 -4*e_1_2_1)
77660 e_2_2_3 = zetb*( c1*e_1_2_2 &
77661 +c3*e_2_2_2&
77662 +6*e_3_2_2 &
77663 -4*e_2_2_1)
77664 e_3_2_3 = zetb*( c1*e_2_2_2 &
77665 +c3*e_3_2_2&
77666 +8*e_4_2_2 &
77667 -4*e_3_2_1)
77668 e_4_2_3 = zetb*( c1*e_3_2_2 &
77669 +c3*e_4_2_2&
77670
77671 )
77672 e_5_2_3 = zetb*( c1*e_4_2_2 &
77673
77674
77675 )
77676 e_0_1_3 = zeta*( &
77677 +c2*e_0_0_3&
77678 +2*e_1_0_3 &
77679 )
77680 e_1_1_3 = zeta*( c1*e_0_0_3 &
77681 +c2*e_1_0_3&
77682 +4*e_2_0_3 &
77683 )
77684 e_2_1_3 = zeta*( c1*e_1_0_3 &
77685 +c2*e_2_0_3&
77686 +6*e_3_0_3 &
77687 )
77688 e_3_1_3 = zeta*( c1*e_2_0_3 &
77689 +c2*e_3_0_3&
77690
77691 )
77692 e_4_1_3 = zeta*( c1*e_3_0_3 &
77693
77694
77695 )
77696 e_0_2_3 = zeta*( &
77697 +c2*e_0_1_3&
77698 +2*e_1_1_3 &
77699 -2*e_0_0_3)
77700 e_1_2_3 = zeta*( c1*e_0_1_3 &
77701 +c2*e_1_1_3&
77702 +4*e_2_1_3 &
77703 -2*e_1_0_3)
77704 e_2_2_3 = zeta*( c1*e_1_1_3 &
77705 +c2*e_2_1_3&
77706 +6*e_3_1_3 &
77707 -2*e_2_0_3)
77708 e_3_2_3 = zeta*( c1*e_2_1_3 &
77709 +c2*e_3_1_3&
77710 +8*e_4_1_3 &
77711 -2*e_3_0_3)
77712 e_4_2_3 = zeta*( c1*e_3_1_3 &
77713 +c2*e_4_1_3&
77714
77715 )
77716 e_5_2_3 = zeta*( c1*e_4_1_3 &
77717
77718
77719 )
77720
77721 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
77722 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
77723 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
77724 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
77725 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
77726 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
77727 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
77728 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
77729 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
77730 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
77731 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
77732 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
77733 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
77734 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
77735 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
77736 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
77737 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
77738 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
77739 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
77740 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
77741 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
77742 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
77743 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
77744 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
77745 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
77746 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
77747 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
77748 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
77749 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
77750 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
77751 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
77752 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
77753 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
77754 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
77755 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
77756 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
77757 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
77758 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
77759 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
77760 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
77761 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
77762 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
77763 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
77764 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
77765 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
77766 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
77767 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
77768 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
77769 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
77770 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
77771 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
77772 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
77773 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
77774 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
77775 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
77776 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
77777 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
77778 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
77779 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
77780 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
77781 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
77782 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
77783 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
77784 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
77785 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
77786 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
77787 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
77788 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
77789 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
77790 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
77791 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
77792 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
77793 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
77794 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
77795 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
77796 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
77797 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
77798 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
77799 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
77800 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
77801 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
77802 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
77803 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
77804 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
77805 r1 = r1 + dr
77806 END DO
77807
77808 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
77809 END SUBROUTINE
77810 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_2_exp_1 ( &
77811 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
77812 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
77813 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
77814 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
77815 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
77816 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
77817 r_pow_t, r_tmp, rr1_delta, rr2_delta
77818
77819 REAL(kind=dp) :: c1, c2, c3
77820 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
77821 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
77822 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
77823 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
77824 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
77825 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
77826 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
77827 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
77828 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
77829 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
77830
77831 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
77832
77833 dr = lgth
77834 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
77835
77836 s_r(:, :, :) = 0.0_dp
77837
77838 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
77839
77840 h_to_c_0_0 = sqrt(alpha/pi)
77841
77842 h_to_c_0_1 = 0.0_dp
77843 h_to_c_1_1 = +2*alpha*h_to_c_0_0
77844 h_to_c_0_2 = -1*h_to_c_1_1
77845 h_to_c_1_2 = +2*alpha*h_to_c_0_1
77846 h_to_c_2_2 = +2*alpha*h_to_c_1_1
77847 h_to_c_0_3 = -1*h_to_c_1_2
77848 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
77849 h_to_c_2_3 = +2*alpha*h_to_c_1_2
77850 h_to_c_3_3 = +2*alpha*h_to_c_2_2
77851 h_to_c_0_4 = -1*h_to_c_1_3
77852 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
77853 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
77854 h_to_c_3_4 = +2*alpha*h_to_c_2_3
77855 h_to_c_4_4 = +2*alpha*h_to_c_3_3
77856 h_to_c_0_5 = -1*h_to_c_1_4
77857 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
77858 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
77859 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
77860 h_to_c_4_5 = +2*alpha*h_to_c_3_4
77861 h_to_c_5_5 = +2*alpha*h_to_c_4_4
77862 h_to_c_0_6 = -1*h_to_c_1_5
77863 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
77864 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
77865 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
77866 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
77867 h_to_c_5_6 = +2*alpha*h_to_c_4_5
77868 h_to_c_6_6 = +2*alpha*h_to_c_5_5
77869 h_to_c_0_7 = -1*h_to_c_1_6
77870 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
77871 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
77872 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
77873 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
77874 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
77875 h_to_c_6_7 = +2*alpha*h_to_c_5_6
77876 h_to_c_7_7 = +2*alpha*h_to_c_6_6
77877
77878 exp_drsq = exp(-alpha*dr*dr)
77879 exp_2drsq = exp_drsq*exp_drsq
77880
77881 rr1_delta = (ra - rb)/dr
77882
77883 rr1_l = ceiling(-r_c(1) + rr1_delta)
77884 rr1_r = floor(r_c(1) + rr1_delta)
77885
77886 r1 = rr1_l*dr
77887
77888 alpha_e = zeta*zetb/(zeta + zetb)
77889
77890 DO rr1 = rr1_l, rr1_r
77891 s_r_t_0 = 0.0_dp
77892 s_r_t2_0 = 0.0_dp
77893 s_r_t_1 = 0.0_dp
77894 s_r_t2_1 = 0.0_dp
77895 s_r_t_2 = 0.0_dp
77896 s_r_t2_2 = 0.0_dp
77897 s_r_t_3 = 0.0_dp
77898 s_r_t2_3 = 0.0_dp
77899 s_r_t_4 = 0.0_dp
77900 s_r_t2_4 = 0.0_dp
77901 s_r_t_5 = 0.0_dp
77902 s_r_t2_5 = 0.0_dp
77903 s_r_t_6 = 0.0_dp
77904 s_r_t2_6 = 0.0_dp
77905 s_r_t_7 = 0.0_dp
77906 s_r_t2_7 = 0.0_dp
77907 r_tmp = r_offset + r1*zeta/(zeta + zetb)
77908 rr2_delta = -r_tmp/dr
77909
77910 rr2_l = ceiling(-r_c(2) + rr2_delta)
77911 rr2_r = floor(r_c(2) + rr2_delta)
77912
77913 r = r_tmp + (rr2_l)*dr
77914
77915 exp2_2rdr = exp(-2*alpha*r*dr)
77916 exp2_rsq = exp(-alpha*r*r)
77917
77918 DO rr2 = rr2_l, rr2_r
77919 r_pow_t = 1.0_dp
77920 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
77921 r_pow_t = r_pow_t*r
77922 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
77923 r_pow_t = r_pow_t*r
77924 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
77925 r_pow_t = r_pow_t*r
77926 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
77927 r_pow_t = r_pow_t*r
77928 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
77929 r_pow_t = r_pow_t*r
77930 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
77931 r_pow_t = r_pow_t*r
77932 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
77933 r_pow_t = r_pow_t*r
77934 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
77935
77936 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
77937 exp2_2rdr = exp2_2rdr*exp_2drsq
77938 r = r + dr
77939 END DO
77940
77941 ! C --> H
77942 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
77943 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
77944 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
77945 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
77946 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
77947 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
77948 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
77949 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
77950 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
77951 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
77952 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
77953 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
77954 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
77955 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
77956 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
77957 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
77958 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
77959 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
77960 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
77961 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
77962 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
77963 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
77964 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
77965 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
77966 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
77967 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
77968 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
77969 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
77970 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
77971 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
77972 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
77973 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
77974 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
77975 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
77976 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
77977 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
77978
77979 ! H --> HH
77980 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
77981
77982 c1 = 1.0_dp/(zeta + zetb)
77983 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
77984 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
77985
77986 e_0_1_0 = zeta*( &
77987 +c2*e_0_0_0&
77988
77989 )
77990 e_0_0_1 = zetb*( &
77991 +c3*e_0_0_0&
77992
77993 )
77994 e_1_1_0 = zeta*( c1*e_0_0_0 &
77995
77996
77997 )
77998 e_1_0_1 = zetb*( c1*e_0_0_0 &
77999
78000
78001 )
78002 e_0_2_0 = zeta*( &
78003 +c2*e_0_1_0&
78004 +2*e_1_1_0 &
78005 -2*e_0_0_0)
78006 e_0_1_1 = zetb*( &
78007 +c3*e_0_1_0&
78008 +2*e_1_1_0 &
78009 )
78010 e_1_2_0 = zeta*( c1*e_0_1_0 &
78011 +c2*e_1_1_0&
78012
78013 )
78014 e_1_1_1 = zetb*( c1*e_0_1_0 &
78015 +c3*e_1_1_0&
78016
78017 )
78018 e_2_2_0 = zeta*( c1*e_1_1_0 &
78019
78020
78021 )
78022 e_2_1_1 = zetb*( c1*e_1_1_0 &
78023
78024
78025 )
78026 e_0_2_1 = zetb*( &
78027 +c3*e_0_2_0&
78028 +2*e_1_2_0 &
78029 )
78030 e_1_2_1 = zetb*( c1*e_0_2_0 &
78031 +c3*e_1_2_0&
78032 +4*e_2_2_0 &
78033 )
78034 e_2_2_1 = zetb*( c1*e_1_2_0 &
78035 +c3*e_2_2_0&
78036
78037 )
78038 e_3_2_1 = zetb*( c1*e_2_2_0 &
78039
78040
78041 )
78042 e_0_1_1 = zeta*( &
78043 +c2*e_0_0_1&
78044 +2*e_1_0_1 &
78045 )
78046 e_0_0_2 = zetb*( &
78047 +c3*e_0_0_1&
78048 +2*e_1_0_1 &
78049 -2*e_0_0_0)
78050 e_1_1_1 = zeta*( c1*e_0_0_1 &
78051 +c2*e_1_0_1&
78052
78053 )
78054 e_1_0_2 = zetb*( c1*e_0_0_1 &
78055 +c3*e_1_0_1&
78056
78057 )
78058 e_2_1_1 = zeta*( c1*e_1_0_1 &
78059
78060
78061 )
78062 e_2_0_2 = zetb*( c1*e_1_0_1 &
78063
78064
78065 )
78066 e_0_2_1 = zeta*( &
78067 +c2*e_0_1_1&
78068 +2*e_1_1_1 &
78069 -2*e_0_0_1)
78070 e_0_1_2 = zetb*( &
78071 +c3*e_0_1_1&
78072 +2*e_1_1_1 &
78073 -2*e_0_1_0)
78074 e_1_2_1 = zeta*( c1*e_0_1_1 &
78075 +c2*e_1_1_1&
78076 +4*e_2_1_1 &
78077 -2*e_1_0_1)
78078 e_1_1_2 = zetb*( c1*e_0_1_1 &
78079 +c3*e_1_1_1&
78080 +4*e_2_1_1 &
78081 -2*e_1_1_0)
78082 e_2_2_1 = zeta*( c1*e_1_1_1 &
78083 +c2*e_2_1_1&
78084
78085 )
78086 e_2_1_2 = zetb*( c1*e_1_1_1 &
78087 +c3*e_2_1_1&
78088
78089 )
78090 e_3_2_1 = zeta*( c1*e_2_1_1 &
78091
78092
78093 )
78094 e_3_1_2 = zetb*( c1*e_2_1_1 &
78095
78096
78097 )
78098 e_0_2_2 = zetb*( &
78099 +c3*e_0_2_1&
78100 +2*e_1_2_1 &
78101 -2*e_0_2_0)
78102 e_1_2_2 = zetb*( c1*e_0_2_1 &
78103 +c3*e_1_2_1&
78104 +4*e_2_2_1 &
78105 -2*e_1_2_0)
78106 e_2_2_2 = zetb*( c1*e_1_2_1 &
78107 +c3*e_2_2_1&
78108 +6*e_3_2_1 &
78109 -2*e_2_2_0)
78110 e_3_2_2 = zetb*( c1*e_2_2_1 &
78111 +c3*e_3_2_1&
78112
78113 )
78114 e_4_2_2 = zetb*( c1*e_3_2_1 &
78115
78116
78117 )
78118 e_0_1_2 = zeta*( &
78119 +c2*e_0_0_2&
78120 +2*e_1_0_2 &
78121 )
78122 e_0_0_3 = zetb*( &
78123 +c3*e_0_0_2&
78124 +2*e_1_0_2 &
78125 -4*e_0_0_1)
78126 e_1_1_2 = zeta*( c1*e_0_0_2 &
78127 +c2*e_1_0_2&
78128 +4*e_2_0_2 &
78129 )
78130 e_1_0_3 = zetb*( c1*e_0_0_2 &
78131 +c3*e_1_0_2&
78132 +4*e_2_0_2 &
78133 -4*e_1_0_1)
78134 e_2_1_2 = zeta*( c1*e_1_0_2 &
78135 +c2*e_2_0_2&
78136
78137 )
78138 e_2_0_3 = zetb*( c1*e_1_0_2 &
78139 +c3*e_2_0_2&
78140
78141 )
78142 e_3_1_2 = zeta*( c1*e_2_0_2 &
78143
78144
78145 )
78146 e_3_0_3 = zetb*( c1*e_2_0_2 &
78147
78148
78149 )
78150 e_0_2_2 = zeta*( &
78151 +c2*e_0_1_2&
78152 +2*e_1_1_2 &
78153 -2*e_0_0_2)
78154 e_0_1_3 = zetb*( &
78155 +c3*e_0_1_2&
78156 +2*e_1_1_2 &
78157 -4*e_0_1_1)
78158 e_1_2_2 = zeta*( c1*e_0_1_2 &
78159 +c2*e_1_1_2&
78160 +4*e_2_1_2 &
78161 -2*e_1_0_2)
78162 e_1_1_3 = zetb*( c1*e_0_1_2 &
78163 +c3*e_1_1_2&
78164 +4*e_2_1_2 &
78165 -4*e_1_1_1)
78166 e_2_2_2 = zeta*( c1*e_1_1_2 &
78167 +c2*e_2_1_2&
78168 +6*e_3_1_2 &
78169 -2*e_2_0_2)
78170 e_2_1_3 = zetb*( c1*e_1_1_2 &
78171 +c3*e_2_1_2&
78172 +6*e_3_1_2 &
78173 -4*e_2_1_1)
78174 e_3_2_2 = zeta*( c1*e_2_1_2 &
78175 +c2*e_3_1_2&
78176
78177 )
78178 e_3_1_3 = zetb*( c1*e_2_1_2 &
78179 +c3*e_3_1_2&
78180
78181 )
78182 e_4_2_2 = zeta*( c1*e_3_1_2 &
78183
78184
78185 )
78186 e_4_1_3 = zetb*( c1*e_3_1_2 &
78187
78188
78189 )
78190 e_0_2_3 = zetb*( &
78191 +c3*e_0_2_2&
78192 +2*e_1_2_2 &
78193 -4*e_0_2_1)
78194 e_1_2_3 = zetb*( c1*e_0_2_2 &
78195 +c3*e_1_2_2&
78196 +4*e_2_2_2 &
78197 -4*e_1_2_1)
78198 e_2_2_3 = zetb*( c1*e_1_2_2 &
78199 +c3*e_2_2_2&
78200 +6*e_3_2_2 &
78201 -4*e_2_2_1)
78202 e_3_2_3 = zetb*( c1*e_2_2_2 &
78203 +c3*e_3_2_2&
78204 +8*e_4_2_2 &
78205 -4*e_3_2_1)
78206 e_4_2_3 = zetb*( c1*e_3_2_2 &
78207 +c3*e_4_2_2&
78208
78209 )
78210 e_5_2_3 = zetb*( c1*e_4_2_2 &
78211
78212
78213 )
78214 e_0_1_3 = zeta*( &
78215 +c2*e_0_0_3&
78216 +2*e_1_0_3 &
78217 )
78218 e_1_1_3 = zeta*( c1*e_0_0_3 &
78219 +c2*e_1_0_3&
78220 +4*e_2_0_3 &
78221 )
78222 e_2_1_3 = zeta*( c1*e_1_0_3 &
78223 +c2*e_2_0_3&
78224 +6*e_3_0_3 &
78225 )
78226 e_3_1_3 = zeta*( c1*e_2_0_3 &
78227 +c2*e_3_0_3&
78228
78229 )
78230 e_4_1_3 = zeta*( c1*e_3_0_3 &
78231
78232
78233 )
78234 e_0_2_3 = zeta*( &
78235 +c2*e_0_1_3&
78236 +2*e_1_1_3 &
78237 -2*e_0_0_3)
78238 e_1_2_3 = zeta*( c1*e_0_1_3 &
78239 +c2*e_1_1_3&
78240 +4*e_2_1_3 &
78241 -2*e_1_0_3)
78242 e_2_2_3 = zeta*( c1*e_1_1_3 &
78243 +c2*e_2_1_3&
78244 +6*e_3_1_3 &
78245 -2*e_2_0_3)
78246 e_3_2_3 = zeta*( c1*e_2_1_3 &
78247 +c2*e_3_1_3&
78248 +8*e_4_1_3 &
78249 -2*e_3_0_3)
78250 e_4_2_3 = zeta*( c1*e_3_1_3 &
78251 +c2*e_4_1_3&
78252
78253 )
78254 e_5_2_3 = zeta*( c1*e_4_1_3 &
78255
78256
78257 )
78258
78259 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
78260 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
78261 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
78262 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
78263 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
78264 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78265 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
78266 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
78267 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
78268 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
78269 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78270 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
78271 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
78272 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78273 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78274 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
78275 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
78276 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78277 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
78278 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
78279 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78280 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78281 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
78282 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
78283 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78284 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78285 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78286 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
78287 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
78288 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78289 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78290 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
78291 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
78292 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78293 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78294 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78295 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
78296 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
78297 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78298 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78299 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78300 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78301 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
78302 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
78303 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
78304 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
78305 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
78306 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78307 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
78308 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
78309 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
78310 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
78311 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78312 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
78313 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
78314 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
78315 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
78316 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
78317 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
78318 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
78319 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
78320 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
78321 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
78322 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
78323 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
78324 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
78325 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
78326 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
78327 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
78328 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
78329 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
78330 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
78331 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
78332 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
78333 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
78334 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
78335 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
78336 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
78337 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
78338 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
78339 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
78340 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
78341 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
78342 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
78343 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
78344 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
78345 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
78346 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78347 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
78348 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
78349 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
78350 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
78351 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78352 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
78353 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
78354 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78355 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78356 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
78357 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
78358 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78359 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
78360 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
78361 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78362 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78363 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
78364 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
78365 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78366 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78367 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78368 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
78369 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
78370 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78371 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78372 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
78373 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
78374 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78375 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78376 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78377 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
78378 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
78379 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78380 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78381 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78382 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78383 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
78384 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
78385 r1 = r1 + dr
78386 END DO
78387
78388 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
78389 END SUBROUTINE
78390 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_3_exp_1 ( &
78391 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
78392 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
78393 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
78394 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
78395 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
78396 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
78397 r_pow_t, r_tmp, rr1_delta, rr2_delta
78398
78399 REAL(kind=dp) :: c1, c2, c3
78400 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
78401 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
78402 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
78403 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
78404 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
78405 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
78406 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
78407 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
78408 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
78409 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
78410 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
78411
78412 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
78413
78414 dr = lgth
78415 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
78416
78417 s_r(:, :, :) = 0.0_dp
78418
78419 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
78420
78421 h_to_c_0_0 = sqrt(alpha/pi)
78422
78423 h_to_c_0_1 = 0.0_dp
78424 h_to_c_1_1 = +2*alpha*h_to_c_0_0
78425 h_to_c_0_2 = -1*h_to_c_1_1
78426 h_to_c_1_2 = +2*alpha*h_to_c_0_1
78427 h_to_c_2_2 = +2*alpha*h_to_c_1_1
78428 h_to_c_0_3 = -1*h_to_c_1_2
78429 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
78430 h_to_c_2_3 = +2*alpha*h_to_c_1_2
78431 h_to_c_3_3 = +2*alpha*h_to_c_2_2
78432 h_to_c_0_4 = -1*h_to_c_1_3
78433 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
78434 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
78435 h_to_c_3_4 = +2*alpha*h_to_c_2_3
78436 h_to_c_4_4 = +2*alpha*h_to_c_3_3
78437 h_to_c_0_5 = -1*h_to_c_1_4
78438 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
78439 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
78440 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
78441 h_to_c_4_5 = +2*alpha*h_to_c_3_4
78442 h_to_c_5_5 = +2*alpha*h_to_c_4_4
78443 h_to_c_0_6 = -1*h_to_c_1_5
78444 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
78445 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
78446 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
78447 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
78448 h_to_c_5_6 = +2*alpha*h_to_c_4_5
78449 h_to_c_6_6 = +2*alpha*h_to_c_5_5
78450 h_to_c_0_7 = -1*h_to_c_1_6
78451 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
78452 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
78453 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
78454 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
78455 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
78456 h_to_c_6_7 = +2*alpha*h_to_c_5_6
78457 h_to_c_7_7 = +2*alpha*h_to_c_6_6
78458 h_to_c_0_8 = -1*h_to_c_1_7
78459 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
78460 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
78461 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
78462 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
78463 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
78464 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
78465 h_to_c_7_8 = +2*alpha*h_to_c_6_7
78466 h_to_c_8_8 = +2*alpha*h_to_c_7_7
78467
78468 exp_drsq = exp(-alpha*dr*dr)
78469 exp_2drsq = exp_drsq*exp_drsq
78470
78471 rr1_delta = (ra - rb)/dr
78472
78473 rr1_l = ceiling(-r_c(1) + rr1_delta)
78474 rr1_r = floor(r_c(1) + rr1_delta)
78475
78476 r1 = rr1_l*dr
78477
78478 alpha_e = zeta*zetb/(zeta + zetb)
78479
78480 DO rr1 = rr1_l, rr1_r
78481 s_r_t_0 = 0.0_dp
78482 s_r_t2_0 = 0.0_dp
78483 s_r_t_1 = 0.0_dp
78484 s_r_t2_1 = 0.0_dp
78485 s_r_t_2 = 0.0_dp
78486 s_r_t2_2 = 0.0_dp
78487 s_r_t_3 = 0.0_dp
78488 s_r_t2_3 = 0.0_dp
78489 s_r_t_4 = 0.0_dp
78490 s_r_t2_4 = 0.0_dp
78491 s_r_t_5 = 0.0_dp
78492 s_r_t2_5 = 0.0_dp
78493 s_r_t_6 = 0.0_dp
78494 s_r_t2_6 = 0.0_dp
78495 s_r_t_7 = 0.0_dp
78496 s_r_t2_7 = 0.0_dp
78497 s_r_t_8 = 0.0_dp
78498 s_r_t2_8 = 0.0_dp
78499 r_tmp = r_offset + r1*zeta/(zeta + zetb)
78500 rr2_delta = -r_tmp/dr
78501
78502 rr2_l = ceiling(-r_c(2) + rr2_delta)
78503 rr2_r = floor(r_c(2) + rr2_delta)
78504
78505 r = r_tmp + (rr2_l)*dr
78506
78507 exp2_2rdr = exp(-2*alpha*r*dr)
78508 exp2_rsq = exp(-alpha*r*r)
78509
78510 DO rr2 = rr2_l, rr2_r
78511 r_pow_t = 1.0_dp
78512 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
78513 r_pow_t = r_pow_t*r
78514 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
78515 r_pow_t = r_pow_t*r
78516 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
78517 r_pow_t = r_pow_t*r
78518 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
78519 r_pow_t = r_pow_t*r
78520 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
78521 r_pow_t = r_pow_t*r
78522 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
78523 r_pow_t = r_pow_t*r
78524 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
78525 r_pow_t = r_pow_t*r
78526 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
78527 r_pow_t = r_pow_t*r
78528 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
78529
78530 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
78531 exp2_2rdr = exp2_2rdr*exp_2drsq
78532 r = r + dr
78533 END DO
78534
78535 ! C --> H
78536 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
78537 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
78538 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
78539 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
78540 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
78541 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
78542 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
78543 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
78544 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
78545 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
78546 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
78547 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
78548 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
78549 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
78550 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
78551 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
78552 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
78553 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
78554 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
78555 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
78556 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
78557 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
78558 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
78559 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
78560 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
78561 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
78562 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
78563 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
78564 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
78565 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
78566 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
78567 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
78568 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
78569 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
78570 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
78571 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
78572 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
78573 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
78574 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
78575 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
78576 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
78577 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
78578 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
78579 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
78580 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
78581
78582 ! H --> HH
78583 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
78584
78585 c1 = 1.0_dp/(zeta + zetb)
78586 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
78587 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
78588
78589 e_0_1_0 = zeta*( &
78590 +c2*e_0_0_0&
78591
78592 )
78593 e_0_0_1 = zetb*( &
78594 +c3*e_0_0_0&
78595
78596 )
78597 e_1_1_0 = zeta*( c1*e_0_0_0 &
78598
78599
78600 )
78601 e_1_0_1 = zetb*( c1*e_0_0_0 &
78602
78603
78604 )
78605 e_0_2_0 = zeta*( &
78606 +c2*e_0_1_0&
78607 +2*e_1_1_0 &
78608 -2*e_0_0_0)
78609 e_0_1_1 = zetb*( &
78610 +c3*e_0_1_0&
78611 +2*e_1_1_0 &
78612 )
78613 e_1_2_0 = zeta*( c1*e_0_1_0 &
78614 +c2*e_1_1_0&
78615
78616 )
78617 e_1_1_1 = zetb*( c1*e_0_1_0 &
78618 +c3*e_1_1_0&
78619
78620 )
78621 e_2_2_0 = zeta*( c1*e_1_1_0 &
78622
78623
78624 )
78625 e_2_1_1 = zetb*( c1*e_1_1_0 &
78626
78627
78628 )
78629 e_0_2_1 = zetb*( &
78630 +c3*e_0_2_0&
78631 +2*e_1_2_0 &
78632 )
78633 e_1_2_1 = zetb*( c1*e_0_2_0 &
78634 +c3*e_1_2_0&
78635 +4*e_2_2_0 &
78636 )
78637 e_2_2_1 = zetb*( c1*e_1_2_0 &
78638 +c3*e_2_2_0&
78639
78640 )
78641 e_3_2_1 = zetb*( c1*e_2_2_0 &
78642
78643
78644 )
78645 e_0_1_1 = zeta*( &
78646 +c2*e_0_0_1&
78647 +2*e_1_0_1 &
78648 )
78649 e_0_0_2 = zetb*( &
78650 +c3*e_0_0_1&
78651 +2*e_1_0_1 &
78652 -2*e_0_0_0)
78653 e_1_1_1 = zeta*( c1*e_0_0_1 &
78654 +c2*e_1_0_1&
78655
78656 )
78657 e_1_0_2 = zetb*( c1*e_0_0_1 &
78658 +c3*e_1_0_1&
78659
78660 )
78661 e_2_1_1 = zeta*( c1*e_1_0_1 &
78662
78663
78664 )
78665 e_2_0_2 = zetb*( c1*e_1_0_1 &
78666
78667
78668 )
78669 e_0_2_1 = zeta*( &
78670 +c2*e_0_1_1&
78671 +2*e_1_1_1 &
78672 -2*e_0_0_1)
78673 e_0_1_2 = zetb*( &
78674 +c3*e_0_1_1&
78675 +2*e_1_1_1 &
78676 -2*e_0_1_0)
78677 e_1_2_1 = zeta*( c1*e_0_1_1 &
78678 +c2*e_1_1_1&
78679 +4*e_2_1_1 &
78680 -2*e_1_0_1)
78681 e_1_1_2 = zetb*( c1*e_0_1_1 &
78682 +c3*e_1_1_1&
78683 +4*e_2_1_1 &
78684 -2*e_1_1_0)
78685 e_2_2_1 = zeta*( c1*e_1_1_1 &
78686 +c2*e_2_1_1&
78687
78688 )
78689 e_2_1_2 = zetb*( c1*e_1_1_1 &
78690 +c3*e_2_1_1&
78691
78692 )
78693 e_3_2_1 = zeta*( c1*e_2_1_1 &
78694
78695
78696 )
78697 e_3_1_2 = zetb*( c1*e_2_1_1 &
78698
78699
78700 )
78701 e_0_2_2 = zetb*( &
78702 +c3*e_0_2_1&
78703 +2*e_1_2_1 &
78704 -2*e_0_2_0)
78705 e_1_2_2 = zetb*( c1*e_0_2_1 &
78706 +c3*e_1_2_1&
78707 +4*e_2_2_1 &
78708 -2*e_1_2_0)
78709 e_2_2_2 = zetb*( c1*e_1_2_1 &
78710 +c3*e_2_2_1&
78711 +6*e_3_2_1 &
78712 -2*e_2_2_0)
78713 e_3_2_2 = zetb*( c1*e_2_2_1 &
78714 +c3*e_3_2_1&
78715
78716 )
78717 e_4_2_2 = zetb*( c1*e_3_2_1 &
78718
78719
78720 )
78721 e_0_1_2 = zeta*( &
78722 +c2*e_0_0_2&
78723 +2*e_1_0_2 &
78724 )
78725 e_0_0_3 = zetb*( &
78726 +c3*e_0_0_2&
78727 +2*e_1_0_2 &
78728 -4*e_0_0_1)
78729 e_1_1_2 = zeta*( c1*e_0_0_2 &
78730 +c2*e_1_0_2&
78731 +4*e_2_0_2 &
78732 )
78733 e_1_0_3 = zetb*( c1*e_0_0_2 &
78734 +c3*e_1_0_2&
78735 +4*e_2_0_2 &
78736 -4*e_1_0_1)
78737 e_2_1_2 = zeta*( c1*e_1_0_2 &
78738 +c2*e_2_0_2&
78739
78740 )
78741 e_2_0_3 = zetb*( c1*e_1_0_2 &
78742 +c3*e_2_0_2&
78743
78744 )
78745 e_3_1_2 = zeta*( c1*e_2_0_2 &
78746
78747
78748 )
78749 e_3_0_3 = zetb*( c1*e_2_0_2 &
78750
78751
78752 )
78753 e_0_2_2 = zeta*( &
78754 +c2*e_0_1_2&
78755 +2*e_1_1_2 &
78756 -2*e_0_0_2)
78757 e_0_1_3 = zetb*( &
78758 +c3*e_0_1_2&
78759 +2*e_1_1_2 &
78760 -4*e_0_1_1)
78761 e_1_2_2 = zeta*( c1*e_0_1_2 &
78762 +c2*e_1_1_2&
78763 +4*e_2_1_2 &
78764 -2*e_1_0_2)
78765 e_1_1_3 = zetb*( c1*e_0_1_2 &
78766 +c3*e_1_1_2&
78767 +4*e_2_1_2 &
78768 -4*e_1_1_1)
78769 e_2_2_2 = zeta*( c1*e_1_1_2 &
78770 +c2*e_2_1_2&
78771 +6*e_3_1_2 &
78772 -2*e_2_0_2)
78773 e_2_1_3 = zetb*( c1*e_1_1_2 &
78774 +c3*e_2_1_2&
78775 +6*e_3_1_2 &
78776 -4*e_2_1_1)
78777 e_3_2_2 = zeta*( c1*e_2_1_2 &
78778 +c2*e_3_1_2&
78779
78780 )
78781 e_3_1_3 = zetb*( c1*e_2_1_2 &
78782 +c3*e_3_1_2&
78783
78784 )
78785 e_4_2_2 = zeta*( c1*e_3_1_2 &
78786
78787
78788 )
78789 e_4_1_3 = zetb*( c1*e_3_1_2 &
78790
78791
78792 )
78793 e_0_2_3 = zetb*( &
78794 +c3*e_0_2_2&
78795 +2*e_1_2_2 &
78796 -4*e_0_2_1)
78797 e_1_2_3 = zetb*( c1*e_0_2_2 &
78798 +c3*e_1_2_2&
78799 +4*e_2_2_2 &
78800 -4*e_1_2_1)
78801 e_2_2_3 = zetb*( c1*e_1_2_2 &
78802 +c3*e_2_2_2&
78803 +6*e_3_2_2 &
78804 -4*e_2_2_1)
78805 e_3_2_3 = zetb*( c1*e_2_2_2 &
78806 +c3*e_3_2_2&
78807 +8*e_4_2_2 &
78808 -4*e_3_2_1)
78809 e_4_2_3 = zetb*( c1*e_3_2_2 &
78810 +c3*e_4_2_2&
78811
78812 )
78813 e_5_2_3 = zetb*( c1*e_4_2_2 &
78814
78815
78816 )
78817 e_0_1_3 = zeta*( &
78818 +c2*e_0_0_3&
78819 +2*e_1_0_3 &
78820 )
78821 e_1_1_3 = zeta*( c1*e_0_0_3 &
78822 +c2*e_1_0_3&
78823 +4*e_2_0_3 &
78824 )
78825 e_2_1_3 = zeta*( c1*e_1_0_3 &
78826 +c2*e_2_0_3&
78827 +6*e_3_0_3 &
78828 )
78829 e_3_1_3 = zeta*( c1*e_2_0_3 &
78830 +c2*e_3_0_3&
78831
78832 )
78833 e_4_1_3 = zeta*( c1*e_3_0_3 &
78834
78835
78836 )
78837 e_0_2_3 = zeta*( &
78838 +c2*e_0_1_3&
78839 +2*e_1_1_3 &
78840 -2*e_0_0_3)
78841 e_1_2_3 = zeta*( c1*e_0_1_3 &
78842 +c2*e_1_1_3&
78843 +4*e_2_1_3 &
78844 -2*e_1_0_3)
78845 e_2_2_3 = zeta*( c1*e_1_1_3 &
78846 +c2*e_2_1_3&
78847 +6*e_3_1_3 &
78848 -2*e_2_0_3)
78849 e_3_2_3 = zeta*( c1*e_2_1_3 &
78850 +c2*e_3_1_3&
78851 +8*e_4_1_3 &
78852 -2*e_3_0_3)
78853 e_4_2_3 = zeta*( c1*e_3_1_3 &
78854 +c2*e_4_1_3&
78855
78856 )
78857 e_5_2_3 = zeta*( c1*e_4_1_3 &
78858
78859
78860 )
78861
78862 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
78863 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
78864 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
78865 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
78866 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
78867 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78868 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
78869 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
78870 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
78871 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
78872 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78873 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
78874 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
78875 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78876 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78877 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
78878 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
78879 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78880 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
78881 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
78882 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78883 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78884 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
78885 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
78886 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78887 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78888 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78889 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
78890 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
78891 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78892 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78893 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
78894 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
78895 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78896 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78897 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78898 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
78899 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
78900 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78901 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78902 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78903 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78904 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
78905 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
78906 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
78907 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
78908 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
78909 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78910 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
78911 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
78912 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
78913 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
78914 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78915 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
78916 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
78917 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
78918 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
78919 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
78920 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
78921 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
78922 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
78923 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
78924 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
78925 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
78926 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
78927 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
78928 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
78929 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
78930 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
78931 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
78932 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
78933 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
78934 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
78935 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
78936 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
78937 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
78938 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
78939 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
78940 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
78941 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
78942 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
78943 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
78944 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
78945 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
78946 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
78947 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
78948 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
78949 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78950 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
78951 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
78952 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
78953 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
78954 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78955 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
78956 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
78957 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78958 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78959 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
78960 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
78961 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78962 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
78963 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
78964 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78965 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78966 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
78967 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
78968 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78969 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78970 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78971 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
78972 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
78973 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78974 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78975 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
78976 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
78977 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78978 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78979 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78980 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
78981 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
78982 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78983 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78984 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78985 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78986 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
78987 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
78988 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
78989 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
78990 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
78991 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78992 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
78993 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
78994 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
78995 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
78996 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78997 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
78998 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
78999 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79000 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79001 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
79002 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
79003 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79004 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
79005 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
79006 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79007 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79008 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
79009 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
79010 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79011 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79012 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79013 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
79014 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
79015 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79016 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79017 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
79018 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
79019 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79020 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79021 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79022 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
79023 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
79024 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79025 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79026 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79027 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79028 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
79029 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
79030 r1 = r1 + dr
79031 END DO
79032
79033 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
79034 END SUBROUTINE
79035 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_4_exp_1 ( &
79036 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
79037 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
79038 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
79039 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
79040 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
79041 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
79042 r_pow_t, r_tmp, rr1_delta, rr2_delta
79043
79044 REAL(kind=dp) :: c1, c2, c3
79045 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
79046 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
79047 & s_r_t2_9
79048 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
79049 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
79050 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
79051 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
79052 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
79053 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
79054 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
79055 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
79056 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
79057 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
79058
79059 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
79060
79061 dr = lgth
79062 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
79063
79064 s_r(:, :, :) = 0.0_dp
79065
79066 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
79067
79068 h_to_c_0_0 = sqrt(alpha/pi)
79069
79070 h_to_c_0_1 = 0.0_dp
79071 h_to_c_1_1 = +2*alpha*h_to_c_0_0
79072 h_to_c_0_2 = -1*h_to_c_1_1
79073 h_to_c_1_2 = +2*alpha*h_to_c_0_1
79074 h_to_c_2_2 = +2*alpha*h_to_c_1_1
79075 h_to_c_0_3 = -1*h_to_c_1_2
79076 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
79077 h_to_c_2_3 = +2*alpha*h_to_c_1_2
79078 h_to_c_3_3 = +2*alpha*h_to_c_2_2
79079 h_to_c_0_4 = -1*h_to_c_1_3
79080 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
79081 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
79082 h_to_c_3_4 = +2*alpha*h_to_c_2_3
79083 h_to_c_4_4 = +2*alpha*h_to_c_3_3
79084 h_to_c_0_5 = -1*h_to_c_1_4
79085 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
79086 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
79087 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
79088 h_to_c_4_5 = +2*alpha*h_to_c_3_4
79089 h_to_c_5_5 = +2*alpha*h_to_c_4_4
79090 h_to_c_0_6 = -1*h_to_c_1_5
79091 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
79092 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
79093 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
79094 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
79095 h_to_c_5_6 = +2*alpha*h_to_c_4_5
79096 h_to_c_6_6 = +2*alpha*h_to_c_5_5
79097 h_to_c_0_7 = -1*h_to_c_1_6
79098 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
79099 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
79100 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
79101 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
79102 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
79103 h_to_c_6_7 = +2*alpha*h_to_c_5_6
79104 h_to_c_7_7 = +2*alpha*h_to_c_6_6
79105 h_to_c_0_8 = -1*h_to_c_1_7
79106 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
79107 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
79108 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
79109 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
79110 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
79111 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
79112 h_to_c_7_8 = +2*alpha*h_to_c_6_7
79113 h_to_c_8_8 = +2*alpha*h_to_c_7_7
79114 h_to_c_0_9 = -1*h_to_c_1_8
79115 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
79116 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
79117 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
79118 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
79119 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
79120 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
79121 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
79122 h_to_c_8_9 = +2*alpha*h_to_c_7_8
79123 h_to_c_9_9 = +2*alpha*h_to_c_8_8
79124
79125 exp_drsq = exp(-alpha*dr*dr)
79126 exp_2drsq = exp_drsq*exp_drsq
79127
79128 rr1_delta = (ra - rb)/dr
79129
79130 rr1_l = ceiling(-r_c(1) + rr1_delta)
79131 rr1_r = floor(r_c(1) + rr1_delta)
79132
79133 r1 = rr1_l*dr
79134
79135 alpha_e = zeta*zetb/(zeta + zetb)
79136
79137 DO rr1 = rr1_l, rr1_r
79138 s_r_t_0 = 0.0_dp
79139 s_r_t2_0 = 0.0_dp
79140 s_r_t_1 = 0.0_dp
79141 s_r_t2_1 = 0.0_dp
79142 s_r_t_2 = 0.0_dp
79143 s_r_t2_2 = 0.0_dp
79144 s_r_t_3 = 0.0_dp
79145 s_r_t2_3 = 0.0_dp
79146 s_r_t_4 = 0.0_dp
79147 s_r_t2_4 = 0.0_dp
79148 s_r_t_5 = 0.0_dp
79149 s_r_t2_5 = 0.0_dp
79150 s_r_t_6 = 0.0_dp
79151 s_r_t2_6 = 0.0_dp
79152 s_r_t_7 = 0.0_dp
79153 s_r_t2_7 = 0.0_dp
79154 s_r_t_8 = 0.0_dp
79155 s_r_t2_8 = 0.0_dp
79156 s_r_t_9 = 0.0_dp
79157 s_r_t2_9 = 0.0_dp
79158 r_tmp = r_offset + r1*zeta/(zeta + zetb)
79159 rr2_delta = -r_tmp/dr
79160
79161 rr2_l = ceiling(-r_c(2) + rr2_delta)
79162 rr2_r = floor(r_c(2) + rr2_delta)
79163
79164 r = r_tmp + (rr2_l)*dr
79165
79166 exp2_2rdr = exp(-2*alpha*r*dr)
79167 exp2_rsq = exp(-alpha*r*r)
79168
79169 DO rr2 = rr2_l, rr2_r
79170 r_pow_t = 1.0_dp
79171 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
79172 r_pow_t = r_pow_t*r
79173 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
79174 r_pow_t = r_pow_t*r
79175 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
79176 r_pow_t = r_pow_t*r
79177 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
79178 r_pow_t = r_pow_t*r
79179 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
79180 r_pow_t = r_pow_t*r
79181 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
79182 r_pow_t = r_pow_t*r
79183 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
79184 r_pow_t = r_pow_t*r
79185 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
79186 r_pow_t = r_pow_t*r
79187 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
79188 r_pow_t = r_pow_t*r
79189 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
79190
79191 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
79192 exp2_2rdr = exp2_2rdr*exp_2drsq
79193 r = r + dr
79194 END DO
79195
79196 ! C --> H
79197 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
79198 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
79199 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
79200 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
79201 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
79202 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
79203 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
79204 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
79205 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
79206 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
79207 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
79208 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
79209 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
79210 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
79211 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
79212 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
79213 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
79214 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
79215 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
79216 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
79217 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
79218 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
79219 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
79220 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
79221 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
79222 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
79223 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
79224 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
79225 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
79226 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
79227 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
79228 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
79229 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
79230 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
79231 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
79232 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
79233 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
79234 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
79235 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
79236 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
79237 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
79238 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
79239 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
79240 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
79241 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
79242 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
79243 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
79244 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
79245 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
79246 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
79247 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
79248 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
79249 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
79250 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
79251 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
79252
79253 ! H --> HH
79254 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
79255
79256 c1 = 1.0_dp/(zeta + zetb)
79257 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
79258 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
79259
79260 e_0_1_0 = zeta*( &
79261 +c2*e_0_0_0&
79262
79263 )
79264 e_0_0_1 = zetb*( &
79265 +c3*e_0_0_0&
79266
79267 )
79268 e_1_1_0 = zeta*( c1*e_0_0_0 &
79269
79270
79271 )
79272 e_1_0_1 = zetb*( c1*e_0_0_0 &
79273
79274
79275 )
79276 e_0_2_0 = zeta*( &
79277 +c2*e_0_1_0&
79278 +2*e_1_1_0 &
79279 -2*e_0_0_0)
79280 e_0_1_1 = zetb*( &
79281 +c3*e_0_1_0&
79282 +2*e_1_1_0 &
79283 )
79284 e_1_2_0 = zeta*( c1*e_0_1_0 &
79285 +c2*e_1_1_0&
79286
79287 )
79288 e_1_1_1 = zetb*( c1*e_0_1_0 &
79289 +c3*e_1_1_0&
79290
79291 )
79292 e_2_2_0 = zeta*( c1*e_1_1_0 &
79293
79294
79295 )
79296 e_2_1_1 = zetb*( c1*e_1_1_0 &
79297
79298
79299 )
79300 e_0_2_1 = zetb*( &
79301 +c3*e_0_2_0&
79302 +2*e_1_2_0 &
79303 )
79304 e_1_2_1 = zetb*( c1*e_0_2_0 &
79305 +c3*e_1_2_0&
79306 +4*e_2_2_0 &
79307 )
79308 e_2_2_1 = zetb*( c1*e_1_2_0 &
79309 +c3*e_2_2_0&
79310
79311 )
79312 e_3_2_1 = zetb*( c1*e_2_2_0 &
79313
79314
79315 )
79316 e_0_1_1 = zeta*( &
79317 +c2*e_0_0_1&
79318 +2*e_1_0_1 &
79319 )
79320 e_0_0_2 = zetb*( &
79321 +c3*e_0_0_1&
79322 +2*e_1_0_1 &
79323 -2*e_0_0_0)
79324 e_1_1_1 = zeta*( c1*e_0_0_1 &
79325 +c2*e_1_0_1&
79326
79327 )
79328 e_1_0_2 = zetb*( c1*e_0_0_1 &
79329 +c3*e_1_0_1&
79330
79331 )
79332 e_2_1_1 = zeta*( c1*e_1_0_1 &
79333
79334
79335 )
79336 e_2_0_2 = zetb*( c1*e_1_0_1 &
79337
79338
79339 )
79340 e_0_2_1 = zeta*( &
79341 +c2*e_0_1_1&
79342 +2*e_1_1_1 &
79343 -2*e_0_0_1)
79344 e_0_1_2 = zetb*( &
79345 +c3*e_0_1_1&
79346 +2*e_1_1_1 &
79347 -2*e_0_1_0)
79348 e_1_2_1 = zeta*( c1*e_0_1_1 &
79349 +c2*e_1_1_1&
79350 +4*e_2_1_1 &
79351 -2*e_1_0_1)
79352 e_1_1_2 = zetb*( c1*e_0_1_1 &
79353 +c3*e_1_1_1&
79354 +4*e_2_1_1 &
79355 -2*e_1_1_0)
79356 e_2_2_1 = zeta*( c1*e_1_1_1 &
79357 +c2*e_2_1_1&
79358
79359 )
79360 e_2_1_2 = zetb*( c1*e_1_1_1 &
79361 +c3*e_2_1_1&
79362
79363 )
79364 e_3_2_1 = zeta*( c1*e_2_1_1 &
79365
79366
79367 )
79368 e_3_1_2 = zetb*( c1*e_2_1_1 &
79369
79370
79371 )
79372 e_0_2_2 = zetb*( &
79373 +c3*e_0_2_1&
79374 +2*e_1_2_1 &
79375 -2*e_0_2_0)
79376 e_1_2_2 = zetb*( c1*e_0_2_1 &
79377 +c3*e_1_2_1&
79378 +4*e_2_2_1 &
79379 -2*e_1_2_0)
79380 e_2_2_2 = zetb*( c1*e_1_2_1 &
79381 +c3*e_2_2_1&
79382 +6*e_3_2_1 &
79383 -2*e_2_2_0)
79384 e_3_2_2 = zetb*( c1*e_2_2_1 &
79385 +c3*e_3_2_1&
79386
79387 )
79388 e_4_2_2 = zetb*( c1*e_3_2_1 &
79389
79390
79391 )
79392 e_0_1_2 = zeta*( &
79393 +c2*e_0_0_2&
79394 +2*e_1_0_2 &
79395 )
79396 e_0_0_3 = zetb*( &
79397 +c3*e_0_0_2&
79398 +2*e_1_0_2 &
79399 -4*e_0_0_1)
79400 e_1_1_2 = zeta*( c1*e_0_0_2 &
79401 +c2*e_1_0_2&
79402 +4*e_2_0_2 &
79403 )
79404 e_1_0_3 = zetb*( c1*e_0_0_2 &
79405 +c3*e_1_0_2&
79406 +4*e_2_0_2 &
79407 -4*e_1_0_1)
79408 e_2_1_2 = zeta*( c1*e_1_0_2 &
79409 +c2*e_2_0_2&
79410
79411 )
79412 e_2_0_3 = zetb*( c1*e_1_0_2 &
79413 +c3*e_2_0_2&
79414
79415 )
79416 e_3_1_2 = zeta*( c1*e_2_0_2 &
79417
79418
79419 )
79420 e_3_0_3 = zetb*( c1*e_2_0_2 &
79421
79422
79423 )
79424 e_0_2_2 = zeta*( &
79425 +c2*e_0_1_2&
79426 +2*e_1_1_2 &
79427 -2*e_0_0_2)
79428 e_0_1_3 = zetb*( &
79429 +c3*e_0_1_2&
79430 +2*e_1_1_2 &
79431 -4*e_0_1_1)
79432 e_1_2_2 = zeta*( c1*e_0_1_2 &
79433 +c2*e_1_1_2&
79434 +4*e_2_1_2 &
79435 -2*e_1_0_2)
79436 e_1_1_3 = zetb*( c1*e_0_1_2 &
79437 +c3*e_1_1_2&
79438 +4*e_2_1_2 &
79439 -4*e_1_1_1)
79440 e_2_2_2 = zeta*( c1*e_1_1_2 &
79441 +c2*e_2_1_2&
79442 +6*e_3_1_2 &
79443 -2*e_2_0_2)
79444 e_2_1_3 = zetb*( c1*e_1_1_2 &
79445 +c3*e_2_1_2&
79446 +6*e_3_1_2 &
79447 -4*e_2_1_1)
79448 e_3_2_2 = zeta*( c1*e_2_1_2 &
79449 +c2*e_3_1_2&
79450
79451 )
79452 e_3_1_3 = zetb*( c1*e_2_1_2 &
79453 +c3*e_3_1_2&
79454
79455 )
79456 e_4_2_2 = zeta*( c1*e_3_1_2 &
79457
79458
79459 )
79460 e_4_1_3 = zetb*( c1*e_3_1_2 &
79461
79462
79463 )
79464 e_0_2_3 = zetb*( &
79465 +c3*e_0_2_2&
79466 +2*e_1_2_2 &
79467 -4*e_0_2_1)
79468 e_1_2_3 = zetb*( c1*e_0_2_2 &
79469 +c3*e_1_2_2&
79470 +4*e_2_2_2 &
79471 -4*e_1_2_1)
79472 e_2_2_3 = zetb*( c1*e_1_2_2 &
79473 +c3*e_2_2_2&
79474 +6*e_3_2_2 &
79475 -4*e_2_2_1)
79476 e_3_2_3 = zetb*( c1*e_2_2_2 &
79477 +c3*e_3_2_2&
79478 +8*e_4_2_2 &
79479 -4*e_3_2_1)
79480 e_4_2_3 = zetb*( c1*e_3_2_2 &
79481 +c3*e_4_2_2&
79482
79483 )
79484 e_5_2_3 = zetb*( c1*e_4_2_2 &
79485
79486
79487 )
79488 e_0_1_3 = zeta*( &
79489 +c2*e_0_0_3&
79490 +2*e_1_0_3 &
79491 )
79492 e_1_1_3 = zeta*( c1*e_0_0_3 &
79493 +c2*e_1_0_3&
79494 +4*e_2_0_3 &
79495 )
79496 e_2_1_3 = zeta*( c1*e_1_0_3 &
79497 +c2*e_2_0_3&
79498 +6*e_3_0_3 &
79499 )
79500 e_3_1_3 = zeta*( c1*e_2_0_3 &
79501 +c2*e_3_0_3&
79502
79503 )
79504 e_4_1_3 = zeta*( c1*e_3_0_3 &
79505
79506
79507 )
79508 e_0_2_3 = zeta*( &
79509 +c2*e_0_1_3&
79510 +2*e_1_1_3 &
79511 -2*e_0_0_3)
79512 e_1_2_3 = zeta*( c1*e_0_1_3 &
79513 +c2*e_1_1_3&
79514 +4*e_2_1_3 &
79515 -2*e_1_0_3)
79516 e_2_2_3 = zeta*( c1*e_1_1_3 &
79517 +c2*e_2_1_3&
79518 +6*e_3_1_3 &
79519 -2*e_2_0_3)
79520 e_3_2_3 = zeta*( c1*e_2_1_3 &
79521 +c2*e_3_1_3&
79522 +8*e_4_1_3 &
79523 -2*e_3_0_3)
79524 e_4_2_3 = zeta*( c1*e_3_1_3 &
79525 +c2*e_4_1_3&
79526
79527 )
79528 e_5_2_3 = zeta*( c1*e_4_1_3 &
79529
79530
79531 )
79532
79533 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
79534 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
79535 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
79536 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
79537 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
79538 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
79539 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
79540 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
79541 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
79542 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
79543 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
79544 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
79545 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
79546 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
79547 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
79548 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
79549 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
79550 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
79551 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
79552 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
79553 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
79554 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
79555 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
79556 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
79557 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
79558 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
79559 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79560 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
79561 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
79562 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
79563 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
79564 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
79565 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
79566 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
79567 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
79568 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79569 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
79570 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
79571 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
79572 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
79573 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79574 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79575 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
79576 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
79577 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
79578 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
79579 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
79580 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
79581 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
79582 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
79583 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
79584 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
79585 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
79586 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
79587 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
79588 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79589 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79590 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
79591 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
79592 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79593 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
79594 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
79595 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79596 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79597 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
79598 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
79599 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79600 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79601 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79602 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
79603 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
79604 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79605 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79606 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
79607 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
79608 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79609 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79610 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79611 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
79612 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
79613 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79614 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79615 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79616 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79617 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
79618 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
79619 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
79620 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
79621 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
79622 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
79623 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
79624 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
79625 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
79626 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
79627 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
79628 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
79629 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
79630 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
79631 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
79632 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
79633 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
79634 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
79635 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
79636 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
79637 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
79638 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
79639 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
79640 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
79641 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79642 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
79643 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
79644 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
79645 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
79646 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
79647 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
79648 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
79649 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
79650 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79651 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
79652 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
79653 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
79654 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
79655 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79656 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79657 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
79658 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
79659 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
79660 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
79661 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
79662 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
79663 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
79664 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
79665 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
79666 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
79667 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
79668 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
79669 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
79670 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79671 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79672 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
79673 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
79674 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79675 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
79676 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
79677 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79678 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79679 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
79680 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
79681 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79682 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79683 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79684 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
79685 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
79686 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79687 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79688 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
79689 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
79690 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79691 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79692 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79693 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
79694 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
79695 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79696 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79697 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79698 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79699 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
79700 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
79701 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
79702 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
79703 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
79704 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
79705 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
79706 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
79707 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
79708 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
79709 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
79710 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
79711 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
79712 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
79713 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
79714 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
79715 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
79716 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
79717 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
79718 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
79719 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
79720 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
79721 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
79722 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
79723 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79724 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
79725 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
79726 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
79727 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
79728 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
79729 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
79730 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
79731 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
79732 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79733 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
79734 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
79735 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
79736 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
79737 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79738 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79739 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
79740 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
79741 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
79742 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
79743 r1 = r1 + dr
79744 END DO
79745
79746 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
79747 END SUBROUTINE
79748 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_0_exp_1 ( &
79749 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
79750 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
79751 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
79752 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
79753 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
79754 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
79755 r_pow_t, r_tmp, rr1_delta, rr2_delta
79756
79757 REAL(kind=dp) :: c1, c2, c3
79758 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
79759 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
79760 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
79761 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
79762 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
79763 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
79764 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
79765 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
79766 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
79767 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
79768
79769 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
79770
79771 dr = lgth
79772 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
79773
79774 s_r(:, :, :) = 0.0_dp
79775
79776 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
79777
79778 h_to_c_0_0 = sqrt(alpha/pi)
79779
79780 h_to_c_0_1 = 0.0_dp
79781 h_to_c_1_1 = +2*alpha*h_to_c_0_0
79782 h_to_c_0_2 = -1*h_to_c_1_1
79783 h_to_c_1_2 = +2*alpha*h_to_c_0_1
79784 h_to_c_2_2 = +2*alpha*h_to_c_1_1
79785 h_to_c_0_3 = -1*h_to_c_1_2
79786 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
79787 h_to_c_2_3 = +2*alpha*h_to_c_1_2
79788 h_to_c_3_3 = +2*alpha*h_to_c_2_2
79789 h_to_c_0_4 = -1*h_to_c_1_3
79790 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
79791 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
79792 h_to_c_3_4 = +2*alpha*h_to_c_2_3
79793 h_to_c_4_4 = +2*alpha*h_to_c_3_3
79794 h_to_c_0_5 = -1*h_to_c_1_4
79795 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
79796 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
79797 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
79798 h_to_c_4_5 = +2*alpha*h_to_c_3_4
79799 h_to_c_5_5 = +2*alpha*h_to_c_4_4
79800 h_to_c_0_6 = -1*h_to_c_1_5
79801 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
79802 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
79803 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
79804 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
79805 h_to_c_5_6 = +2*alpha*h_to_c_4_5
79806 h_to_c_6_6 = +2*alpha*h_to_c_5_5
79807
79808 exp_drsq = exp(-alpha*dr*dr)
79809 exp_2drsq = exp_drsq*exp_drsq
79810
79811 rr1_delta = (ra - rb)/dr
79812
79813 rr1_l = ceiling(-r_c(1) + rr1_delta)
79814 rr1_r = floor(r_c(1) + rr1_delta)
79815
79816 r1 = rr1_l*dr
79817
79818 alpha_e = zeta*zetb/(zeta + zetb)
79819
79820 DO rr1 = rr1_l, rr1_r
79821 s_r_t_0 = 0.0_dp
79822 s_r_t2_0 = 0.0_dp
79823 s_r_t_1 = 0.0_dp
79824 s_r_t2_1 = 0.0_dp
79825 s_r_t_2 = 0.0_dp
79826 s_r_t2_2 = 0.0_dp
79827 s_r_t_3 = 0.0_dp
79828 s_r_t2_3 = 0.0_dp
79829 s_r_t_4 = 0.0_dp
79830 s_r_t2_4 = 0.0_dp
79831 s_r_t_5 = 0.0_dp
79832 s_r_t2_5 = 0.0_dp
79833 s_r_t_6 = 0.0_dp
79834 s_r_t2_6 = 0.0_dp
79835 r_tmp = r_offset + r1*zeta/(zeta + zetb)
79836 rr2_delta = -r_tmp/dr
79837
79838 rr2_l = ceiling(-r_c(2) + rr2_delta)
79839 rr2_r = floor(r_c(2) + rr2_delta)
79840
79841 r = r_tmp + (rr2_l)*dr
79842
79843 exp2_2rdr = exp(-2*alpha*r*dr)
79844 exp2_rsq = exp(-alpha*r*r)
79845
79846 DO rr2 = rr2_l, rr2_r
79847 r_pow_t = 1.0_dp
79848 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
79849 r_pow_t = r_pow_t*r
79850 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
79851 r_pow_t = r_pow_t*r
79852 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
79853 r_pow_t = r_pow_t*r
79854 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
79855 r_pow_t = r_pow_t*r
79856 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
79857 r_pow_t = r_pow_t*r
79858 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
79859 r_pow_t = r_pow_t*r
79860 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
79861
79862 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
79863 exp2_2rdr = exp2_2rdr*exp_2drsq
79864 r = r + dr
79865 END DO
79866
79867 ! C --> H
79868 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
79869 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
79870 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
79871 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
79872 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
79873 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
79874 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
79875 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
79876 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
79877 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
79878 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
79879 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
79880 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
79881 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
79882 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
79883 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
79884 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
79885 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
79886 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
79887 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
79888 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
79889 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
79890 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
79891 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
79892 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
79893 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
79894 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
79895 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
79896
79897 ! H --> HH
79898 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
79899
79900 c1 = 1.0_dp/(zeta + zetb)
79901 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
79902 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
79903
79904 e_0_1_0 = zeta*( &
79905 +c2*e_0_0_0&
79906
79907 )
79908 e_0_0_1 = zetb*( &
79909 +c3*e_0_0_0&
79910
79911 )
79912 e_1_1_0 = zeta*( c1*e_0_0_0 &
79913
79914
79915 )
79916 e_1_0_1 = zetb*( c1*e_0_0_0 &
79917
79918
79919 )
79920 e_0_2_0 = zeta*( &
79921 +c2*e_0_1_0&
79922 +2*e_1_1_0 &
79923 -2*e_0_0_0)
79924 e_0_1_1 = zetb*( &
79925 +c3*e_0_1_0&
79926 +2*e_1_1_0 &
79927 )
79928 e_1_2_0 = zeta*( c1*e_0_1_0 &
79929 +c2*e_1_1_0&
79930
79931 )
79932 e_1_1_1 = zetb*( c1*e_0_1_0 &
79933 +c3*e_1_1_0&
79934
79935 )
79936 e_2_2_0 = zeta*( c1*e_1_1_0 &
79937
79938
79939 )
79940 e_2_1_1 = zetb*( c1*e_1_1_0 &
79941
79942
79943 )
79944 e_0_2_1 = zetb*( &
79945 +c3*e_0_2_0&
79946 +2*e_1_2_0 &
79947 )
79948 e_1_2_1 = zetb*( c1*e_0_2_0 &
79949 +c3*e_1_2_0&
79950 +4*e_2_2_0 &
79951 )
79952 e_2_2_1 = zetb*( c1*e_1_2_0 &
79953 +c3*e_2_2_0&
79954
79955 )
79956 e_3_2_1 = zetb*( c1*e_2_2_0 &
79957
79958
79959 )
79960 e_0_1_1 = zeta*( &
79961 +c2*e_0_0_1&
79962 +2*e_1_0_1 &
79963 )
79964 e_0_0_2 = zetb*( &
79965 +c3*e_0_0_1&
79966 +2*e_1_0_1 &
79967 -2*e_0_0_0)
79968 e_1_1_1 = zeta*( c1*e_0_0_1 &
79969 +c2*e_1_0_1&
79970
79971 )
79972 e_1_0_2 = zetb*( c1*e_0_0_1 &
79973 +c3*e_1_0_1&
79974
79975 )
79976 e_2_1_1 = zeta*( c1*e_1_0_1 &
79977
79978
79979 )
79980 e_2_0_2 = zetb*( c1*e_1_0_1 &
79981
79982
79983 )
79984 e_0_2_1 = zeta*( &
79985 +c2*e_0_1_1&
79986 +2*e_1_1_1 &
79987 -2*e_0_0_1)
79988 e_0_1_2 = zetb*( &
79989 +c3*e_0_1_1&
79990 +2*e_1_1_1 &
79991 -2*e_0_1_0)
79992 e_1_2_1 = zeta*( c1*e_0_1_1 &
79993 +c2*e_1_1_1&
79994 +4*e_2_1_1 &
79995 -2*e_1_0_1)
79996 e_1_1_2 = zetb*( c1*e_0_1_1 &
79997 +c3*e_1_1_1&
79998 +4*e_2_1_1 &
79999 -2*e_1_1_0)
80000 e_2_2_1 = zeta*( c1*e_1_1_1 &
80001 +c2*e_2_1_1&
80002
80003 )
80004 e_2_1_2 = zetb*( c1*e_1_1_1 &
80005 +c3*e_2_1_1&
80006
80007 )
80008 e_3_2_1 = zeta*( c1*e_2_1_1 &
80009
80010
80011 )
80012 e_3_1_2 = zetb*( c1*e_2_1_1 &
80013
80014
80015 )
80016 e_0_2_2 = zetb*( &
80017 +c3*e_0_2_1&
80018 +2*e_1_2_1 &
80019 -2*e_0_2_0)
80020 e_1_2_2 = zetb*( c1*e_0_2_1 &
80021 +c3*e_1_2_1&
80022 +4*e_2_2_1 &
80023 -2*e_1_2_0)
80024 e_2_2_2 = zetb*( c1*e_1_2_1 &
80025 +c3*e_2_2_1&
80026 +6*e_3_2_1 &
80027 -2*e_2_2_0)
80028 e_3_2_2 = zetb*( c1*e_2_2_1 &
80029 +c3*e_3_2_1&
80030
80031 )
80032 e_4_2_2 = zetb*( c1*e_3_2_1 &
80033
80034
80035 )
80036 e_0_1_2 = zeta*( &
80037 +c2*e_0_0_2&
80038 +2*e_1_0_2 &
80039 )
80040 e_0_0_3 = zetb*( &
80041 +c3*e_0_0_2&
80042 +2*e_1_0_2 &
80043 -4*e_0_0_1)
80044 e_1_1_2 = zeta*( c1*e_0_0_2 &
80045 +c2*e_1_0_2&
80046 +4*e_2_0_2 &
80047 )
80048 e_1_0_3 = zetb*( c1*e_0_0_2 &
80049 +c3*e_1_0_2&
80050 +4*e_2_0_2 &
80051 -4*e_1_0_1)
80052 e_2_1_2 = zeta*( c1*e_1_0_2 &
80053 +c2*e_2_0_2&
80054
80055 )
80056 e_2_0_3 = zetb*( c1*e_1_0_2 &
80057 +c3*e_2_0_2&
80058
80059 )
80060 e_3_1_2 = zeta*( c1*e_2_0_2 &
80061
80062
80063 )
80064 e_3_0_3 = zetb*( c1*e_2_0_2 &
80065
80066
80067 )
80068 e_0_2_2 = zeta*( &
80069 +c2*e_0_1_2&
80070 +2*e_1_1_2 &
80071 -2*e_0_0_2)
80072 e_0_1_3 = zetb*( &
80073 +c3*e_0_1_2&
80074 +2*e_1_1_2 &
80075 -4*e_0_1_1)
80076 e_1_2_2 = zeta*( c1*e_0_1_2 &
80077 +c2*e_1_1_2&
80078 +4*e_2_1_2 &
80079 -2*e_1_0_2)
80080 e_1_1_3 = zetb*( c1*e_0_1_2 &
80081 +c3*e_1_1_2&
80082 +4*e_2_1_2 &
80083 -4*e_1_1_1)
80084 e_2_2_2 = zeta*( c1*e_1_1_2 &
80085 +c2*e_2_1_2&
80086 +6*e_3_1_2 &
80087 -2*e_2_0_2)
80088 e_2_1_3 = zetb*( c1*e_1_1_2 &
80089 +c3*e_2_1_2&
80090 +6*e_3_1_2 &
80091 -4*e_2_1_1)
80092 e_3_2_2 = zeta*( c1*e_2_1_2 &
80093 +c2*e_3_1_2&
80094
80095 )
80096 e_3_1_3 = zetb*( c1*e_2_1_2 &
80097 +c3*e_3_1_2&
80098
80099 )
80100 e_4_2_2 = zeta*( c1*e_3_1_2 &
80101
80102
80103 )
80104 e_4_1_3 = zetb*( c1*e_3_1_2 &
80105
80106
80107 )
80108 e_0_2_3 = zetb*( &
80109 +c3*e_0_2_2&
80110 +2*e_1_2_2 &
80111 -4*e_0_2_1)
80112 e_1_2_3 = zetb*( c1*e_0_2_2 &
80113 +c3*e_1_2_2&
80114 +4*e_2_2_2 &
80115 -4*e_1_2_1)
80116 e_2_2_3 = zetb*( c1*e_1_2_2 &
80117 +c3*e_2_2_2&
80118 +6*e_3_2_2 &
80119 -4*e_2_2_1)
80120 e_3_2_3 = zetb*( c1*e_2_2_2 &
80121 +c3*e_3_2_2&
80122 +8*e_4_2_2 &
80123 -4*e_3_2_1)
80124 e_4_2_3 = zetb*( c1*e_3_2_2 &
80125 +c3*e_4_2_2&
80126
80127 )
80128 e_5_2_3 = zetb*( c1*e_4_2_2 &
80129
80130
80131 )
80132 e_0_1_3 = zeta*( &
80133 +c2*e_0_0_3&
80134 +2*e_1_0_3 &
80135 )
80136 e_0_0_4 = zetb*( &
80137 +c3*e_0_0_3&
80138 +2*e_1_0_3 &
80139 -6*e_0_0_2)
80140 e_1_1_3 = zeta*( c1*e_0_0_3 &
80141 +c2*e_1_0_3&
80142 +4*e_2_0_3 &
80143 )
80144 e_1_0_4 = zetb*( c1*e_0_0_3 &
80145 +c3*e_1_0_3&
80146 +4*e_2_0_3 &
80147 -6*e_1_0_2)
80148 e_2_1_3 = zeta*( c1*e_1_0_3 &
80149 +c2*e_2_0_3&
80150 +6*e_3_0_3 &
80151 )
80152 e_2_0_4 = zetb*( c1*e_1_0_3 &
80153 +c3*e_2_0_3&
80154 +6*e_3_0_3 &
80155 -6*e_2_0_2)
80156 e_3_1_3 = zeta*( c1*e_2_0_3 &
80157 +c2*e_3_0_3&
80158
80159 )
80160 e_3_0_4 = zetb*( c1*e_2_0_3 &
80161 +c3*e_3_0_3&
80162
80163 )
80164 e_4_1_3 = zeta*( c1*e_3_0_3 &
80165
80166
80167 )
80168 e_4_0_4 = zetb*( c1*e_3_0_3 &
80169
80170
80171 )
80172 e_0_2_3 = zeta*( &
80173 +c2*e_0_1_3&
80174 +2*e_1_1_3 &
80175 -2*e_0_0_3)
80176 e_0_1_4 = zetb*( &
80177 +c3*e_0_1_3&
80178 +2*e_1_1_3 &
80179 -6*e_0_1_2)
80180 e_1_2_3 = zeta*( c1*e_0_1_3 &
80181 +c2*e_1_1_3&
80182 +4*e_2_1_3 &
80183 -2*e_1_0_3)
80184 e_1_1_4 = zetb*( c1*e_0_1_3 &
80185 +c3*e_1_1_3&
80186 +4*e_2_1_3 &
80187 -6*e_1_1_2)
80188 e_2_2_3 = zeta*( c1*e_1_1_3 &
80189 +c2*e_2_1_3&
80190 +6*e_3_1_3 &
80191 -2*e_2_0_3)
80192 e_2_1_4 = zetb*( c1*e_1_1_3 &
80193 +c3*e_2_1_3&
80194 +6*e_3_1_3 &
80195 -6*e_2_1_2)
80196 e_3_2_3 = zeta*( c1*e_2_1_3 &
80197 +c2*e_3_1_3&
80198 +8*e_4_1_3 &
80199 -2*e_3_0_3)
80200 e_3_1_4 = zetb*( c1*e_2_1_3 &
80201 +c3*e_3_1_3&
80202 +8*e_4_1_3 &
80203 -6*e_3_1_2)
80204 e_4_2_3 = zeta*( c1*e_3_1_3 &
80205 +c2*e_4_1_3&
80206
80207 )
80208 e_4_1_4 = zetb*( c1*e_3_1_3 &
80209 +c3*e_4_1_3&
80210
80211 )
80212 e_5_2_3 = zeta*( c1*e_4_1_3 &
80213
80214
80215 )
80216 e_5_1_4 = zetb*( c1*e_4_1_3 &
80217
80218
80219 )
80220 e_0_2_4 = zetb*( &
80221 +c3*e_0_2_3&
80222 +2*e_1_2_3 &
80223 -6*e_0_2_2)
80224 e_1_2_4 = zetb*( c1*e_0_2_3 &
80225 +c3*e_1_2_3&
80226 +4*e_2_2_3 &
80227 -6*e_1_2_2)
80228 e_2_2_4 = zetb*( c1*e_1_2_3 &
80229 +c3*e_2_2_3&
80230 +6*e_3_2_3 &
80231 -6*e_2_2_2)
80232 e_3_2_4 = zetb*( c1*e_2_2_3 &
80233 +c3*e_3_2_3&
80234 +8*e_4_2_3 &
80235 -6*e_3_2_2)
80236 e_4_2_4 = zetb*( c1*e_3_2_3 &
80237 +c3*e_4_2_3&
80238 +10*e_5_2_3 &
80239 -6*e_4_2_2)
80240 e_5_2_4 = zetb*( c1*e_4_2_3 &
80241 +c3*e_5_2_3&
80242
80243 )
80244 e_6_2_4 = zetb*( c1*e_5_2_3 &
80245
80246
80247 )
80248 e_0_1_4 = zeta*( &
80249 +c2*e_0_0_4&
80250 +2*e_1_0_4 &
80251 )
80252 e_1_1_4 = zeta*( c1*e_0_0_4 &
80253 +c2*e_1_0_4&
80254 +4*e_2_0_4 &
80255 )
80256 e_2_1_4 = zeta*( c1*e_1_0_4 &
80257 +c2*e_2_0_4&
80258 +6*e_3_0_4 &
80259 )
80260 e_3_1_4 = zeta*( c1*e_2_0_4 &
80261 +c2*e_3_0_4&
80262 +8*e_4_0_4 &
80263 )
80264 e_4_1_4 = zeta*( c1*e_3_0_4 &
80265 +c2*e_4_0_4&
80266
80267 )
80268 e_5_1_4 = zeta*( c1*e_4_0_4 &
80269
80270
80271 )
80272 e_0_2_4 = zeta*( &
80273 +c2*e_0_1_4&
80274 +2*e_1_1_4 &
80275 -2*e_0_0_4)
80276 e_1_2_4 = zeta*( c1*e_0_1_4 &
80277 +c2*e_1_1_4&
80278 +4*e_2_1_4 &
80279 -2*e_1_0_4)
80280 e_2_2_4 = zeta*( c1*e_1_1_4 &
80281 +c2*e_2_1_4&
80282 +6*e_3_1_4 &
80283 -2*e_2_0_4)
80284 e_3_2_4 = zeta*( c1*e_2_1_4 &
80285 +c2*e_3_1_4&
80286 +8*e_4_1_4 &
80287 -2*e_3_0_4)
80288 e_4_2_4 = zeta*( c1*e_3_1_4 &
80289 +c2*e_4_1_4&
80290 +10*e_5_1_4 &
80291 -2*e_4_0_4)
80292 e_5_2_4 = zeta*( c1*e_4_1_4 &
80293 +c2*e_5_1_4&
80294
80295 )
80296 e_6_2_4 = zeta*( c1*e_5_1_4 &
80297
80298
80299 )
80300
80301 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
80302 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
80303 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
80304 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
80305 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
80306 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
80307 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
80308 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
80309 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
80310 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
80311 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
80312 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
80313 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
80314 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
80315 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
80316 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
80317 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
80318 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
80319 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
80320 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
80321 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
80322 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
80323 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
80324 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
80325 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
80326 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
80327 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
80328 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
80329 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
80330 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
80331 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
80332 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
80333 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
80334 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
80335 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
80336 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
80337 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
80338 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
80339 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
80340 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
80341 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
80342 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
80343 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
80344 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
80345 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
80346 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
80347 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
80348 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
80349 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
80350 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
80351 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
80352 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
80353 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
80354 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
80355 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
80356 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
80357 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
80358 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
80359 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
80360 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
80361 r1 = r1 + dr
80362 END DO
80363
80364 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
80365 END SUBROUTINE
80366 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_1_exp_1 ( &
80367 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
80368 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
80369 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
80370 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
80371 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
80372 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
80373 r_pow_t, r_tmp, rr1_delta, rr2_delta
80374
80375 REAL(kind=dp) :: c1, c2, c3
80376 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
80377 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
80378 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
80379 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
80380 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
80381 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
80382 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
80383 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
80384 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
80385 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
80386 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
80387
80388 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
80389
80390 dr = lgth
80391 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
80392
80393 s_r(:, :, :) = 0.0_dp
80394
80395 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
80396
80397 h_to_c_0_0 = sqrt(alpha/pi)
80398
80399 h_to_c_0_1 = 0.0_dp
80400 h_to_c_1_1 = +2*alpha*h_to_c_0_0
80401 h_to_c_0_2 = -1*h_to_c_1_1
80402 h_to_c_1_2 = +2*alpha*h_to_c_0_1
80403 h_to_c_2_2 = +2*alpha*h_to_c_1_1
80404 h_to_c_0_3 = -1*h_to_c_1_2
80405 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
80406 h_to_c_2_3 = +2*alpha*h_to_c_1_2
80407 h_to_c_3_3 = +2*alpha*h_to_c_2_2
80408 h_to_c_0_4 = -1*h_to_c_1_3
80409 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
80410 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
80411 h_to_c_3_4 = +2*alpha*h_to_c_2_3
80412 h_to_c_4_4 = +2*alpha*h_to_c_3_3
80413 h_to_c_0_5 = -1*h_to_c_1_4
80414 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
80415 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
80416 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
80417 h_to_c_4_5 = +2*alpha*h_to_c_3_4
80418 h_to_c_5_5 = +2*alpha*h_to_c_4_4
80419 h_to_c_0_6 = -1*h_to_c_1_5
80420 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
80421 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
80422 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
80423 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
80424 h_to_c_5_6 = +2*alpha*h_to_c_4_5
80425 h_to_c_6_6 = +2*alpha*h_to_c_5_5
80426 h_to_c_0_7 = -1*h_to_c_1_6
80427 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
80428 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
80429 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
80430 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
80431 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
80432 h_to_c_6_7 = +2*alpha*h_to_c_5_6
80433 h_to_c_7_7 = +2*alpha*h_to_c_6_6
80434
80435 exp_drsq = exp(-alpha*dr*dr)
80436 exp_2drsq = exp_drsq*exp_drsq
80437
80438 rr1_delta = (ra - rb)/dr
80439
80440 rr1_l = ceiling(-r_c(1) + rr1_delta)
80441 rr1_r = floor(r_c(1) + rr1_delta)
80442
80443 r1 = rr1_l*dr
80444
80445 alpha_e = zeta*zetb/(zeta + zetb)
80446
80447 DO rr1 = rr1_l, rr1_r
80448 s_r_t_0 = 0.0_dp
80449 s_r_t2_0 = 0.0_dp
80450 s_r_t_1 = 0.0_dp
80451 s_r_t2_1 = 0.0_dp
80452 s_r_t_2 = 0.0_dp
80453 s_r_t2_2 = 0.0_dp
80454 s_r_t_3 = 0.0_dp
80455 s_r_t2_3 = 0.0_dp
80456 s_r_t_4 = 0.0_dp
80457 s_r_t2_4 = 0.0_dp
80458 s_r_t_5 = 0.0_dp
80459 s_r_t2_5 = 0.0_dp
80460 s_r_t_6 = 0.0_dp
80461 s_r_t2_6 = 0.0_dp
80462 s_r_t_7 = 0.0_dp
80463 s_r_t2_7 = 0.0_dp
80464 r_tmp = r_offset + r1*zeta/(zeta + zetb)
80465 rr2_delta = -r_tmp/dr
80466
80467 rr2_l = ceiling(-r_c(2) + rr2_delta)
80468 rr2_r = floor(r_c(2) + rr2_delta)
80469
80470 r = r_tmp + (rr2_l)*dr
80471
80472 exp2_2rdr = exp(-2*alpha*r*dr)
80473 exp2_rsq = exp(-alpha*r*r)
80474
80475 DO rr2 = rr2_l, rr2_r
80476 r_pow_t = 1.0_dp
80477 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
80478 r_pow_t = r_pow_t*r
80479 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
80480 r_pow_t = r_pow_t*r
80481 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
80482 r_pow_t = r_pow_t*r
80483 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
80484 r_pow_t = r_pow_t*r
80485 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
80486 r_pow_t = r_pow_t*r
80487 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
80488 r_pow_t = r_pow_t*r
80489 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
80490 r_pow_t = r_pow_t*r
80491 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
80492
80493 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
80494 exp2_2rdr = exp2_2rdr*exp_2drsq
80495 r = r + dr
80496 END DO
80497
80498 ! C --> H
80499 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
80500 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
80501 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
80502 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
80503 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
80504 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
80505 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
80506 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
80507 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
80508 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
80509 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
80510 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
80511 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
80512 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
80513 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
80514 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
80515 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
80516 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
80517 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
80518 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
80519 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
80520 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
80521 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
80522 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
80523 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
80524 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
80525 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
80526 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
80527 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
80528 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
80529 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
80530 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
80531 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
80532 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
80533 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
80534 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
80535
80536 ! H --> HH
80537 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
80538
80539 c1 = 1.0_dp/(zeta + zetb)
80540 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
80541 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
80542
80543 e_0_1_0 = zeta*( &
80544 +c2*e_0_0_0&
80545
80546 )
80547 e_0_0_1 = zetb*( &
80548 +c3*e_0_0_0&
80549
80550 )
80551 e_1_1_0 = zeta*( c1*e_0_0_0 &
80552
80553
80554 )
80555 e_1_0_1 = zetb*( c1*e_0_0_0 &
80556
80557
80558 )
80559 e_0_2_0 = zeta*( &
80560 +c2*e_0_1_0&
80561 +2*e_1_1_0 &
80562 -2*e_0_0_0)
80563 e_0_1_1 = zetb*( &
80564 +c3*e_0_1_0&
80565 +2*e_1_1_0 &
80566 )
80567 e_1_2_0 = zeta*( c1*e_0_1_0 &
80568 +c2*e_1_1_0&
80569
80570 )
80571 e_1_1_1 = zetb*( c1*e_0_1_0 &
80572 +c3*e_1_1_0&
80573
80574 )
80575 e_2_2_0 = zeta*( c1*e_1_1_0 &
80576
80577
80578 )
80579 e_2_1_1 = zetb*( c1*e_1_1_0 &
80580
80581
80582 )
80583 e_0_2_1 = zetb*( &
80584 +c3*e_0_2_0&
80585 +2*e_1_2_0 &
80586 )
80587 e_1_2_1 = zetb*( c1*e_0_2_0 &
80588 +c3*e_1_2_0&
80589 +4*e_2_2_0 &
80590 )
80591 e_2_2_1 = zetb*( c1*e_1_2_0 &
80592 +c3*e_2_2_0&
80593
80594 )
80595 e_3_2_1 = zetb*( c1*e_2_2_0 &
80596
80597
80598 )
80599 e_0_1_1 = zeta*( &
80600 +c2*e_0_0_1&
80601 +2*e_1_0_1 &
80602 )
80603 e_0_0_2 = zetb*( &
80604 +c3*e_0_0_1&
80605 +2*e_1_0_1 &
80606 -2*e_0_0_0)
80607 e_1_1_1 = zeta*( c1*e_0_0_1 &
80608 +c2*e_1_0_1&
80609
80610 )
80611 e_1_0_2 = zetb*( c1*e_0_0_1 &
80612 +c3*e_1_0_1&
80613
80614 )
80615 e_2_1_1 = zeta*( c1*e_1_0_1 &
80616
80617
80618 )
80619 e_2_0_2 = zetb*( c1*e_1_0_1 &
80620
80621
80622 )
80623 e_0_2_1 = zeta*( &
80624 +c2*e_0_1_1&
80625 +2*e_1_1_1 &
80626 -2*e_0_0_1)
80627 e_0_1_2 = zetb*( &
80628 +c3*e_0_1_1&
80629 +2*e_1_1_1 &
80630 -2*e_0_1_0)
80631 e_1_2_1 = zeta*( c1*e_0_1_1 &
80632 +c2*e_1_1_1&
80633 +4*e_2_1_1 &
80634 -2*e_1_0_1)
80635 e_1_1_2 = zetb*( c1*e_0_1_1 &
80636 +c3*e_1_1_1&
80637 +4*e_2_1_1 &
80638 -2*e_1_1_0)
80639 e_2_2_1 = zeta*( c1*e_1_1_1 &
80640 +c2*e_2_1_1&
80641
80642 )
80643 e_2_1_2 = zetb*( c1*e_1_1_1 &
80644 +c3*e_2_1_1&
80645
80646 )
80647 e_3_2_1 = zeta*( c1*e_2_1_1 &
80648
80649
80650 )
80651 e_3_1_2 = zetb*( c1*e_2_1_1 &
80652
80653
80654 )
80655 e_0_2_2 = zetb*( &
80656 +c3*e_0_2_1&
80657 +2*e_1_2_1 &
80658 -2*e_0_2_0)
80659 e_1_2_2 = zetb*( c1*e_0_2_1 &
80660 +c3*e_1_2_1&
80661 +4*e_2_2_1 &
80662 -2*e_1_2_0)
80663 e_2_2_2 = zetb*( c1*e_1_2_1 &
80664 +c3*e_2_2_1&
80665 +6*e_3_2_1 &
80666 -2*e_2_2_0)
80667 e_3_2_2 = zetb*( c1*e_2_2_1 &
80668 +c3*e_3_2_1&
80669
80670 )
80671 e_4_2_2 = zetb*( c1*e_3_2_1 &
80672
80673
80674 )
80675 e_0_1_2 = zeta*( &
80676 +c2*e_0_0_2&
80677 +2*e_1_0_2 &
80678 )
80679 e_0_0_3 = zetb*( &
80680 +c3*e_0_0_2&
80681 +2*e_1_0_2 &
80682 -4*e_0_0_1)
80683 e_1_1_2 = zeta*( c1*e_0_0_2 &
80684 +c2*e_1_0_2&
80685 +4*e_2_0_2 &
80686 )
80687 e_1_0_3 = zetb*( c1*e_0_0_2 &
80688 +c3*e_1_0_2&
80689 +4*e_2_0_2 &
80690 -4*e_1_0_1)
80691 e_2_1_2 = zeta*( c1*e_1_0_2 &
80692 +c2*e_2_0_2&
80693
80694 )
80695 e_2_0_3 = zetb*( c1*e_1_0_2 &
80696 +c3*e_2_0_2&
80697
80698 )
80699 e_3_1_2 = zeta*( c1*e_2_0_2 &
80700
80701
80702 )
80703 e_3_0_3 = zetb*( c1*e_2_0_2 &
80704
80705
80706 )
80707 e_0_2_2 = zeta*( &
80708 +c2*e_0_1_2&
80709 +2*e_1_1_2 &
80710 -2*e_0_0_2)
80711 e_0_1_3 = zetb*( &
80712 +c3*e_0_1_2&
80713 +2*e_1_1_2 &
80714 -4*e_0_1_1)
80715 e_1_2_2 = zeta*( c1*e_0_1_2 &
80716 +c2*e_1_1_2&
80717 +4*e_2_1_2 &
80718 -2*e_1_0_2)
80719 e_1_1_3 = zetb*( c1*e_0_1_2 &
80720 +c3*e_1_1_2&
80721 +4*e_2_1_2 &
80722 -4*e_1_1_1)
80723 e_2_2_2 = zeta*( c1*e_1_1_2 &
80724 +c2*e_2_1_2&
80725 +6*e_3_1_2 &
80726 -2*e_2_0_2)
80727 e_2_1_3 = zetb*( c1*e_1_1_2 &
80728 +c3*e_2_1_2&
80729 +6*e_3_1_2 &
80730 -4*e_2_1_1)
80731 e_3_2_2 = zeta*( c1*e_2_1_2 &
80732 +c2*e_3_1_2&
80733
80734 )
80735 e_3_1_3 = zetb*( c1*e_2_1_2 &
80736 +c3*e_3_1_2&
80737
80738 )
80739 e_4_2_2 = zeta*( c1*e_3_1_2 &
80740
80741
80742 )
80743 e_4_1_3 = zetb*( c1*e_3_1_2 &
80744
80745
80746 )
80747 e_0_2_3 = zetb*( &
80748 +c3*e_0_2_2&
80749 +2*e_1_2_2 &
80750 -4*e_0_2_1)
80751 e_1_2_3 = zetb*( c1*e_0_2_2 &
80752 +c3*e_1_2_2&
80753 +4*e_2_2_2 &
80754 -4*e_1_2_1)
80755 e_2_2_3 = zetb*( c1*e_1_2_2 &
80756 +c3*e_2_2_2&
80757 +6*e_3_2_2 &
80758 -4*e_2_2_1)
80759 e_3_2_3 = zetb*( c1*e_2_2_2 &
80760 +c3*e_3_2_2&
80761 +8*e_4_2_2 &
80762 -4*e_3_2_1)
80763 e_4_2_3 = zetb*( c1*e_3_2_2 &
80764 +c3*e_4_2_2&
80765
80766 )
80767 e_5_2_3 = zetb*( c1*e_4_2_2 &
80768
80769
80770 )
80771 e_0_1_3 = zeta*( &
80772 +c2*e_0_0_3&
80773 +2*e_1_0_3 &
80774 )
80775 e_0_0_4 = zetb*( &
80776 +c3*e_0_0_3&
80777 +2*e_1_0_3 &
80778 -6*e_0_0_2)
80779 e_1_1_3 = zeta*( c1*e_0_0_3 &
80780 +c2*e_1_0_3&
80781 +4*e_2_0_3 &
80782 )
80783 e_1_0_4 = zetb*( c1*e_0_0_3 &
80784 +c3*e_1_0_3&
80785 +4*e_2_0_3 &
80786 -6*e_1_0_2)
80787 e_2_1_3 = zeta*( c1*e_1_0_3 &
80788 +c2*e_2_0_3&
80789 +6*e_3_0_3 &
80790 )
80791 e_2_0_4 = zetb*( c1*e_1_0_3 &
80792 +c3*e_2_0_3&
80793 +6*e_3_0_3 &
80794 -6*e_2_0_2)
80795 e_3_1_3 = zeta*( c1*e_2_0_3 &
80796 +c2*e_3_0_3&
80797
80798 )
80799 e_3_0_4 = zetb*( c1*e_2_0_3 &
80800 +c3*e_3_0_3&
80801
80802 )
80803 e_4_1_3 = zeta*( c1*e_3_0_3 &
80804
80805
80806 )
80807 e_4_0_4 = zetb*( c1*e_3_0_3 &
80808
80809
80810 )
80811 e_0_2_3 = zeta*( &
80812 +c2*e_0_1_3&
80813 +2*e_1_1_3 &
80814 -2*e_0_0_3)
80815 e_0_1_4 = zetb*( &
80816 +c3*e_0_1_3&
80817 +2*e_1_1_3 &
80818 -6*e_0_1_2)
80819 e_1_2_3 = zeta*( c1*e_0_1_3 &
80820 +c2*e_1_1_3&
80821 +4*e_2_1_3 &
80822 -2*e_1_0_3)
80823 e_1_1_4 = zetb*( c1*e_0_1_3 &
80824 +c3*e_1_1_3&
80825 +4*e_2_1_3 &
80826 -6*e_1_1_2)
80827 e_2_2_3 = zeta*( c1*e_1_1_3 &
80828 +c2*e_2_1_3&
80829 +6*e_3_1_3 &
80830 -2*e_2_0_3)
80831 e_2_1_4 = zetb*( c1*e_1_1_3 &
80832 +c3*e_2_1_3&
80833 +6*e_3_1_3 &
80834 -6*e_2_1_2)
80835 e_3_2_3 = zeta*( c1*e_2_1_3 &
80836 +c2*e_3_1_3&
80837 +8*e_4_1_3 &
80838 -2*e_3_0_3)
80839 e_3_1_4 = zetb*( c1*e_2_1_3 &
80840 +c3*e_3_1_3&
80841 +8*e_4_1_3 &
80842 -6*e_3_1_2)
80843 e_4_2_3 = zeta*( c1*e_3_1_3 &
80844 +c2*e_4_1_3&
80845
80846 )
80847 e_4_1_4 = zetb*( c1*e_3_1_3 &
80848 +c3*e_4_1_3&
80849
80850 )
80851 e_5_2_3 = zeta*( c1*e_4_1_3 &
80852
80853
80854 )
80855 e_5_1_4 = zetb*( c1*e_4_1_3 &
80856
80857
80858 )
80859 e_0_2_4 = zetb*( &
80860 +c3*e_0_2_3&
80861 +2*e_1_2_3 &
80862 -6*e_0_2_2)
80863 e_1_2_4 = zetb*( c1*e_0_2_3 &
80864 +c3*e_1_2_3&
80865 +4*e_2_2_3 &
80866 -6*e_1_2_2)
80867 e_2_2_4 = zetb*( c1*e_1_2_3 &
80868 +c3*e_2_2_3&
80869 +6*e_3_2_3 &
80870 -6*e_2_2_2)
80871 e_3_2_4 = zetb*( c1*e_2_2_3 &
80872 +c3*e_3_2_3&
80873 +8*e_4_2_3 &
80874 -6*e_3_2_2)
80875 e_4_2_4 = zetb*( c1*e_3_2_3 &
80876 +c3*e_4_2_3&
80877 +10*e_5_2_3 &
80878 -6*e_4_2_2)
80879 e_5_2_4 = zetb*( c1*e_4_2_3 &
80880 +c3*e_5_2_3&
80881
80882 )
80883 e_6_2_4 = zetb*( c1*e_5_2_3 &
80884
80885
80886 )
80887 e_0_1_4 = zeta*( &
80888 +c2*e_0_0_4&
80889 +2*e_1_0_4 &
80890 )
80891 e_1_1_4 = zeta*( c1*e_0_0_4 &
80892 +c2*e_1_0_4&
80893 +4*e_2_0_4 &
80894 )
80895 e_2_1_4 = zeta*( c1*e_1_0_4 &
80896 +c2*e_2_0_4&
80897 +6*e_3_0_4 &
80898 )
80899 e_3_1_4 = zeta*( c1*e_2_0_4 &
80900 +c2*e_3_0_4&
80901 +8*e_4_0_4 &
80902 )
80903 e_4_1_4 = zeta*( c1*e_3_0_4 &
80904 +c2*e_4_0_4&
80905
80906 )
80907 e_5_1_4 = zeta*( c1*e_4_0_4 &
80908
80909
80910 )
80911 e_0_2_4 = zeta*( &
80912 +c2*e_0_1_4&
80913 +2*e_1_1_4 &
80914 -2*e_0_0_4)
80915 e_1_2_4 = zeta*( c1*e_0_1_4 &
80916 +c2*e_1_1_4&
80917 +4*e_2_1_4 &
80918 -2*e_1_0_4)
80919 e_2_2_4 = zeta*( c1*e_1_1_4 &
80920 +c2*e_2_1_4&
80921 +6*e_3_1_4 &
80922 -2*e_2_0_4)
80923 e_3_2_4 = zeta*( c1*e_2_1_4 &
80924 +c2*e_3_1_4&
80925 +8*e_4_1_4 &
80926 -2*e_3_0_4)
80927 e_4_2_4 = zeta*( c1*e_3_1_4 &
80928 +c2*e_4_1_4&
80929 +10*e_5_1_4 &
80930 -2*e_4_0_4)
80931 e_5_2_4 = zeta*( c1*e_4_1_4 &
80932 +c2*e_5_1_4&
80933
80934 )
80935 e_6_2_4 = zeta*( c1*e_5_1_4 &
80936
80937
80938 )
80939
80940 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
80941 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
80942 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
80943 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
80944 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
80945 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
80946 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
80947 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
80948 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
80949 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
80950 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
80951 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
80952 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
80953 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
80954 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
80955 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
80956 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
80957 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
80958 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
80959 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
80960 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
80961 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
80962 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
80963 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
80964 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
80965 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
80966 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
80967 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
80968 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
80969 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
80970 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
80971 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
80972 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
80973 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
80974 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
80975 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
80976 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
80977 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
80978 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
80979 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
80980 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
80981 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
80982 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
80983 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
80984 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
80985 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
80986 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
80987 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
80988 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
80989 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
80990 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
80991 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
80992 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
80993 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
80994 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
80995 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
80996 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
80997 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
80998 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
80999 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81000 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
81001 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
81002 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
81003 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
81004 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
81005 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
81006 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
81007 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
81008 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
81009 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
81010 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
81011 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
81012 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
81013 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
81014 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
81015 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
81016 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
81017 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
81018 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
81019 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
81020 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
81021 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
81022 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
81023 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
81024 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
81025 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
81026 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
81027 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
81028 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
81029 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
81030 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
81031 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
81032 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
81033 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
81034 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
81035 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
81036 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
81037 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
81038 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
81039 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
81040 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
81041 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
81042 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
81043 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
81044 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
81045 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
81046 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
81047 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
81048 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
81049 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
81050 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
81051 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
81052 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
81053 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
81054 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
81055 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
81056 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
81057 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
81058 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
81059 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
81060 r1 = r1 + dr
81061 END DO
81062
81063 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
81064 END SUBROUTINE
81065 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_2_exp_1 ( &
81066 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
81067 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
81068 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
81069 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
81070 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
81071 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
81072 r_pow_t, r_tmp, rr1_delta, rr2_delta
81073
81074 REAL(kind=dp) :: c1, c2, c3
81075 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
81076 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
81077 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
81078 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
81079 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
81080 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
81081 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
81082 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
81083 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
81084 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
81085 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
81086 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
81087
81088 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
81089
81090 dr = lgth
81091 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
81092
81093 s_r(:, :, :) = 0.0_dp
81094
81095 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
81096
81097 h_to_c_0_0 = sqrt(alpha/pi)
81098
81099 h_to_c_0_1 = 0.0_dp
81100 h_to_c_1_1 = +2*alpha*h_to_c_0_0
81101 h_to_c_0_2 = -1*h_to_c_1_1
81102 h_to_c_1_2 = +2*alpha*h_to_c_0_1
81103 h_to_c_2_2 = +2*alpha*h_to_c_1_1
81104 h_to_c_0_3 = -1*h_to_c_1_2
81105 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
81106 h_to_c_2_3 = +2*alpha*h_to_c_1_2
81107 h_to_c_3_3 = +2*alpha*h_to_c_2_2
81108 h_to_c_0_4 = -1*h_to_c_1_3
81109 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
81110 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
81111 h_to_c_3_4 = +2*alpha*h_to_c_2_3
81112 h_to_c_4_4 = +2*alpha*h_to_c_3_3
81113 h_to_c_0_5 = -1*h_to_c_1_4
81114 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
81115 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
81116 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
81117 h_to_c_4_5 = +2*alpha*h_to_c_3_4
81118 h_to_c_5_5 = +2*alpha*h_to_c_4_4
81119 h_to_c_0_6 = -1*h_to_c_1_5
81120 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
81121 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
81122 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
81123 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
81124 h_to_c_5_6 = +2*alpha*h_to_c_4_5
81125 h_to_c_6_6 = +2*alpha*h_to_c_5_5
81126 h_to_c_0_7 = -1*h_to_c_1_6
81127 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
81128 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
81129 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
81130 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
81131 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
81132 h_to_c_6_7 = +2*alpha*h_to_c_5_6
81133 h_to_c_7_7 = +2*alpha*h_to_c_6_6
81134 h_to_c_0_8 = -1*h_to_c_1_7
81135 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
81136 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
81137 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
81138 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
81139 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
81140 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
81141 h_to_c_7_8 = +2*alpha*h_to_c_6_7
81142 h_to_c_8_8 = +2*alpha*h_to_c_7_7
81143
81144 exp_drsq = exp(-alpha*dr*dr)
81145 exp_2drsq = exp_drsq*exp_drsq
81146
81147 rr1_delta = (ra - rb)/dr
81148
81149 rr1_l = ceiling(-r_c(1) + rr1_delta)
81150 rr1_r = floor(r_c(1) + rr1_delta)
81151
81152 r1 = rr1_l*dr
81153
81154 alpha_e = zeta*zetb/(zeta + zetb)
81155
81156 DO rr1 = rr1_l, rr1_r
81157 s_r_t_0 = 0.0_dp
81158 s_r_t2_0 = 0.0_dp
81159 s_r_t_1 = 0.0_dp
81160 s_r_t2_1 = 0.0_dp
81161 s_r_t_2 = 0.0_dp
81162 s_r_t2_2 = 0.0_dp
81163 s_r_t_3 = 0.0_dp
81164 s_r_t2_3 = 0.0_dp
81165 s_r_t_4 = 0.0_dp
81166 s_r_t2_4 = 0.0_dp
81167 s_r_t_5 = 0.0_dp
81168 s_r_t2_5 = 0.0_dp
81169 s_r_t_6 = 0.0_dp
81170 s_r_t2_6 = 0.0_dp
81171 s_r_t_7 = 0.0_dp
81172 s_r_t2_7 = 0.0_dp
81173 s_r_t_8 = 0.0_dp
81174 s_r_t2_8 = 0.0_dp
81175 r_tmp = r_offset + r1*zeta/(zeta + zetb)
81176 rr2_delta = -r_tmp/dr
81177
81178 rr2_l = ceiling(-r_c(2) + rr2_delta)
81179 rr2_r = floor(r_c(2) + rr2_delta)
81180
81181 r = r_tmp + (rr2_l)*dr
81182
81183 exp2_2rdr = exp(-2*alpha*r*dr)
81184 exp2_rsq = exp(-alpha*r*r)
81185
81186 DO rr2 = rr2_l, rr2_r
81187 r_pow_t = 1.0_dp
81188 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
81189 r_pow_t = r_pow_t*r
81190 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
81191 r_pow_t = r_pow_t*r
81192 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
81193 r_pow_t = r_pow_t*r
81194 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
81195 r_pow_t = r_pow_t*r
81196 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
81197 r_pow_t = r_pow_t*r
81198 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
81199 r_pow_t = r_pow_t*r
81200 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
81201 r_pow_t = r_pow_t*r
81202 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
81203 r_pow_t = r_pow_t*r
81204 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
81205
81206 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
81207 exp2_2rdr = exp2_2rdr*exp_2drsq
81208 r = r + dr
81209 END DO
81210
81211 ! C --> H
81212 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
81213 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
81214 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
81215 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
81216 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
81217 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
81218 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
81219 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
81220 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
81221 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
81222 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
81223 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
81224 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
81225 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
81226 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
81227 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
81228 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
81229 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
81230 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
81231 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
81232 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
81233 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
81234 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
81235 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
81236 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
81237 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
81238 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
81239 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
81240 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
81241 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
81242 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
81243 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
81244 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
81245 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
81246 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
81247 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
81248 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
81249 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
81250 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
81251 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
81252 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
81253 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
81254 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
81255 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
81256 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
81257
81258 ! H --> HH
81259 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
81260
81261 c1 = 1.0_dp/(zeta + zetb)
81262 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
81263 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
81264
81265 e_0_1_0 = zeta*( &
81266 +c2*e_0_0_0&
81267
81268 )
81269 e_0_0_1 = zetb*( &
81270 +c3*e_0_0_0&
81271
81272 )
81273 e_1_1_0 = zeta*( c1*e_0_0_0 &
81274
81275
81276 )
81277 e_1_0_1 = zetb*( c1*e_0_0_0 &
81278
81279
81280 )
81281 e_0_2_0 = zeta*( &
81282 +c2*e_0_1_0&
81283 +2*e_1_1_0 &
81284 -2*e_0_0_0)
81285 e_0_1_1 = zetb*( &
81286 +c3*e_0_1_0&
81287 +2*e_1_1_0 &
81288 )
81289 e_1_2_0 = zeta*( c1*e_0_1_0 &
81290 +c2*e_1_1_0&
81291
81292 )
81293 e_1_1_1 = zetb*( c1*e_0_1_0 &
81294 +c3*e_1_1_0&
81295
81296 )
81297 e_2_2_0 = zeta*( c1*e_1_1_0 &
81298
81299
81300 )
81301 e_2_1_1 = zetb*( c1*e_1_1_0 &
81302
81303
81304 )
81305 e_0_2_1 = zetb*( &
81306 +c3*e_0_2_0&
81307 +2*e_1_2_0 &
81308 )
81309 e_1_2_1 = zetb*( c1*e_0_2_0 &
81310 +c3*e_1_2_0&
81311 +4*e_2_2_0 &
81312 )
81313 e_2_2_1 = zetb*( c1*e_1_2_0 &
81314 +c3*e_2_2_0&
81315
81316 )
81317 e_3_2_1 = zetb*( c1*e_2_2_0 &
81318
81319
81320 )
81321 e_0_1_1 = zeta*( &
81322 +c2*e_0_0_1&
81323 +2*e_1_0_1 &
81324 )
81325 e_0_0_2 = zetb*( &
81326 +c3*e_0_0_1&
81327 +2*e_1_0_1 &
81328 -2*e_0_0_0)
81329 e_1_1_1 = zeta*( c1*e_0_0_1 &
81330 +c2*e_1_0_1&
81331
81332 )
81333 e_1_0_2 = zetb*( c1*e_0_0_1 &
81334 +c3*e_1_0_1&
81335
81336 )
81337 e_2_1_1 = zeta*( c1*e_1_0_1 &
81338
81339
81340 )
81341 e_2_0_2 = zetb*( c1*e_1_0_1 &
81342
81343
81344 )
81345 e_0_2_1 = zeta*( &
81346 +c2*e_0_1_1&
81347 +2*e_1_1_1 &
81348 -2*e_0_0_1)
81349 e_0_1_2 = zetb*( &
81350 +c3*e_0_1_1&
81351 +2*e_1_1_1 &
81352 -2*e_0_1_0)
81353 e_1_2_1 = zeta*( c1*e_0_1_1 &
81354 +c2*e_1_1_1&
81355 +4*e_2_1_1 &
81356 -2*e_1_0_1)
81357 e_1_1_2 = zetb*( c1*e_0_1_1 &
81358 +c3*e_1_1_1&
81359 +4*e_2_1_1 &
81360 -2*e_1_1_0)
81361 e_2_2_1 = zeta*( c1*e_1_1_1 &
81362 +c2*e_2_1_1&
81363
81364 )
81365 e_2_1_2 = zetb*( c1*e_1_1_1 &
81366 +c3*e_2_1_1&
81367
81368 )
81369 e_3_2_1 = zeta*( c1*e_2_1_1 &
81370
81371
81372 )
81373 e_3_1_2 = zetb*( c1*e_2_1_1 &
81374
81375
81376 )
81377 e_0_2_2 = zetb*( &
81378 +c3*e_0_2_1&
81379 +2*e_1_2_1 &
81380 -2*e_0_2_0)
81381 e_1_2_2 = zetb*( c1*e_0_2_1 &
81382 +c3*e_1_2_1&
81383 +4*e_2_2_1 &
81384 -2*e_1_2_0)
81385 e_2_2_2 = zetb*( c1*e_1_2_1 &
81386 +c3*e_2_2_1&
81387 +6*e_3_2_1 &
81388 -2*e_2_2_0)
81389 e_3_2_2 = zetb*( c1*e_2_2_1 &
81390 +c3*e_3_2_1&
81391
81392 )
81393 e_4_2_2 = zetb*( c1*e_3_2_1 &
81394
81395
81396 )
81397 e_0_1_2 = zeta*( &
81398 +c2*e_0_0_2&
81399 +2*e_1_0_2 &
81400 )
81401 e_0_0_3 = zetb*( &
81402 +c3*e_0_0_2&
81403 +2*e_1_0_2 &
81404 -4*e_0_0_1)
81405 e_1_1_2 = zeta*( c1*e_0_0_2 &
81406 +c2*e_1_0_2&
81407 +4*e_2_0_2 &
81408 )
81409 e_1_0_3 = zetb*( c1*e_0_0_2 &
81410 +c3*e_1_0_2&
81411 +4*e_2_0_2 &
81412 -4*e_1_0_1)
81413 e_2_1_2 = zeta*( c1*e_1_0_2 &
81414 +c2*e_2_0_2&
81415
81416 )
81417 e_2_0_3 = zetb*( c1*e_1_0_2 &
81418 +c3*e_2_0_2&
81419
81420 )
81421 e_3_1_2 = zeta*( c1*e_2_0_2 &
81422
81423
81424 )
81425 e_3_0_3 = zetb*( c1*e_2_0_2 &
81426
81427
81428 )
81429 e_0_2_2 = zeta*( &
81430 +c2*e_0_1_2&
81431 +2*e_1_1_2 &
81432 -2*e_0_0_2)
81433 e_0_1_3 = zetb*( &
81434 +c3*e_0_1_2&
81435 +2*e_1_1_2 &
81436 -4*e_0_1_1)
81437 e_1_2_2 = zeta*( c1*e_0_1_2 &
81438 +c2*e_1_1_2&
81439 +4*e_2_1_2 &
81440 -2*e_1_0_2)
81441 e_1_1_3 = zetb*( c1*e_0_1_2 &
81442 +c3*e_1_1_2&
81443 +4*e_2_1_2 &
81444 -4*e_1_1_1)
81445 e_2_2_2 = zeta*( c1*e_1_1_2 &
81446 +c2*e_2_1_2&
81447 +6*e_3_1_2 &
81448 -2*e_2_0_2)
81449 e_2_1_3 = zetb*( c1*e_1_1_2 &
81450 +c3*e_2_1_2&
81451 +6*e_3_1_2 &
81452 -4*e_2_1_1)
81453 e_3_2_2 = zeta*( c1*e_2_1_2 &
81454 +c2*e_3_1_2&
81455
81456 )
81457 e_3_1_3 = zetb*( c1*e_2_1_2 &
81458 +c3*e_3_1_2&
81459
81460 )
81461 e_4_2_2 = zeta*( c1*e_3_1_2 &
81462
81463
81464 )
81465 e_4_1_3 = zetb*( c1*e_3_1_2 &
81466
81467
81468 )
81469 e_0_2_3 = zetb*( &
81470 +c3*e_0_2_2&
81471 +2*e_1_2_2 &
81472 -4*e_0_2_1)
81473 e_1_2_3 = zetb*( c1*e_0_2_2 &
81474 +c3*e_1_2_2&
81475 +4*e_2_2_2 &
81476 -4*e_1_2_1)
81477 e_2_2_3 = zetb*( c1*e_1_2_2 &
81478 +c3*e_2_2_2&
81479 +6*e_3_2_2 &
81480 -4*e_2_2_1)
81481 e_3_2_3 = zetb*( c1*e_2_2_2 &
81482 +c3*e_3_2_2&
81483 +8*e_4_2_2 &
81484 -4*e_3_2_1)
81485 e_4_2_3 = zetb*( c1*e_3_2_2 &
81486 +c3*e_4_2_2&
81487
81488 )
81489 e_5_2_3 = zetb*( c1*e_4_2_2 &
81490
81491
81492 )
81493 e_0_1_3 = zeta*( &
81494 +c2*e_0_0_3&
81495 +2*e_1_0_3 &
81496 )
81497 e_0_0_4 = zetb*( &
81498 +c3*e_0_0_3&
81499 +2*e_1_0_3 &
81500 -6*e_0_0_2)
81501 e_1_1_3 = zeta*( c1*e_0_0_3 &
81502 +c2*e_1_0_3&
81503 +4*e_2_0_3 &
81504 )
81505 e_1_0_4 = zetb*( c1*e_0_0_3 &
81506 +c3*e_1_0_3&
81507 +4*e_2_0_3 &
81508 -6*e_1_0_2)
81509 e_2_1_3 = zeta*( c1*e_1_0_3 &
81510 +c2*e_2_0_3&
81511 +6*e_3_0_3 &
81512 )
81513 e_2_0_4 = zetb*( c1*e_1_0_3 &
81514 +c3*e_2_0_3&
81515 +6*e_3_0_3 &
81516 -6*e_2_0_2)
81517 e_3_1_3 = zeta*( c1*e_2_0_3 &
81518 +c2*e_3_0_3&
81519
81520 )
81521 e_3_0_4 = zetb*( c1*e_2_0_3 &
81522 +c3*e_3_0_3&
81523
81524 )
81525 e_4_1_3 = zeta*( c1*e_3_0_3 &
81526
81527
81528 )
81529 e_4_0_4 = zetb*( c1*e_3_0_3 &
81530
81531
81532 )
81533 e_0_2_3 = zeta*( &
81534 +c2*e_0_1_3&
81535 +2*e_1_1_3 &
81536 -2*e_0_0_3)
81537 e_0_1_4 = zetb*( &
81538 +c3*e_0_1_3&
81539 +2*e_1_1_3 &
81540 -6*e_0_1_2)
81541 e_1_2_3 = zeta*( c1*e_0_1_3 &
81542 +c2*e_1_1_3&
81543 +4*e_2_1_3 &
81544 -2*e_1_0_3)
81545 e_1_1_4 = zetb*( c1*e_0_1_3 &
81546 +c3*e_1_1_3&
81547 +4*e_2_1_3 &
81548 -6*e_1_1_2)
81549 e_2_2_3 = zeta*( c1*e_1_1_3 &
81550 +c2*e_2_1_3&
81551 +6*e_3_1_3 &
81552 -2*e_2_0_3)
81553 e_2_1_4 = zetb*( c1*e_1_1_3 &
81554 +c3*e_2_1_3&
81555 +6*e_3_1_3 &
81556 -6*e_2_1_2)
81557 e_3_2_3 = zeta*( c1*e_2_1_3 &
81558 +c2*e_3_1_3&
81559 +8*e_4_1_3 &
81560 -2*e_3_0_3)
81561 e_3_1_4 = zetb*( c1*e_2_1_3 &
81562 +c3*e_3_1_3&
81563 +8*e_4_1_3 &
81564 -6*e_3_1_2)
81565 e_4_2_3 = zeta*( c1*e_3_1_3 &
81566 +c2*e_4_1_3&
81567
81568 )
81569 e_4_1_4 = zetb*( c1*e_3_1_3 &
81570 +c3*e_4_1_3&
81571
81572 )
81573 e_5_2_3 = zeta*( c1*e_4_1_3 &
81574
81575
81576 )
81577 e_5_1_4 = zetb*( c1*e_4_1_3 &
81578
81579
81580 )
81581 e_0_2_4 = zetb*( &
81582 +c3*e_0_2_3&
81583 +2*e_1_2_3 &
81584 -6*e_0_2_2)
81585 e_1_2_4 = zetb*( c1*e_0_2_3 &
81586 +c3*e_1_2_3&
81587 +4*e_2_2_3 &
81588 -6*e_1_2_2)
81589 e_2_2_4 = zetb*( c1*e_1_2_3 &
81590 +c3*e_2_2_3&
81591 +6*e_3_2_3 &
81592 -6*e_2_2_2)
81593 e_3_2_4 = zetb*( c1*e_2_2_3 &
81594 +c3*e_3_2_3&
81595 +8*e_4_2_3 &
81596 -6*e_3_2_2)
81597 e_4_2_4 = zetb*( c1*e_3_2_3 &
81598 +c3*e_4_2_3&
81599 +10*e_5_2_3 &
81600 -6*e_4_2_2)
81601 e_5_2_4 = zetb*( c1*e_4_2_3 &
81602 +c3*e_5_2_3&
81603
81604 )
81605 e_6_2_4 = zetb*( c1*e_5_2_3 &
81606
81607
81608 )
81609 e_0_1_4 = zeta*( &
81610 +c2*e_0_0_4&
81611 +2*e_1_0_4 &
81612 )
81613 e_1_1_4 = zeta*( c1*e_0_0_4 &
81614 +c2*e_1_0_4&
81615 +4*e_2_0_4 &
81616 )
81617 e_2_1_4 = zeta*( c1*e_1_0_4 &
81618 +c2*e_2_0_4&
81619 +6*e_3_0_4 &
81620 )
81621 e_3_1_4 = zeta*( c1*e_2_0_4 &
81622 +c2*e_3_0_4&
81623 +8*e_4_0_4 &
81624 )
81625 e_4_1_4 = zeta*( c1*e_3_0_4 &
81626 +c2*e_4_0_4&
81627
81628 )
81629 e_5_1_4 = zeta*( c1*e_4_0_4 &
81630
81631
81632 )
81633 e_0_2_4 = zeta*( &
81634 +c2*e_0_1_4&
81635 +2*e_1_1_4 &
81636 -2*e_0_0_4)
81637 e_1_2_4 = zeta*( c1*e_0_1_4 &
81638 +c2*e_1_1_4&
81639 +4*e_2_1_4 &
81640 -2*e_1_0_4)
81641 e_2_2_4 = zeta*( c1*e_1_1_4 &
81642 +c2*e_2_1_4&
81643 +6*e_3_1_4 &
81644 -2*e_2_0_4)
81645 e_3_2_4 = zeta*( c1*e_2_1_4 &
81646 +c2*e_3_1_4&
81647 +8*e_4_1_4 &
81648 -2*e_3_0_4)
81649 e_4_2_4 = zeta*( c1*e_3_1_4 &
81650 +c2*e_4_1_4&
81651 +10*e_5_1_4 &
81652 -2*e_4_0_4)
81653 e_5_2_4 = zeta*( c1*e_4_1_4 &
81654 +c2*e_5_1_4&
81655
81656 )
81657 e_6_2_4 = zeta*( c1*e_5_1_4 &
81658
81659
81660 )
81661
81662 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
81663 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
81664 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
81665 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
81666 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
81667 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
81668 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
81669 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
81670 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
81671 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
81672 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
81673 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
81674 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
81675 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
81676 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
81677 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
81678 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
81679 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
81680 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
81681 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
81682 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
81683 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
81684 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
81685 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
81686 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
81687 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
81688 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
81689 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
81690 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
81691 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
81692 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
81693 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
81694 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
81695 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
81696 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
81697 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
81698 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
81699 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
81700 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
81701 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
81702 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
81703 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
81704 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
81705 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
81706 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
81707 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
81708 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
81709 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
81710 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
81711 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
81712 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
81713 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
81714 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
81715 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
81716 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
81717 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
81718 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
81719 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
81720 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
81721 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81722 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
81723 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
81724 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
81725 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
81726 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
81727 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
81728 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
81729 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
81730 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
81731 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
81732 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
81733 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
81734 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
81735 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
81736 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
81737 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
81738 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
81739 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
81740 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
81741 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
81742 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
81743 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
81744 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
81745 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
81746 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
81747 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
81748 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
81749 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
81750 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
81751 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
81752 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
81753 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
81754 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
81755 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
81756 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
81757 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
81758 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
81759 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
81760 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
81761 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
81762 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
81763 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
81764 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
81765 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
81766 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
81767 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
81768 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
81769 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
81770 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
81771 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
81772 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
81773 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
81774 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
81775 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
81776 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
81777 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
81778 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
81779 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
81780 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
81781 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
81782 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
81783 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
81784 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
81785 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
81786 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
81787 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
81788 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
81789 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
81790 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
81791 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
81792 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
81793 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
81794 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
81795 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
81796 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
81797 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
81798 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
81799 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
81800 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
81801 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
81802 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
81803 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
81804 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
81805 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
81806 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
81807 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
81808 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
81809 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
81810 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
81811 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
81812 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
81813 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
81814 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
81815 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
81816 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
81817 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
81818 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
81819 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
81820 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
81821 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
81822 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
81823 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
81824 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
81825 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
81826 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
81827 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
81828 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
81829 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
81830 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
81831 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
81832 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
81833 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
81834 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
81835 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
81836 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
81837 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
81838 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
81839 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81840 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
81841 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
81842 r1 = r1 + dr
81843 END DO
81844
81845 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
81846 END SUBROUTINE
81847 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_3_exp_1 ( &
81848 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
81849 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
81850 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
81851 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
81852 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
81853 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
81854 r_pow_t, r_tmp, rr1_delta, rr2_delta
81855
81856 REAL(kind=dp) :: c1, c2, c3
81857 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
81858 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
81859 & s_r_t2_9
81860 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
81861 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
81862 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
81863 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
81864 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
81865 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
81866 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
81867 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
81868 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
81869 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
81870 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
81871
81872 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
81873
81874 dr = lgth
81875 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
81876
81877 s_r(:, :, :) = 0.0_dp
81878
81879 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
81880
81881 h_to_c_0_0 = sqrt(alpha/pi)
81882
81883 h_to_c_0_1 = 0.0_dp
81884 h_to_c_1_1 = +2*alpha*h_to_c_0_0
81885 h_to_c_0_2 = -1*h_to_c_1_1
81886 h_to_c_1_2 = +2*alpha*h_to_c_0_1
81887 h_to_c_2_2 = +2*alpha*h_to_c_1_1
81888 h_to_c_0_3 = -1*h_to_c_1_2
81889 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
81890 h_to_c_2_3 = +2*alpha*h_to_c_1_2
81891 h_to_c_3_3 = +2*alpha*h_to_c_2_2
81892 h_to_c_0_4 = -1*h_to_c_1_3
81893 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
81894 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
81895 h_to_c_3_4 = +2*alpha*h_to_c_2_3
81896 h_to_c_4_4 = +2*alpha*h_to_c_3_3
81897 h_to_c_0_5 = -1*h_to_c_1_4
81898 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
81899 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
81900 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
81901 h_to_c_4_5 = +2*alpha*h_to_c_3_4
81902 h_to_c_5_5 = +2*alpha*h_to_c_4_4
81903 h_to_c_0_6 = -1*h_to_c_1_5
81904 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
81905 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
81906 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
81907 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
81908 h_to_c_5_6 = +2*alpha*h_to_c_4_5
81909 h_to_c_6_6 = +2*alpha*h_to_c_5_5
81910 h_to_c_0_7 = -1*h_to_c_1_6
81911 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
81912 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
81913 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
81914 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
81915 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
81916 h_to_c_6_7 = +2*alpha*h_to_c_5_6
81917 h_to_c_7_7 = +2*alpha*h_to_c_6_6
81918 h_to_c_0_8 = -1*h_to_c_1_7
81919 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
81920 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
81921 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
81922 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
81923 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
81924 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
81925 h_to_c_7_8 = +2*alpha*h_to_c_6_7
81926 h_to_c_8_8 = +2*alpha*h_to_c_7_7
81927 h_to_c_0_9 = -1*h_to_c_1_8
81928 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
81929 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
81930 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
81931 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
81932 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
81933 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
81934 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
81935 h_to_c_8_9 = +2*alpha*h_to_c_7_8
81936 h_to_c_9_9 = +2*alpha*h_to_c_8_8
81937
81938 exp_drsq = exp(-alpha*dr*dr)
81939 exp_2drsq = exp_drsq*exp_drsq
81940
81941 rr1_delta = (ra - rb)/dr
81942
81943 rr1_l = ceiling(-r_c(1) + rr1_delta)
81944 rr1_r = floor(r_c(1) + rr1_delta)
81945
81946 r1 = rr1_l*dr
81947
81948 alpha_e = zeta*zetb/(zeta + zetb)
81949
81950 DO rr1 = rr1_l, rr1_r
81951 s_r_t_0 = 0.0_dp
81952 s_r_t2_0 = 0.0_dp
81953 s_r_t_1 = 0.0_dp
81954 s_r_t2_1 = 0.0_dp
81955 s_r_t_2 = 0.0_dp
81956 s_r_t2_2 = 0.0_dp
81957 s_r_t_3 = 0.0_dp
81958 s_r_t2_3 = 0.0_dp
81959 s_r_t_4 = 0.0_dp
81960 s_r_t2_4 = 0.0_dp
81961 s_r_t_5 = 0.0_dp
81962 s_r_t2_5 = 0.0_dp
81963 s_r_t_6 = 0.0_dp
81964 s_r_t2_6 = 0.0_dp
81965 s_r_t_7 = 0.0_dp
81966 s_r_t2_7 = 0.0_dp
81967 s_r_t_8 = 0.0_dp
81968 s_r_t2_8 = 0.0_dp
81969 s_r_t_9 = 0.0_dp
81970 s_r_t2_9 = 0.0_dp
81971 r_tmp = r_offset + r1*zeta/(zeta + zetb)
81972 rr2_delta = -r_tmp/dr
81973
81974 rr2_l = ceiling(-r_c(2) + rr2_delta)
81975 rr2_r = floor(r_c(2) + rr2_delta)
81976
81977 r = r_tmp + (rr2_l)*dr
81978
81979 exp2_2rdr = exp(-2*alpha*r*dr)
81980 exp2_rsq = exp(-alpha*r*r)
81981
81982 DO rr2 = rr2_l, rr2_r
81983 r_pow_t = 1.0_dp
81984 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
81985 r_pow_t = r_pow_t*r
81986 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
81987 r_pow_t = r_pow_t*r
81988 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
81989 r_pow_t = r_pow_t*r
81990 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
81991 r_pow_t = r_pow_t*r
81992 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
81993 r_pow_t = r_pow_t*r
81994 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
81995 r_pow_t = r_pow_t*r
81996 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
81997 r_pow_t = r_pow_t*r
81998 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
81999 r_pow_t = r_pow_t*r
82000 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
82001 r_pow_t = r_pow_t*r
82002 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
82003
82004 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
82005 exp2_2rdr = exp2_2rdr*exp_2drsq
82006 r = r + dr
82007 END DO
82008
82009 ! C --> H
82010 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
82011 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
82012 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
82013 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
82014 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
82015 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
82016 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
82017 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
82018 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
82019 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
82020 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
82021 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
82022 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
82023 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
82024 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
82025 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
82026 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
82027 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
82028 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
82029 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
82030 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
82031 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
82032 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
82033 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
82034 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
82035 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
82036 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
82037 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
82038 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
82039 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
82040 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
82041 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
82042 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
82043 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
82044 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
82045 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
82046 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
82047 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
82048 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
82049 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
82050 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
82051 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
82052 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
82053 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
82054 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
82055 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
82056 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
82057 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
82058 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
82059 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
82060 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
82061 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
82062 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
82063 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
82064 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
82065
82066 ! H --> HH
82067 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
82068
82069 c1 = 1.0_dp/(zeta + zetb)
82070 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
82071 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
82072
82073 e_0_1_0 = zeta*( &
82074 +c2*e_0_0_0&
82075
82076 )
82077 e_0_0_1 = zetb*( &
82078 +c3*e_0_0_0&
82079
82080 )
82081 e_1_1_0 = zeta*( c1*e_0_0_0 &
82082
82083
82084 )
82085 e_1_0_1 = zetb*( c1*e_0_0_0 &
82086
82087
82088 )
82089 e_0_2_0 = zeta*( &
82090 +c2*e_0_1_0&
82091 +2*e_1_1_0 &
82092 -2*e_0_0_0)
82093 e_0_1_1 = zetb*( &
82094 +c3*e_0_1_0&
82095 +2*e_1_1_0 &
82096 )
82097 e_1_2_0 = zeta*( c1*e_0_1_0 &
82098 +c2*e_1_1_0&
82099
82100 )
82101 e_1_1_1 = zetb*( c1*e_0_1_0 &
82102 +c3*e_1_1_0&
82103
82104 )
82105 e_2_2_0 = zeta*( c1*e_1_1_0 &
82106
82107
82108 )
82109 e_2_1_1 = zetb*( c1*e_1_1_0 &
82110
82111
82112 )
82113 e_0_2_1 = zetb*( &
82114 +c3*e_0_2_0&
82115 +2*e_1_2_0 &
82116 )
82117 e_1_2_1 = zetb*( c1*e_0_2_0 &
82118 +c3*e_1_2_0&
82119 +4*e_2_2_0 &
82120 )
82121 e_2_2_1 = zetb*( c1*e_1_2_0 &
82122 +c3*e_2_2_0&
82123
82124 )
82125 e_3_2_1 = zetb*( c1*e_2_2_0 &
82126
82127
82128 )
82129 e_0_1_1 = zeta*( &
82130 +c2*e_0_0_1&
82131 +2*e_1_0_1 &
82132 )
82133 e_0_0_2 = zetb*( &
82134 +c3*e_0_0_1&
82135 +2*e_1_0_1 &
82136 -2*e_0_0_0)
82137 e_1_1_1 = zeta*( c1*e_0_0_1 &
82138 +c2*e_1_0_1&
82139
82140 )
82141 e_1_0_2 = zetb*( c1*e_0_0_1 &
82142 +c3*e_1_0_1&
82143
82144 )
82145 e_2_1_1 = zeta*( c1*e_1_0_1 &
82146
82147
82148 )
82149 e_2_0_2 = zetb*( c1*e_1_0_1 &
82150
82151
82152 )
82153 e_0_2_1 = zeta*( &
82154 +c2*e_0_1_1&
82155 +2*e_1_1_1 &
82156 -2*e_0_0_1)
82157 e_0_1_2 = zetb*( &
82158 +c3*e_0_1_1&
82159 +2*e_1_1_1 &
82160 -2*e_0_1_0)
82161 e_1_2_1 = zeta*( c1*e_0_1_1 &
82162 +c2*e_1_1_1&
82163 +4*e_2_1_1 &
82164 -2*e_1_0_1)
82165 e_1_1_2 = zetb*( c1*e_0_1_1 &
82166 +c3*e_1_1_1&
82167 +4*e_2_1_1 &
82168 -2*e_1_1_0)
82169 e_2_2_1 = zeta*( c1*e_1_1_1 &
82170 +c2*e_2_1_1&
82171
82172 )
82173 e_2_1_2 = zetb*( c1*e_1_1_1 &
82174 +c3*e_2_1_1&
82175
82176 )
82177 e_3_2_1 = zeta*( c1*e_2_1_1 &
82178
82179
82180 )
82181 e_3_1_2 = zetb*( c1*e_2_1_1 &
82182
82183
82184 )
82185 e_0_2_2 = zetb*( &
82186 +c3*e_0_2_1&
82187 +2*e_1_2_1 &
82188 -2*e_0_2_0)
82189 e_1_2_2 = zetb*( c1*e_0_2_1 &
82190 +c3*e_1_2_1&
82191 +4*e_2_2_1 &
82192 -2*e_1_2_0)
82193 e_2_2_2 = zetb*( c1*e_1_2_1 &
82194 +c3*e_2_2_1&
82195 +6*e_3_2_1 &
82196 -2*e_2_2_0)
82197 e_3_2_2 = zetb*( c1*e_2_2_1 &
82198 +c3*e_3_2_1&
82199
82200 )
82201 e_4_2_2 = zetb*( c1*e_3_2_1 &
82202
82203
82204 )
82205 e_0_1_2 = zeta*( &
82206 +c2*e_0_0_2&
82207 +2*e_1_0_2 &
82208 )
82209 e_0_0_3 = zetb*( &
82210 +c3*e_0_0_2&
82211 +2*e_1_0_2 &
82212 -4*e_0_0_1)
82213 e_1_1_2 = zeta*( c1*e_0_0_2 &
82214 +c2*e_1_0_2&
82215 +4*e_2_0_2 &
82216 )
82217 e_1_0_3 = zetb*( c1*e_0_0_2 &
82218 +c3*e_1_0_2&
82219 +4*e_2_0_2 &
82220 -4*e_1_0_1)
82221 e_2_1_2 = zeta*( c1*e_1_0_2 &
82222 +c2*e_2_0_2&
82223
82224 )
82225 e_2_0_3 = zetb*( c1*e_1_0_2 &
82226 +c3*e_2_0_2&
82227
82228 )
82229 e_3_1_2 = zeta*( c1*e_2_0_2 &
82230
82231
82232 )
82233 e_3_0_3 = zetb*( c1*e_2_0_2 &
82234
82235
82236 )
82237 e_0_2_2 = zeta*( &
82238 +c2*e_0_1_2&
82239 +2*e_1_1_2 &
82240 -2*e_0_0_2)
82241 e_0_1_3 = zetb*( &
82242 +c3*e_0_1_2&
82243 +2*e_1_1_2 &
82244 -4*e_0_1_1)
82245 e_1_2_2 = zeta*( c1*e_0_1_2 &
82246 +c2*e_1_1_2&
82247 +4*e_2_1_2 &
82248 -2*e_1_0_2)
82249 e_1_1_3 = zetb*( c1*e_0_1_2 &
82250 +c3*e_1_1_2&
82251 +4*e_2_1_2 &
82252 -4*e_1_1_1)
82253 e_2_2_2 = zeta*( c1*e_1_1_2 &
82254 +c2*e_2_1_2&
82255 +6*e_3_1_2 &
82256 -2*e_2_0_2)
82257 e_2_1_3 = zetb*( c1*e_1_1_2 &
82258 +c3*e_2_1_2&
82259 +6*e_3_1_2 &
82260 -4*e_2_1_1)
82261 e_3_2_2 = zeta*( c1*e_2_1_2 &
82262 +c2*e_3_1_2&
82263
82264 )
82265 e_3_1_3 = zetb*( c1*e_2_1_2 &
82266 +c3*e_3_1_2&
82267
82268 )
82269 e_4_2_2 = zeta*( c1*e_3_1_2 &
82270
82271
82272 )
82273 e_4_1_3 = zetb*( c1*e_3_1_2 &
82274
82275
82276 )
82277 e_0_2_3 = zetb*( &
82278 +c3*e_0_2_2&
82279 +2*e_1_2_2 &
82280 -4*e_0_2_1)
82281 e_1_2_3 = zetb*( c1*e_0_2_2 &
82282 +c3*e_1_2_2&
82283 +4*e_2_2_2 &
82284 -4*e_1_2_1)
82285 e_2_2_3 = zetb*( c1*e_1_2_2 &
82286 +c3*e_2_2_2&
82287 +6*e_3_2_2 &
82288 -4*e_2_2_1)
82289 e_3_2_3 = zetb*( c1*e_2_2_2 &
82290 +c3*e_3_2_2&
82291 +8*e_4_2_2 &
82292 -4*e_3_2_1)
82293 e_4_2_3 = zetb*( c1*e_3_2_2 &
82294 +c3*e_4_2_2&
82295
82296 )
82297 e_5_2_3 = zetb*( c1*e_4_2_2 &
82298
82299
82300 )
82301 e_0_1_3 = zeta*( &
82302 +c2*e_0_0_3&
82303 +2*e_1_0_3 &
82304 )
82305 e_0_0_4 = zetb*( &
82306 +c3*e_0_0_3&
82307 +2*e_1_0_3 &
82308 -6*e_0_0_2)
82309 e_1_1_3 = zeta*( c1*e_0_0_3 &
82310 +c2*e_1_0_3&
82311 +4*e_2_0_3 &
82312 )
82313 e_1_0_4 = zetb*( c1*e_0_0_3 &
82314 +c3*e_1_0_3&
82315 +4*e_2_0_3 &
82316 -6*e_1_0_2)
82317 e_2_1_3 = zeta*( c1*e_1_0_3 &
82318 +c2*e_2_0_3&
82319 +6*e_3_0_3 &
82320 )
82321 e_2_0_4 = zetb*( c1*e_1_0_3 &
82322 +c3*e_2_0_3&
82323 +6*e_3_0_3 &
82324 -6*e_2_0_2)
82325 e_3_1_3 = zeta*( c1*e_2_0_3 &
82326 +c2*e_3_0_3&
82327
82328 )
82329 e_3_0_4 = zetb*( c1*e_2_0_3 &
82330 +c3*e_3_0_3&
82331
82332 )
82333 e_4_1_3 = zeta*( c1*e_3_0_3 &
82334
82335
82336 )
82337 e_4_0_4 = zetb*( c1*e_3_0_3 &
82338
82339
82340 )
82341 e_0_2_3 = zeta*( &
82342 +c2*e_0_1_3&
82343 +2*e_1_1_3 &
82344 -2*e_0_0_3)
82345 e_0_1_4 = zetb*( &
82346 +c3*e_0_1_3&
82347 +2*e_1_1_3 &
82348 -6*e_0_1_2)
82349 e_1_2_3 = zeta*( c1*e_0_1_3 &
82350 +c2*e_1_1_3&
82351 +4*e_2_1_3 &
82352 -2*e_1_0_3)
82353 e_1_1_4 = zetb*( c1*e_0_1_3 &
82354 +c3*e_1_1_3&
82355 +4*e_2_1_3 &
82356 -6*e_1_1_2)
82357 e_2_2_3 = zeta*( c1*e_1_1_3 &
82358 +c2*e_2_1_3&
82359 +6*e_3_1_3 &
82360 -2*e_2_0_3)
82361 e_2_1_4 = zetb*( c1*e_1_1_3 &
82362 +c3*e_2_1_3&
82363 +6*e_3_1_3 &
82364 -6*e_2_1_2)
82365 e_3_2_3 = zeta*( c1*e_2_1_3 &
82366 +c2*e_3_1_3&
82367 +8*e_4_1_3 &
82368 -2*e_3_0_3)
82369 e_3_1_4 = zetb*( c1*e_2_1_3 &
82370 +c3*e_3_1_3&
82371 +8*e_4_1_3 &
82372 -6*e_3_1_2)
82373 e_4_2_3 = zeta*( c1*e_3_1_3 &
82374 +c2*e_4_1_3&
82375
82376 )
82377 e_4_1_4 = zetb*( c1*e_3_1_3 &
82378 +c3*e_4_1_3&
82379
82380 )
82381 e_5_2_3 = zeta*( c1*e_4_1_3 &
82382
82383
82384 )
82385 e_5_1_4 = zetb*( c1*e_4_1_3 &
82386
82387
82388 )
82389 e_0_2_4 = zetb*( &
82390 +c3*e_0_2_3&
82391 +2*e_1_2_3 &
82392 -6*e_0_2_2)
82393 e_1_2_4 = zetb*( c1*e_0_2_3 &
82394 +c3*e_1_2_3&
82395 +4*e_2_2_3 &
82396 -6*e_1_2_2)
82397 e_2_2_4 = zetb*( c1*e_1_2_3 &
82398 +c3*e_2_2_3&
82399 +6*e_3_2_3 &
82400 -6*e_2_2_2)
82401 e_3_2_4 = zetb*( c1*e_2_2_3 &
82402 +c3*e_3_2_3&
82403 +8*e_4_2_3 &
82404 -6*e_3_2_2)
82405 e_4_2_4 = zetb*( c1*e_3_2_3 &
82406 +c3*e_4_2_3&
82407 +10*e_5_2_3 &
82408 -6*e_4_2_2)
82409 e_5_2_4 = zetb*( c1*e_4_2_3 &
82410 +c3*e_5_2_3&
82411
82412 )
82413 e_6_2_4 = zetb*( c1*e_5_2_3 &
82414
82415
82416 )
82417 e_0_1_4 = zeta*( &
82418 +c2*e_0_0_4&
82419 +2*e_1_0_4 &
82420 )
82421 e_1_1_4 = zeta*( c1*e_0_0_4 &
82422 +c2*e_1_0_4&
82423 +4*e_2_0_4 &
82424 )
82425 e_2_1_4 = zeta*( c1*e_1_0_4 &
82426 +c2*e_2_0_4&
82427 +6*e_3_0_4 &
82428 )
82429 e_3_1_4 = zeta*( c1*e_2_0_4 &
82430 +c2*e_3_0_4&
82431 +8*e_4_0_4 &
82432 )
82433 e_4_1_4 = zeta*( c1*e_3_0_4 &
82434 +c2*e_4_0_4&
82435
82436 )
82437 e_5_1_4 = zeta*( c1*e_4_0_4 &
82438
82439
82440 )
82441 e_0_2_4 = zeta*( &
82442 +c2*e_0_1_4&
82443 +2*e_1_1_4 &
82444 -2*e_0_0_4)
82445 e_1_2_4 = zeta*( c1*e_0_1_4 &
82446 +c2*e_1_1_4&
82447 +4*e_2_1_4 &
82448 -2*e_1_0_4)
82449 e_2_2_4 = zeta*( c1*e_1_1_4 &
82450 +c2*e_2_1_4&
82451 +6*e_3_1_4 &
82452 -2*e_2_0_4)
82453 e_3_2_4 = zeta*( c1*e_2_1_4 &
82454 +c2*e_3_1_4&
82455 +8*e_4_1_4 &
82456 -2*e_3_0_4)
82457 e_4_2_4 = zeta*( c1*e_3_1_4 &
82458 +c2*e_4_1_4&
82459 +10*e_5_1_4 &
82460 -2*e_4_0_4)
82461 e_5_2_4 = zeta*( c1*e_4_1_4 &
82462 +c2*e_5_1_4&
82463
82464 )
82465 e_6_2_4 = zeta*( c1*e_5_1_4 &
82466
82467
82468 )
82469
82470 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
82471 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
82472 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
82473 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
82474 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
82475 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
82476 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
82477 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
82478 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
82479 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
82480 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
82481 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
82482 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
82483 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
82484 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
82485 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
82486 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
82487 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
82488 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
82489 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
82490 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
82491 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
82492 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
82493 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
82494 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
82495 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
82496 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
82497 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
82498 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
82499 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
82500 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
82501 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
82502 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
82503 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
82504 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
82505 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
82506 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
82507 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
82508 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
82509 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
82510 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
82511 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
82512 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
82513 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
82514 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
82515 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
82516 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
82517 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
82518 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
82519 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
82520 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
82521 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
82522 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
82523 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
82524 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
82525 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
82526 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
82527 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
82528 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
82529 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
82530 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
82531 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
82532 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
82533 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
82534 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
82535 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
82536 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
82537 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
82538 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
82539 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
82540 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
82541 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
82542 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
82543 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
82544 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
82545 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
82546 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
82547 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
82548 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
82549 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
82550 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
82551 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
82552 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
82553 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
82554 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
82555 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
82556 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
82557 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
82558 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
82559 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
82560 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
82561 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
82562 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
82563 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
82564 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
82565 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
82566 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
82567 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
82568 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
82569 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
82570 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
82571 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
82572 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
82573 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
82574 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
82575 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
82576 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
82577 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
82578 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
82579 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
82580 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
82581 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
82582 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
82583 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
82584 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
82585 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
82586 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
82587 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
82588 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
82589 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
82590 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
82591 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
82592 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
82593 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
82594 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
82595 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
82596 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
82597 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
82598 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
82599 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
82600 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
82601 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
82602 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
82603 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
82604 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
82605 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
82606 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
82607 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
82608 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
82609 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
82610 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
82611 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
82612 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
82613 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
82614 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
82615 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
82616 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
82617 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
82618 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
82619 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
82620 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
82621 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
82622 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
82623 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
82624 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
82625 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
82626 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
82627 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
82628 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
82629 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
82630 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
82631 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
82632 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
82633 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
82634 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
82635 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
82636 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
82637 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
82638 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
82639 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
82640 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
82641 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
82642 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
82643 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
82644 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
82645 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
82646 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
82647 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
82648 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
82649 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
82650 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
82651 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
82652 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
82653 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
82654 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
82655 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
82656 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
82657 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
82658 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
82659 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
82660 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
82661 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
82662 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
82663 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
82664 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
82665 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
82666 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
82667 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
82668 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
82669 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
82670 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
82671 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
82672 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
82673 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
82674 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
82675 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
82676 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
82677 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
82678 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
82679 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
82680 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
82681 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
82682 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
82683 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
82684 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
82685 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
82686 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
82687 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
82688 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
82689 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
82690 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
82691 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
82692 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
82693 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
82694 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
82695 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
82696 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
82697 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
82698 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
82699 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
82700 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
82701 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
82702 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
82703 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
82704 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
82705 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
82706 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
82707 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
82708 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
82709 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
82710 r1 = r1 + dr
82711 END DO
82712
82713 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
82714 END SUBROUTINE
82715 PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_4_exp_1 ( &
82716 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
82717 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
82718 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
82719 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
82720 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
82721 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
82722 r_pow_t, r_tmp, rr1_delta, rr2_delta
82723
82724 REAL(kind=dp) :: c1, c2, c3
82725 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
82726 & s_r_t_10
82727 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
82728 & s_r_t2_9, s_r_t2_10
82729 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
82730 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
82731 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
82732 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
82733 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
82734 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
82735 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
82736 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
82737 & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
82738 & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
82739 & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
82740 & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
82741
82742 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
82743
82744 dr = lgth
82745 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
82746
82747 s_r(:, :, :) = 0.0_dp
82748
82749 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
82750
82751 h_to_c_0_0 = sqrt(alpha/pi)
82752
82753 h_to_c_0_1 = 0.0_dp
82754 h_to_c_1_1 = +2*alpha*h_to_c_0_0
82755 h_to_c_0_2 = -1*h_to_c_1_1
82756 h_to_c_1_2 = +2*alpha*h_to_c_0_1
82757 h_to_c_2_2 = +2*alpha*h_to_c_1_1
82758 h_to_c_0_3 = -1*h_to_c_1_2
82759 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
82760 h_to_c_2_3 = +2*alpha*h_to_c_1_2
82761 h_to_c_3_3 = +2*alpha*h_to_c_2_2
82762 h_to_c_0_4 = -1*h_to_c_1_3
82763 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
82764 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
82765 h_to_c_3_4 = +2*alpha*h_to_c_2_3
82766 h_to_c_4_4 = +2*alpha*h_to_c_3_3
82767 h_to_c_0_5 = -1*h_to_c_1_4
82768 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
82769 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
82770 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
82771 h_to_c_4_5 = +2*alpha*h_to_c_3_4
82772 h_to_c_5_5 = +2*alpha*h_to_c_4_4
82773 h_to_c_0_6 = -1*h_to_c_1_5
82774 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
82775 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
82776 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
82777 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
82778 h_to_c_5_6 = +2*alpha*h_to_c_4_5
82779 h_to_c_6_6 = +2*alpha*h_to_c_5_5
82780 h_to_c_0_7 = -1*h_to_c_1_6
82781 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
82782 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
82783 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
82784 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
82785 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
82786 h_to_c_6_7 = +2*alpha*h_to_c_5_6
82787 h_to_c_7_7 = +2*alpha*h_to_c_6_6
82788 h_to_c_0_8 = -1*h_to_c_1_7
82789 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
82790 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
82791 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
82792 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
82793 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
82794 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
82795 h_to_c_7_8 = +2*alpha*h_to_c_6_7
82796 h_to_c_8_8 = +2*alpha*h_to_c_7_7
82797 h_to_c_0_9 = -1*h_to_c_1_8
82798 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
82799 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
82800 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
82801 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
82802 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
82803 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
82804 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
82805 h_to_c_8_9 = +2*alpha*h_to_c_7_8
82806 h_to_c_9_9 = +2*alpha*h_to_c_8_8
82807 h_to_c_0_10 = -1*h_to_c_1_9
82808 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
82809 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
82810 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
82811 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
82812 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
82813 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
82814 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
82815 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
82816 h_to_c_9_10 = +2*alpha*h_to_c_8_9
82817 h_to_c_10_10 = +2*alpha*h_to_c_9_9
82818
82819 exp_drsq = exp(-alpha*dr*dr)
82820 exp_2drsq = exp_drsq*exp_drsq
82821
82822 rr1_delta = (ra - rb)/dr
82823
82824 rr1_l = ceiling(-r_c(1) + rr1_delta)
82825 rr1_r = floor(r_c(1) + rr1_delta)
82826
82827 r1 = rr1_l*dr
82828
82829 alpha_e = zeta*zetb/(zeta + zetb)
82830
82831 DO rr1 = rr1_l, rr1_r
82832 s_r_t_0 = 0.0_dp
82833 s_r_t2_0 = 0.0_dp
82834 s_r_t_1 = 0.0_dp
82835 s_r_t2_1 = 0.0_dp
82836 s_r_t_2 = 0.0_dp
82837 s_r_t2_2 = 0.0_dp
82838 s_r_t_3 = 0.0_dp
82839 s_r_t2_3 = 0.0_dp
82840 s_r_t_4 = 0.0_dp
82841 s_r_t2_4 = 0.0_dp
82842 s_r_t_5 = 0.0_dp
82843 s_r_t2_5 = 0.0_dp
82844 s_r_t_6 = 0.0_dp
82845 s_r_t2_6 = 0.0_dp
82846 s_r_t_7 = 0.0_dp
82847 s_r_t2_7 = 0.0_dp
82848 s_r_t_8 = 0.0_dp
82849 s_r_t2_8 = 0.0_dp
82850 s_r_t_9 = 0.0_dp
82851 s_r_t2_9 = 0.0_dp
82852 s_r_t_10 = 0.0_dp
82853 s_r_t2_10 = 0.0_dp
82854 r_tmp = r_offset + r1*zeta/(zeta + zetb)
82855 rr2_delta = -r_tmp/dr
82856
82857 rr2_l = ceiling(-r_c(2) + rr2_delta)
82858 rr2_r = floor(r_c(2) + rr2_delta)
82859
82860 r = r_tmp + (rr2_l)*dr
82861
82862 exp2_2rdr = exp(-2*alpha*r*dr)
82863 exp2_rsq = exp(-alpha*r*r)
82864
82865 DO rr2 = rr2_l, rr2_r
82866 r_pow_t = 1.0_dp
82867 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
82868 r_pow_t = r_pow_t*r
82869 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
82870 r_pow_t = r_pow_t*r
82871 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
82872 r_pow_t = r_pow_t*r
82873 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
82874 r_pow_t = r_pow_t*r
82875 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
82876 r_pow_t = r_pow_t*r
82877 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
82878 r_pow_t = r_pow_t*r
82879 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
82880 r_pow_t = r_pow_t*r
82881 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
82882 r_pow_t = r_pow_t*r
82883 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
82884 r_pow_t = r_pow_t*r
82885 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
82886 r_pow_t = r_pow_t*r
82887 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
82888
82889 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
82890 exp2_2rdr = exp2_2rdr*exp_2drsq
82891 r = r + dr
82892 END DO
82893
82894 ! C --> H
82895 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
82896 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
82897 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
82898 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
82899 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
82900 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
82901 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
82902 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
82903 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
82904 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
82905 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
82906 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
82907 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
82908 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
82909 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
82910 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
82911 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
82912 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
82913 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
82914 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
82915 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
82916 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
82917 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
82918 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
82919 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
82920 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
82921 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
82922 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
82923 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
82924 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
82925 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
82926 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
82927 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
82928 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
82929 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
82930 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
82931 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
82932 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
82933 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
82934 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
82935 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
82936 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
82937 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
82938 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
82939 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
82940 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
82941 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
82942 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
82943 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
82944 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
82945 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
82946 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
82947 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
82948 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
82949 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
82950 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
82951 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
82952 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
82953 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
82954 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
82955 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
82956 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
82957 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
82958 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
82959 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
82960 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
82961
82962 ! H --> HH
82963 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
82964
82965 c1 = 1.0_dp/(zeta + zetb)
82966 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
82967 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
82968
82969 e_0_1_0 = zeta*( &
82970 +c2*e_0_0_0&
82971
82972 )
82973 e_0_0_1 = zetb*( &
82974 +c3*e_0_0_0&
82975
82976 )
82977 e_1_1_0 = zeta*( c1*e_0_0_0 &
82978
82979
82980 )
82981 e_1_0_1 = zetb*( c1*e_0_0_0 &
82982
82983
82984 )
82985 e_0_2_0 = zeta*( &
82986 +c2*e_0_1_0&
82987 +2*e_1_1_0 &
82988 -2*e_0_0_0)
82989 e_0_1_1 = zetb*( &
82990 +c3*e_0_1_0&
82991 +2*e_1_1_0 &
82992 )
82993 e_1_2_0 = zeta*( c1*e_0_1_0 &
82994 +c2*e_1_1_0&
82995
82996 )
82997 e_1_1_1 = zetb*( c1*e_0_1_0 &
82998 +c3*e_1_1_0&
82999
83000 )
83001 e_2_2_0 = zeta*( c1*e_1_1_0 &
83002
83003
83004 )
83005 e_2_1_1 = zetb*( c1*e_1_1_0 &
83006
83007
83008 )
83009 e_0_2_1 = zetb*( &
83010 +c3*e_0_2_0&
83011 +2*e_1_2_0 &
83012 )
83013 e_1_2_1 = zetb*( c1*e_0_2_0 &
83014 +c3*e_1_2_0&
83015 +4*e_2_2_0 &
83016 )
83017 e_2_2_1 = zetb*( c1*e_1_2_0 &
83018 +c3*e_2_2_0&
83019
83020 )
83021 e_3_2_1 = zetb*( c1*e_2_2_0 &
83022
83023
83024 )
83025 e_0_1_1 = zeta*( &
83026 +c2*e_0_0_1&
83027 +2*e_1_0_1 &
83028 )
83029 e_0_0_2 = zetb*( &
83030 +c3*e_0_0_1&
83031 +2*e_1_0_1 &
83032 -2*e_0_0_0)
83033 e_1_1_1 = zeta*( c1*e_0_0_1 &
83034 +c2*e_1_0_1&
83035
83036 )
83037 e_1_0_2 = zetb*( c1*e_0_0_1 &
83038 +c3*e_1_0_1&
83039
83040 )
83041 e_2_1_1 = zeta*( c1*e_1_0_1 &
83042
83043
83044 )
83045 e_2_0_2 = zetb*( c1*e_1_0_1 &
83046
83047
83048 )
83049 e_0_2_1 = zeta*( &
83050 +c2*e_0_1_1&
83051 +2*e_1_1_1 &
83052 -2*e_0_0_1)
83053 e_0_1_2 = zetb*( &
83054 +c3*e_0_1_1&
83055 +2*e_1_1_1 &
83056 -2*e_0_1_0)
83057 e_1_2_1 = zeta*( c1*e_0_1_1 &
83058 +c2*e_1_1_1&
83059 +4*e_2_1_1 &
83060 -2*e_1_0_1)
83061 e_1_1_2 = zetb*( c1*e_0_1_1 &
83062 +c3*e_1_1_1&
83063 +4*e_2_1_1 &
83064 -2*e_1_1_0)
83065 e_2_2_1 = zeta*( c1*e_1_1_1 &
83066 +c2*e_2_1_1&
83067
83068 )
83069 e_2_1_2 = zetb*( c1*e_1_1_1 &
83070 +c3*e_2_1_1&
83071
83072 )
83073 e_3_2_1 = zeta*( c1*e_2_1_1 &
83074
83075
83076 )
83077 e_3_1_2 = zetb*( c1*e_2_1_1 &
83078
83079
83080 )
83081 e_0_2_2 = zetb*( &
83082 +c3*e_0_2_1&
83083 +2*e_1_2_1 &
83084 -2*e_0_2_0)
83085 e_1_2_2 = zetb*( c1*e_0_2_1 &
83086 +c3*e_1_2_1&
83087 +4*e_2_2_1 &
83088 -2*e_1_2_0)
83089 e_2_2_2 = zetb*( c1*e_1_2_1 &
83090 +c3*e_2_2_1&
83091 +6*e_3_2_1 &
83092 -2*e_2_2_0)
83093 e_3_2_2 = zetb*( c1*e_2_2_1 &
83094 +c3*e_3_2_1&
83095
83096 )
83097 e_4_2_2 = zetb*( c1*e_3_2_1 &
83098
83099
83100 )
83101 e_0_1_2 = zeta*( &
83102 +c2*e_0_0_2&
83103 +2*e_1_0_2 &
83104 )
83105 e_0_0_3 = zetb*( &
83106 +c3*e_0_0_2&
83107 +2*e_1_0_2 &
83108 -4*e_0_0_1)
83109 e_1_1_2 = zeta*( c1*e_0_0_2 &
83110 +c2*e_1_0_2&
83111 +4*e_2_0_2 &
83112 )
83113 e_1_0_3 = zetb*( c1*e_0_0_2 &
83114 +c3*e_1_0_2&
83115 +4*e_2_0_2 &
83116 -4*e_1_0_1)
83117 e_2_1_2 = zeta*( c1*e_1_0_2 &
83118 +c2*e_2_0_2&
83119
83120 )
83121 e_2_0_3 = zetb*( c1*e_1_0_2 &
83122 +c3*e_2_0_2&
83123
83124 )
83125 e_3_1_2 = zeta*( c1*e_2_0_2 &
83126
83127
83128 )
83129 e_3_0_3 = zetb*( c1*e_2_0_2 &
83130
83131
83132 )
83133 e_0_2_2 = zeta*( &
83134 +c2*e_0_1_2&
83135 +2*e_1_1_2 &
83136 -2*e_0_0_2)
83137 e_0_1_3 = zetb*( &
83138 +c3*e_0_1_2&
83139 +2*e_1_1_2 &
83140 -4*e_0_1_1)
83141 e_1_2_2 = zeta*( c1*e_0_1_2 &
83142 +c2*e_1_1_2&
83143 +4*e_2_1_2 &
83144 -2*e_1_0_2)
83145 e_1_1_3 = zetb*( c1*e_0_1_2 &
83146 +c3*e_1_1_2&
83147 +4*e_2_1_2 &
83148 -4*e_1_1_1)
83149 e_2_2_2 = zeta*( c1*e_1_1_2 &
83150 +c2*e_2_1_2&
83151 +6*e_3_1_2 &
83152 -2*e_2_0_2)
83153 e_2_1_3 = zetb*( c1*e_1_1_2 &
83154 +c3*e_2_1_2&
83155 +6*e_3_1_2 &
83156 -4*e_2_1_1)
83157 e_3_2_2 = zeta*( c1*e_2_1_2 &
83158 +c2*e_3_1_2&
83159
83160 )
83161 e_3_1_3 = zetb*( c1*e_2_1_2 &
83162 +c3*e_3_1_2&
83163
83164 )
83165 e_4_2_2 = zeta*( c1*e_3_1_2 &
83166
83167
83168 )
83169 e_4_1_3 = zetb*( c1*e_3_1_2 &
83170
83171
83172 )
83173 e_0_2_3 = zetb*( &
83174 +c3*e_0_2_2&
83175 +2*e_1_2_2 &
83176 -4*e_0_2_1)
83177 e_1_2_3 = zetb*( c1*e_0_2_2 &
83178 +c3*e_1_2_2&
83179 +4*e_2_2_2 &
83180 -4*e_1_2_1)
83181 e_2_2_3 = zetb*( c1*e_1_2_2 &
83182 +c3*e_2_2_2&
83183 +6*e_3_2_2 &
83184 -4*e_2_2_1)
83185 e_3_2_3 = zetb*( c1*e_2_2_2 &
83186 +c3*e_3_2_2&
83187 +8*e_4_2_2 &
83188 -4*e_3_2_1)
83189 e_4_2_3 = zetb*( c1*e_3_2_2 &
83190 +c3*e_4_2_2&
83191
83192 )
83193 e_5_2_3 = zetb*( c1*e_4_2_2 &
83194
83195
83196 )
83197 e_0_1_3 = zeta*( &
83198 +c2*e_0_0_3&
83199 +2*e_1_0_3 &
83200 )
83201 e_0_0_4 = zetb*( &
83202 +c3*e_0_0_3&
83203 +2*e_1_0_3 &
83204 -6*e_0_0_2)
83205 e_1_1_3 = zeta*( c1*e_0_0_3 &
83206 +c2*e_1_0_3&
83207 +4*e_2_0_3 &
83208 )
83209 e_1_0_4 = zetb*( c1*e_0_0_3 &
83210 +c3*e_1_0_3&
83211 +4*e_2_0_3 &
83212 -6*e_1_0_2)
83213 e_2_1_3 = zeta*( c1*e_1_0_3 &
83214 +c2*e_2_0_3&
83215 +6*e_3_0_3 &
83216 )
83217 e_2_0_4 = zetb*( c1*e_1_0_3 &
83218 +c3*e_2_0_3&
83219 +6*e_3_0_3 &
83220 -6*e_2_0_2)
83221 e_3_1_3 = zeta*( c1*e_2_0_3 &
83222 +c2*e_3_0_3&
83223
83224 )
83225 e_3_0_4 = zetb*( c1*e_2_0_3 &
83226 +c3*e_3_0_3&
83227
83228 )
83229 e_4_1_3 = zeta*( c1*e_3_0_3 &
83230
83231
83232 )
83233 e_4_0_4 = zetb*( c1*e_3_0_3 &
83234
83235
83236 )
83237 e_0_2_3 = zeta*( &
83238 +c2*e_0_1_3&
83239 +2*e_1_1_3 &
83240 -2*e_0_0_3)
83241 e_0_1_4 = zetb*( &
83242 +c3*e_0_1_3&
83243 +2*e_1_1_3 &
83244 -6*e_0_1_2)
83245 e_1_2_3 = zeta*( c1*e_0_1_3 &
83246 +c2*e_1_1_3&
83247 +4*e_2_1_3 &
83248 -2*e_1_0_3)
83249 e_1_1_4 = zetb*( c1*e_0_1_3 &
83250 +c3*e_1_1_3&
83251 +4*e_2_1_3 &
83252 -6*e_1_1_2)
83253 e_2_2_3 = zeta*( c1*e_1_1_3 &
83254 +c2*e_2_1_3&
83255 +6*e_3_1_3 &
83256 -2*e_2_0_3)
83257 e_2_1_4 = zetb*( c1*e_1_1_3 &
83258 +c3*e_2_1_3&
83259 +6*e_3_1_3 &
83260 -6*e_2_1_2)
83261 e_3_2_3 = zeta*( c1*e_2_1_3 &
83262 +c2*e_3_1_3&
83263 +8*e_4_1_3 &
83264 -2*e_3_0_3)
83265 e_3_1_4 = zetb*( c1*e_2_1_3 &
83266 +c3*e_3_1_3&
83267 +8*e_4_1_3 &
83268 -6*e_3_1_2)
83269 e_4_2_3 = zeta*( c1*e_3_1_3 &
83270 +c2*e_4_1_3&
83271
83272 )
83273 e_4_1_4 = zetb*( c1*e_3_1_3 &
83274 +c3*e_4_1_3&
83275
83276 )
83277 e_5_2_3 = zeta*( c1*e_4_1_3 &
83278
83279
83280 )
83281 e_5_1_4 = zetb*( c1*e_4_1_3 &
83282
83283
83284 )
83285 e_0_2_4 = zetb*( &
83286 +c3*e_0_2_3&
83287 +2*e_1_2_3 &
83288 -6*e_0_2_2)
83289 e_1_2_4 = zetb*( c1*e_0_2_3 &
83290 +c3*e_1_2_3&
83291 +4*e_2_2_3 &
83292 -6*e_1_2_2)
83293 e_2_2_4 = zetb*( c1*e_1_2_3 &
83294 +c3*e_2_2_3&
83295 +6*e_3_2_3 &
83296 -6*e_2_2_2)
83297 e_3_2_4 = zetb*( c1*e_2_2_3 &
83298 +c3*e_3_2_3&
83299 +8*e_4_2_3 &
83300 -6*e_3_2_2)
83301 e_4_2_4 = zetb*( c1*e_3_2_3 &
83302 +c3*e_4_2_3&
83303 +10*e_5_2_3 &
83304 -6*e_4_2_2)
83305 e_5_2_4 = zetb*( c1*e_4_2_3 &
83306 +c3*e_5_2_3&
83307
83308 )
83309 e_6_2_4 = zetb*( c1*e_5_2_3 &
83310
83311
83312 )
83313 e_0_1_4 = zeta*( &
83314 +c2*e_0_0_4&
83315 +2*e_1_0_4 &
83316 )
83317 e_1_1_4 = zeta*( c1*e_0_0_4 &
83318 +c2*e_1_0_4&
83319 +4*e_2_0_4 &
83320 )
83321 e_2_1_4 = zeta*( c1*e_1_0_4 &
83322 +c2*e_2_0_4&
83323 +6*e_3_0_4 &
83324 )
83325 e_3_1_4 = zeta*( c1*e_2_0_4 &
83326 +c2*e_3_0_4&
83327 +8*e_4_0_4 &
83328 )
83329 e_4_1_4 = zeta*( c1*e_3_0_4 &
83330 +c2*e_4_0_4&
83331
83332 )
83333 e_5_1_4 = zeta*( c1*e_4_0_4 &
83334
83335
83336 )
83337 e_0_2_4 = zeta*( &
83338 +c2*e_0_1_4&
83339 +2*e_1_1_4 &
83340 -2*e_0_0_4)
83341 e_1_2_4 = zeta*( c1*e_0_1_4 &
83342 +c2*e_1_1_4&
83343 +4*e_2_1_4 &
83344 -2*e_1_0_4)
83345 e_2_2_4 = zeta*( c1*e_1_1_4 &
83346 +c2*e_2_1_4&
83347 +6*e_3_1_4 &
83348 -2*e_2_0_4)
83349 e_3_2_4 = zeta*( c1*e_2_1_4 &
83350 +c2*e_3_1_4&
83351 +8*e_4_1_4 &
83352 -2*e_3_0_4)
83353 e_4_2_4 = zeta*( c1*e_3_1_4 &
83354 +c2*e_4_1_4&
83355 +10*e_5_1_4 &
83356 -2*e_4_0_4)
83357 e_5_2_4 = zeta*( c1*e_4_1_4 &
83358 +c2*e_5_1_4&
83359
83360 )
83361 e_6_2_4 = zeta*( c1*e_5_1_4 &
83362
83363
83364 )
83365
83366 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83367 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83368 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83369 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83370 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83371 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83372 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
83373 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
83374 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
83375 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
83376 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
83377 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
83378 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
83379 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
83380 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
83381 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
83382 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
83383 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
83384 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
83385 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
83386 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
83387 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
83388 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
83389 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
83390 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
83391 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
83392 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83393 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
83394 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
83395 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
83396 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
83397 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
83398 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
83399 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
83400 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
83401 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83402 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
83403 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
83404 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
83405 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
83406 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83407 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83408 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
83409 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
83410 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
83411 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
83412 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83413 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
83414 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
83415 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
83416 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
83417 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83418 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83419 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
83420 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
83421 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
83422 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
83423 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83424 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83425 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83426 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
83427 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
83428 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
83429 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
83430 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
83431 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83432 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
83433 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
83434 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
83435 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
83436 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
83437 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
83438 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
83439 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
83440 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
83441 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
83442 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
83443 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
83444 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
83445 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
83446 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
83447 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
83448 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
83449 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
83450 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
83451 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
83452 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
83453 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
83454 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
83455 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
83456 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
83457 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
83458 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
83459 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
83460 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
83461 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
83462 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
83463 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
83464 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
83465 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
83466 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
83467 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
83468 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
83469 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
83470 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
83471 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
83472 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
83473 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
83474 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
83475 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
83476 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
83477 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
83478 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
83479 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
83480 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
83481 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
83482 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
83483 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
83484 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
83485 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
83486 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
83487 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
83488 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
83489 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83490 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
83491 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
83492 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
83493 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
83494 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
83495 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
83496 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
83497 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
83498 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
83499 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
83500 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
83501 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
83502 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
83503 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
83504 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
83505 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
83506 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
83507 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
83508 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
83509 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
83510 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83511 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
83512 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
83513 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
83514 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
83515 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
83516 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
83517 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
83518 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
83519 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83520 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
83521 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
83522 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
83523 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
83524 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83525 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83526 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
83527 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
83528 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
83529 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
83530 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83531 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
83532 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
83533 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
83534 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
83535 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83536 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83537 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
83538 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
83539 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
83540 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
83541 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83542 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83543 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83544 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
83545 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
83546 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
83547 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
83548 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
83549 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83550 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
83551 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
83552 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
83553 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
83554 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
83555 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
83556 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
83557 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
83558 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
83559 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
83560 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
83561 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
83562 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
83563 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
83564 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
83565 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
83566 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
83567 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
83568 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
83569 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
83570 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
83571 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
83572 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
83573 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
83574 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
83575 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
83576 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
83577 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
83578 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
83579 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
83580 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
83581 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
83582 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
83583 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
83584 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
83585 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
83586 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
83587 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
83588 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
83589 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
83590 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
83591 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
83592 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
83593 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
83594 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
83595 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
83596 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
83597 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
83598 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
83599 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
83600 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
83601 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
83602 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
83603 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
83604 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
83605 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
83606 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
83607 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
83608 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
83609 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
83610 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
83611 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
83612 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
83613 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
83614 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
83615 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
83616 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
83617 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
83618 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
83619 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
83620 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
83621 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
83622 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
83623 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
83624 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
83625 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
83626 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
83627 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
83628 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83629 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
83630 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
83631 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
83632 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
83633 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
83634 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
83635 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
83636 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
83637 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83638 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
83639 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
83640 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
83641 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
83642 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83643 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83644 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
83645 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
83646 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
83647 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
83648 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83649 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
83650 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
83651 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
83652 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
83653 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83654 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83655 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
83656 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
83657 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
83658 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
83659 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83660 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83661 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83662 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
83663 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
83664 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
83665 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
83666 r1 = r1 + dr
83667 END DO
83668
83669 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
83670 END SUBROUTINE
83671 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_0_exp_1 ( &
83672 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
83673 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
83674 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
83675 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
83676 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
83677 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
83678 r_pow_t, r_tmp, rr1_delta, rr2_delta
83679
83680 REAL(kind=dp) :: c1, c2, c3
83681 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
83682 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
83683 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
83684 & h_to_c_3_3
83685 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
83686
83687 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
83688
83689 dr = lgth
83690 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
83691
83692 s_r(:, :, :) = 0.0_dp
83693
83694 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
83695
83696 h_to_c_0_0 = sqrt(alpha/pi)
83697
83698 h_to_c_0_1 = 0.0_dp
83699 h_to_c_1_1 = +2*alpha*h_to_c_0_0
83700 h_to_c_0_2 = -1*h_to_c_1_1
83701 h_to_c_1_2 = +2*alpha*h_to_c_0_1
83702 h_to_c_2_2 = +2*alpha*h_to_c_1_1
83703 h_to_c_0_3 = -1*h_to_c_1_2
83704 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
83705 h_to_c_2_3 = +2*alpha*h_to_c_1_2
83706 h_to_c_3_3 = +2*alpha*h_to_c_2_2
83707
83708 exp_drsq = exp(-alpha*dr*dr)
83709 exp_2drsq = exp_drsq*exp_drsq
83710
83711 rr1_delta = (ra - rb)/dr
83712
83713 rr1_l = ceiling(-r_c(1) + rr1_delta)
83714 rr1_r = floor(r_c(1) + rr1_delta)
83715
83716 r1 = rr1_l*dr
83717
83718 alpha_e = zeta*zetb/(zeta + zetb)
83719
83720 DO rr1 = rr1_l, rr1_r
83721 s_r_t_0 = 0.0_dp
83722 s_r_t2_0 = 0.0_dp
83723 s_r_t_1 = 0.0_dp
83724 s_r_t2_1 = 0.0_dp
83725 s_r_t_2 = 0.0_dp
83726 s_r_t2_2 = 0.0_dp
83727 s_r_t_3 = 0.0_dp
83728 s_r_t2_3 = 0.0_dp
83729 r_tmp = r_offset + r1*zeta/(zeta + zetb)
83730 rr2_delta = -r_tmp/dr
83731
83732 rr2_l = ceiling(-r_c(2) + rr2_delta)
83733 rr2_r = floor(r_c(2) + rr2_delta)
83734
83735 r = r_tmp + (rr2_l)*dr
83736
83737 exp2_2rdr = exp(-2*alpha*r*dr)
83738 exp2_rsq = exp(-alpha*r*r)
83739
83740 DO rr2 = rr2_l, rr2_r
83741 r_pow_t = 1.0_dp
83742 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
83743 r_pow_t = r_pow_t*r
83744 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
83745 r_pow_t = r_pow_t*r
83746 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
83747 r_pow_t = r_pow_t*r
83748 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
83749
83750 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
83751 exp2_2rdr = exp2_2rdr*exp_2drsq
83752 r = r + dr
83753 END DO
83754
83755 ! C --> H
83756 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
83757 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
83758 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
83759 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
83760 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
83761 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
83762 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
83763 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
83764 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
83765 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
83766
83767 ! H --> HH
83768 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
83769
83770 c1 = 1.0_dp/(zeta + zetb)
83771 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
83772 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
83773
83774 e_0_1_0 = zeta*( &
83775 +c2*e_0_0_0&
83776
83777 )
83778 e_1_1_0 = zeta*( c1*e_0_0_0 &
83779
83780
83781 )
83782 e_0_2_0 = zeta*( &
83783 +c2*e_0_1_0&
83784 +2*e_1_1_0 &
83785 -2*e_0_0_0)
83786 e_1_2_0 = zeta*( c1*e_0_1_0 &
83787 +c2*e_1_1_0&
83788
83789 )
83790 e_2_2_0 = zeta*( c1*e_1_1_0 &
83791
83792
83793 )
83794 e_0_3_0 = zeta*( &
83795 +c2*e_0_2_0&
83796 +2*e_1_2_0 &
83797 -4*e_0_1_0)
83798 e_1_3_0 = zeta*( c1*e_0_2_0 &
83799 +c2*e_1_2_0&
83800 +4*e_2_2_0 &
83801 -4*e_1_1_0)
83802 e_2_3_0 = zeta*( c1*e_1_2_0 &
83803 +c2*e_2_2_0&
83804
83805 )
83806 e_3_3_0 = zeta*( c1*e_2_2_0 &
83807
83808
83809 )
83810
83811 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83812 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83813 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83814 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83815 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83816 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83817 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
83818 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
83819 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
83820 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
83821 r1 = r1 + dr
83822 END DO
83823
83824 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
83825 END SUBROUTINE
83826 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_1_exp_1 ( &
83827 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
83828 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
83829 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
83830 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
83831 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
83832 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
83833 r_pow_t, r_tmp, rr1_delta, rr2_delta
83834
83835 REAL(kind=dp) :: c1, c2, c3
83836 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
83837 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
83838 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
83839 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
83840 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
83841
83842 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
83843
83844 dr = lgth
83845 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
83846
83847 s_r(:, :, :) = 0.0_dp
83848
83849 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
83850
83851 h_to_c_0_0 = sqrt(alpha/pi)
83852
83853 h_to_c_0_1 = 0.0_dp
83854 h_to_c_1_1 = +2*alpha*h_to_c_0_0
83855 h_to_c_0_2 = -1*h_to_c_1_1
83856 h_to_c_1_2 = +2*alpha*h_to_c_0_1
83857 h_to_c_2_2 = +2*alpha*h_to_c_1_1
83858 h_to_c_0_3 = -1*h_to_c_1_2
83859 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
83860 h_to_c_2_3 = +2*alpha*h_to_c_1_2
83861 h_to_c_3_3 = +2*alpha*h_to_c_2_2
83862 h_to_c_0_4 = -1*h_to_c_1_3
83863 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
83864 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
83865 h_to_c_3_4 = +2*alpha*h_to_c_2_3
83866 h_to_c_4_4 = +2*alpha*h_to_c_3_3
83867
83868 exp_drsq = exp(-alpha*dr*dr)
83869 exp_2drsq = exp_drsq*exp_drsq
83870
83871 rr1_delta = (ra - rb)/dr
83872
83873 rr1_l = ceiling(-r_c(1) + rr1_delta)
83874 rr1_r = floor(r_c(1) + rr1_delta)
83875
83876 r1 = rr1_l*dr
83877
83878 alpha_e = zeta*zetb/(zeta + zetb)
83879
83880 DO rr1 = rr1_l, rr1_r
83881 s_r_t_0 = 0.0_dp
83882 s_r_t2_0 = 0.0_dp
83883 s_r_t_1 = 0.0_dp
83884 s_r_t2_1 = 0.0_dp
83885 s_r_t_2 = 0.0_dp
83886 s_r_t2_2 = 0.0_dp
83887 s_r_t_3 = 0.0_dp
83888 s_r_t2_3 = 0.0_dp
83889 s_r_t_4 = 0.0_dp
83890 s_r_t2_4 = 0.0_dp
83891 r_tmp = r_offset + r1*zeta/(zeta + zetb)
83892 rr2_delta = -r_tmp/dr
83893
83894 rr2_l = ceiling(-r_c(2) + rr2_delta)
83895 rr2_r = floor(r_c(2) + rr2_delta)
83896
83897 r = r_tmp + (rr2_l)*dr
83898
83899 exp2_2rdr = exp(-2*alpha*r*dr)
83900 exp2_rsq = exp(-alpha*r*r)
83901
83902 DO rr2 = rr2_l, rr2_r
83903 r_pow_t = 1.0_dp
83904 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
83905 r_pow_t = r_pow_t*r
83906 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
83907 r_pow_t = r_pow_t*r
83908 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
83909 r_pow_t = r_pow_t*r
83910 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
83911 r_pow_t = r_pow_t*r
83912 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
83913
83914 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
83915 exp2_2rdr = exp2_2rdr*exp_2drsq
83916 r = r + dr
83917 END DO
83918
83919 ! C --> H
83920 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
83921 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
83922 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
83923 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
83924 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
83925 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
83926 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
83927 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
83928 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
83929 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
83930 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
83931 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
83932 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
83933 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
83934 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
83935
83936 ! H --> HH
83937 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
83938
83939 c1 = 1.0_dp/(zeta + zetb)
83940 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
83941 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
83942
83943 e_0_1_0 = zeta*( &
83944 +c2*e_0_0_0&
83945
83946 )
83947 e_1_1_0 = zeta*( c1*e_0_0_0 &
83948
83949
83950 )
83951 e_0_2_0 = zeta*( &
83952 +c2*e_0_1_0&
83953 +2*e_1_1_0 &
83954 -2*e_0_0_0)
83955 e_1_2_0 = zeta*( c1*e_0_1_0 &
83956 +c2*e_1_1_0&
83957
83958 )
83959 e_2_2_0 = zeta*( c1*e_1_1_0 &
83960
83961
83962 )
83963 e_0_3_0 = zeta*( &
83964 +c2*e_0_2_0&
83965 +2*e_1_2_0 &
83966 -4*e_0_1_0)
83967 e_1_3_0 = zeta*( c1*e_0_2_0 &
83968 +c2*e_1_2_0&
83969 +4*e_2_2_0 &
83970 -4*e_1_1_0)
83971 e_2_3_0 = zeta*( c1*e_1_2_0 &
83972 +c2*e_2_2_0&
83973
83974 )
83975 e_3_3_0 = zeta*( c1*e_2_2_0 &
83976
83977
83978 )
83979
83980 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83981 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83982 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83983 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83984 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83985 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83986 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
83987 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
83988 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
83989 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
83990 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
83991 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
83992 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
83993 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
83994 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
83995 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83996 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
83997 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
83998 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
83999 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84000 r1 = r1 + dr
84001 END DO
84002
84003 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84004 END SUBROUTINE
84005 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_2_exp_1 ( &
84006 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84007 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84008 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84009 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84010 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84011 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84012 r_pow_t, r_tmp, rr1_delta, rr2_delta
84013
84014 REAL(kind=dp) :: c1, c2, c3
84015 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
84016 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
84017 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84018 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84019 & h_to_c_4_5, h_to_c_5_5
84020 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84021
84022 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84023
84024 dr = lgth
84025 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84026
84027 s_r(:, :, :) = 0.0_dp
84028
84029 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84030
84031 h_to_c_0_0 = sqrt(alpha/pi)
84032
84033 h_to_c_0_1 = 0.0_dp
84034 h_to_c_1_1 = +2*alpha*h_to_c_0_0
84035 h_to_c_0_2 = -1*h_to_c_1_1
84036 h_to_c_1_2 = +2*alpha*h_to_c_0_1
84037 h_to_c_2_2 = +2*alpha*h_to_c_1_1
84038 h_to_c_0_3 = -1*h_to_c_1_2
84039 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84040 h_to_c_2_3 = +2*alpha*h_to_c_1_2
84041 h_to_c_3_3 = +2*alpha*h_to_c_2_2
84042 h_to_c_0_4 = -1*h_to_c_1_3
84043 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84044 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84045 h_to_c_3_4 = +2*alpha*h_to_c_2_3
84046 h_to_c_4_4 = +2*alpha*h_to_c_3_3
84047 h_to_c_0_5 = -1*h_to_c_1_4
84048 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84049 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84050 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84051 h_to_c_4_5 = +2*alpha*h_to_c_3_4
84052 h_to_c_5_5 = +2*alpha*h_to_c_4_4
84053
84054 exp_drsq = exp(-alpha*dr*dr)
84055 exp_2drsq = exp_drsq*exp_drsq
84056
84057 rr1_delta = (ra - rb)/dr
84058
84059 rr1_l = ceiling(-r_c(1) + rr1_delta)
84060 rr1_r = floor(r_c(1) + rr1_delta)
84061
84062 r1 = rr1_l*dr
84063
84064 alpha_e = zeta*zetb/(zeta + zetb)
84065
84066 DO rr1 = rr1_l, rr1_r
84067 s_r_t_0 = 0.0_dp
84068 s_r_t2_0 = 0.0_dp
84069 s_r_t_1 = 0.0_dp
84070 s_r_t2_1 = 0.0_dp
84071 s_r_t_2 = 0.0_dp
84072 s_r_t2_2 = 0.0_dp
84073 s_r_t_3 = 0.0_dp
84074 s_r_t2_3 = 0.0_dp
84075 s_r_t_4 = 0.0_dp
84076 s_r_t2_4 = 0.0_dp
84077 s_r_t_5 = 0.0_dp
84078 s_r_t2_5 = 0.0_dp
84079 r_tmp = r_offset + r1*zeta/(zeta + zetb)
84080 rr2_delta = -r_tmp/dr
84081
84082 rr2_l = ceiling(-r_c(2) + rr2_delta)
84083 rr2_r = floor(r_c(2) + rr2_delta)
84084
84085 r = r_tmp + (rr2_l)*dr
84086
84087 exp2_2rdr = exp(-2*alpha*r*dr)
84088 exp2_rsq = exp(-alpha*r*r)
84089
84090 DO rr2 = rr2_l, rr2_r
84091 r_pow_t = 1.0_dp
84092 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84093 r_pow_t = r_pow_t*r
84094 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84095 r_pow_t = r_pow_t*r
84096 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84097 r_pow_t = r_pow_t*r
84098 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84099 r_pow_t = r_pow_t*r
84100 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84101 r_pow_t = r_pow_t*r
84102 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84103
84104 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84105 exp2_2rdr = exp2_2rdr*exp_2drsq
84106 r = r + dr
84107 END DO
84108
84109 ! C --> H
84110 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84111 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84112 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84113 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84114 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84115 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84116 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84117 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84118 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84119 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84120 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84121 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84122 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84123 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84124 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84125 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84126 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84127 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84128 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84129 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84130 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84131
84132 ! H --> HH
84133 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84134
84135 c1 = 1.0_dp/(zeta + zetb)
84136 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84137 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84138
84139 e_0_1_0 = zeta*( &
84140 +c2*e_0_0_0&
84141
84142 )
84143 e_1_1_0 = zeta*( c1*e_0_0_0 &
84144
84145
84146 )
84147 e_0_2_0 = zeta*( &
84148 +c2*e_0_1_0&
84149 +2*e_1_1_0 &
84150 -2*e_0_0_0)
84151 e_1_2_0 = zeta*( c1*e_0_1_0 &
84152 +c2*e_1_1_0&
84153
84154 )
84155 e_2_2_0 = zeta*( c1*e_1_1_0 &
84156
84157
84158 )
84159 e_0_3_0 = zeta*( &
84160 +c2*e_0_2_0&
84161 +2*e_1_2_0 &
84162 -4*e_0_1_0)
84163 e_1_3_0 = zeta*( c1*e_0_2_0 &
84164 +c2*e_1_2_0&
84165 +4*e_2_2_0 &
84166 -4*e_1_1_0)
84167 e_2_3_0 = zeta*( c1*e_1_2_0 &
84168 +c2*e_2_2_0&
84169
84170 )
84171 e_3_3_0 = zeta*( c1*e_2_2_0 &
84172
84173
84174 )
84175
84176 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84177 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84178 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84179 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84180 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84181 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84182 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84183 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84184 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84185 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84186 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84187 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84188 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84189 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84190 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84191 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84192 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84193 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84194 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84195 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84196 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84197 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84198 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84199 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84200 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84201 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84202 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84203 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84204 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84205 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84206 r1 = r1 + dr
84207 END DO
84208
84209 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84210 END SUBROUTINE
84211 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_3_exp_1 ( &
84212 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84213 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84214 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84215 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84216 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84217 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84218 r_pow_t, r_tmp, rr1_delta, rr2_delta
84219
84220 REAL(kind=dp) :: c1, c2, c3
84221 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
84222 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
84223 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84224 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84225 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
84226 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84227
84228 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84229
84230 dr = lgth
84231 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84232
84233 s_r(:, :, :) = 0.0_dp
84234
84235 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84236
84237 h_to_c_0_0 = sqrt(alpha/pi)
84238
84239 h_to_c_0_1 = 0.0_dp
84240 h_to_c_1_1 = +2*alpha*h_to_c_0_0
84241 h_to_c_0_2 = -1*h_to_c_1_1
84242 h_to_c_1_2 = +2*alpha*h_to_c_0_1
84243 h_to_c_2_2 = +2*alpha*h_to_c_1_1
84244 h_to_c_0_3 = -1*h_to_c_1_2
84245 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84246 h_to_c_2_3 = +2*alpha*h_to_c_1_2
84247 h_to_c_3_3 = +2*alpha*h_to_c_2_2
84248 h_to_c_0_4 = -1*h_to_c_1_3
84249 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84250 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84251 h_to_c_3_4 = +2*alpha*h_to_c_2_3
84252 h_to_c_4_4 = +2*alpha*h_to_c_3_3
84253 h_to_c_0_5 = -1*h_to_c_1_4
84254 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84255 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84256 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84257 h_to_c_4_5 = +2*alpha*h_to_c_3_4
84258 h_to_c_5_5 = +2*alpha*h_to_c_4_4
84259 h_to_c_0_6 = -1*h_to_c_1_5
84260 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
84261 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
84262 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
84263 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
84264 h_to_c_5_6 = +2*alpha*h_to_c_4_5
84265 h_to_c_6_6 = +2*alpha*h_to_c_5_5
84266
84267 exp_drsq = exp(-alpha*dr*dr)
84268 exp_2drsq = exp_drsq*exp_drsq
84269
84270 rr1_delta = (ra - rb)/dr
84271
84272 rr1_l = ceiling(-r_c(1) + rr1_delta)
84273 rr1_r = floor(r_c(1) + rr1_delta)
84274
84275 r1 = rr1_l*dr
84276
84277 alpha_e = zeta*zetb/(zeta + zetb)
84278
84279 DO rr1 = rr1_l, rr1_r
84280 s_r_t_0 = 0.0_dp
84281 s_r_t2_0 = 0.0_dp
84282 s_r_t_1 = 0.0_dp
84283 s_r_t2_1 = 0.0_dp
84284 s_r_t_2 = 0.0_dp
84285 s_r_t2_2 = 0.0_dp
84286 s_r_t_3 = 0.0_dp
84287 s_r_t2_3 = 0.0_dp
84288 s_r_t_4 = 0.0_dp
84289 s_r_t2_4 = 0.0_dp
84290 s_r_t_5 = 0.0_dp
84291 s_r_t2_5 = 0.0_dp
84292 s_r_t_6 = 0.0_dp
84293 s_r_t2_6 = 0.0_dp
84294 r_tmp = r_offset + r1*zeta/(zeta + zetb)
84295 rr2_delta = -r_tmp/dr
84296
84297 rr2_l = ceiling(-r_c(2) + rr2_delta)
84298 rr2_r = floor(r_c(2) + rr2_delta)
84299
84300 r = r_tmp + (rr2_l)*dr
84301
84302 exp2_2rdr = exp(-2*alpha*r*dr)
84303 exp2_rsq = exp(-alpha*r*r)
84304
84305 DO rr2 = rr2_l, rr2_r
84306 r_pow_t = 1.0_dp
84307 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84308 r_pow_t = r_pow_t*r
84309 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84310 r_pow_t = r_pow_t*r
84311 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84312 r_pow_t = r_pow_t*r
84313 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84314 r_pow_t = r_pow_t*r
84315 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84316 r_pow_t = r_pow_t*r
84317 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84318 r_pow_t = r_pow_t*r
84319 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
84320
84321 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84322 exp2_2rdr = exp2_2rdr*exp_2drsq
84323 r = r + dr
84324 END DO
84325
84326 ! C --> H
84327 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84328 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84329 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84330 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84331 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84332 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84333 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84334 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84335 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84336 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84337 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84338 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84339 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84340 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84341 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84342 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84343 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84344 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84345 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84346 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84347 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84348 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
84349 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
84350 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
84351 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
84352 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
84353 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
84354 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
84355
84356 ! H --> HH
84357 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84358
84359 c1 = 1.0_dp/(zeta + zetb)
84360 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84361 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84362
84363 e_0_1_0 = zeta*( &
84364 +c2*e_0_0_0&
84365
84366 )
84367 e_1_1_0 = zeta*( c1*e_0_0_0 &
84368
84369
84370 )
84371 e_0_2_0 = zeta*( &
84372 +c2*e_0_1_0&
84373 +2*e_1_1_0 &
84374 -2*e_0_0_0)
84375 e_1_2_0 = zeta*( c1*e_0_1_0 &
84376 +c2*e_1_1_0&
84377
84378 )
84379 e_2_2_0 = zeta*( c1*e_1_1_0 &
84380
84381
84382 )
84383 e_0_3_0 = zeta*( &
84384 +c2*e_0_2_0&
84385 +2*e_1_2_0 &
84386 -4*e_0_1_0)
84387 e_1_3_0 = zeta*( c1*e_0_2_0 &
84388 +c2*e_1_2_0&
84389 +4*e_2_2_0 &
84390 -4*e_1_1_0)
84391 e_2_3_0 = zeta*( c1*e_1_2_0 &
84392 +c2*e_2_2_0&
84393
84394 )
84395 e_3_3_0 = zeta*( c1*e_2_2_0 &
84396
84397
84398 )
84399
84400 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84401 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84402 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84403 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84404 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84405 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84406 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84407 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84408 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84409 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84410 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84411 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84412 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84413 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84414 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84415 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84416 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84417 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84418 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84419 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84420 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84421 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84422 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84423 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84424 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84425 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84426 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84427 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84428 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84429 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84430 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
84431 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
84432 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
84433 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84434 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
84435 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
84436 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84437 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84438 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
84439 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
84440 r1 = r1 + dr
84441 END DO
84442
84443 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84444 END SUBROUTINE
84445 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_4_exp_1 ( &
84446 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84447 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84448 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84449 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84450 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84451 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84452 r_pow_t, r_tmp, rr1_delta, rr2_delta
84453
84454 REAL(kind=dp) :: c1, c2, c3
84455 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
84456 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
84457 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84458 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84459 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
84460 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
84461 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84462
84463 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84464
84465 dr = lgth
84466 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84467
84468 s_r(:, :, :) = 0.0_dp
84469
84470 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84471
84472 h_to_c_0_0 = sqrt(alpha/pi)
84473
84474 h_to_c_0_1 = 0.0_dp
84475 h_to_c_1_1 = +2*alpha*h_to_c_0_0
84476 h_to_c_0_2 = -1*h_to_c_1_1
84477 h_to_c_1_2 = +2*alpha*h_to_c_0_1
84478 h_to_c_2_2 = +2*alpha*h_to_c_1_1
84479 h_to_c_0_3 = -1*h_to_c_1_2
84480 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84481 h_to_c_2_3 = +2*alpha*h_to_c_1_2
84482 h_to_c_3_3 = +2*alpha*h_to_c_2_2
84483 h_to_c_0_4 = -1*h_to_c_1_3
84484 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84485 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84486 h_to_c_3_4 = +2*alpha*h_to_c_2_3
84487 h_to_c_4_4 = +2*alpha*h_to_c_3_3
84488 h_to_c_0_5 = -1*h_to_c_1_4
84489 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84490 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84491 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84492 h_to_c_4_5 = +2*alpha*h_to_c_3_4
84493 h_to_c_5_5 = +2*alpha*h_to_c_4_4
84494 h_to_c_0_6 = -1*h_to_c_1_5
84495 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
84496 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
84497 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
84498 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
84499 h_to_c_5_6 = +2*alpha*h_to_c_4_5
84500 h_to_c_6_6 = +2*alpha*h_to_c_5_5
84501 h_to_c_0_7 = -1*h_to_c_1_6
84502 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
84503 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
84504 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
84505 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
84506 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
84507 h_to_c_6_7 = +2*alpha*h_to_c_5_6
84508 h_to_c_7_7 = +2*alpha*h_to_c_6_6
84509
84510 exp_drsq = exp(-alpha*dr*dr)
84511 exp_2drsq = exp_drsq*exp_drsq
84512
84513 rr1_delta = (ra - rb)/dr
84514
84515 rr1_l = ceiling(-r_c(1) + rr1_delta)
84516 rr1_r = floor(r_c(1) + rr1_delta)
84517
84518 r1 = rr1_l*dr
84519
84520 alpha_e = zeta*zetb/(zeta + zetb)
84521
84522 DO rr1 = rr1_l, rr1_r
84523 s_r_t_0 = 0.0_dp
84524 s_r_t2_0 = 0.0_dp
84525 s_r_t_1 = 0.0_dp
84526 s_r_t2_1 = 0.0_dp
84527 s_r_t_2 = 0.0_dp
84528 s_r_t2_2 = 0.0_dp
84529 s_r_t_3 = 0.0_dp
84530 s_r_t2_3 = 0.0_dp
84531 s_r_t_4 = 0.0_dp
84532 s_r_t2_4 = 0.0_dp
84533 s_r_t_5 = 0.0_dp
84534 s_r_t2_5 = 0.0_dp
84535 s_r_t_6 = 0.0_dp
84536 s_r_t2_6 = 0.0_dp
84537 s_r_t_7 = 0.0_dp
84538 s_r_t2_7 = 0.0_dp
84539 r_tmp = r_offset + r1*zeta/(zeta + zetb)
84540 rr2_delta = -r_tmp/dr
84541
84542 rr2_l = ceiling(-r_c(2) + rr2_delta)
84543 rr2_r = floor(r_c(2) + rr2_delta)
84544
84545 r = r_tmp + (rr2_l)*dr
84546
84547 exp2_2rdr = exp(-2*alpha*r*dr)
84548 exp2_rsq = exp(-alpha*r*r)
84549
84550 DO rr2 = rr2_l, rr2_r
84551 r_pow_t = 1.0_dp
84552 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84553 r_pow_t = r_pow_t*r
84554 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84555 r_pow_t = r_pow_t*r
84556 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84557 r_pow_t = r_pow_t*r
84558 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84559 r_pow_t = r_pow_t*r
84560 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84561 r_pow_t = r_pow_t*r
84562 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84563 r_pow_t = r_pow_t*r
84564 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
84565 r_pow_t = r_pow_t*r
84566 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
84567
84568 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84569 exp2_2rdr = exp2_2rdr*exp_2drsq
84570 r = r + dr
84571 END DO
84572
84573 ! C --> H
84574 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84575 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84576 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84577 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84578 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84579 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84580 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84581 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84582 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84583 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84584 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84585 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84586 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84587 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84588 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84589 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84590 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84591 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84592 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84593 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84594 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84595 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
84596 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
84597 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
84598 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
84599 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
84600 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
84601 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
84602 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
84603 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
84604 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
84605 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
84606 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
84607 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
84608 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
84609 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
84610
84611 ! H --> HH
84612 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84613
84614 c1 = 1.0_dp/(zeta + zetb)
84615 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84616 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84617
84618 e_0_1_0 = zeta*( &
84619 +c2*e_0_0_0&
84620
84621 )
84622 e_1_1_0 = zeta*( c1*e_0_0_0 &
84623
84624
84625 )
84626 e_0_2_0 = zeta*( &
84627 +c2*e_0_1_0&
84628 +2*e_1_1_0 &
84629 -2*e_0_0_0)
84630 e_1_2_0 = zeta*( c1*e_0_1_0 &
84631 +c2*e_1_1_0&
84632
84633 )
84634 e_2_2_0 = zeta*( c1*e_1_1_0 &
84635
84636
84637 )
84638 e_0_3_0 = zeta*( &
84639 +c2*e_0_2_0&
84640 +2*e_1_2_0 &
84641 -4*e_0_1_0)
84642 e_1_3_0 = zeta*( c1*e_0_2_0 &
84643 +c2*e_1_2_0&
84644 +4*e_2_2_0 &
84645 -4*e_1_1_0)
84646 e_2_3_0 = zeta*( c1*e_1_2_0 &
84647 +c2*e_2_2_0&
84648
84649 )
84650 e_3_3_0 = zeta*( c1*e_2_2_0 &
84651
84652
84653 )
84654
84655 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84656 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84657 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84658 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84659 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84660 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84661 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84662 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84663 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84664 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84665 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84666 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84667 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84668 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84669 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84670 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84671 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84672 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84673 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84674 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84675 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84676 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84677 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84678 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84679 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84680 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84681 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84682 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84683 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84684 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84685 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
84686 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
84687 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
84688 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84689 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
84690 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
84691 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84692 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84693 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
84694 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
84695 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
84696 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
84697 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
84698 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84699 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
84700 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
84701 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84702 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84703 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
84704 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
84705 r1 = r1 + dr
84706 END DO
84707
84708 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84709 END SUBROUTINE
84710 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_0_exp_1 ( &
84711 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84712 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84713 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84714 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84715 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84716 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84717 r_pow_t, r_tmp, rr1_delta, rr2_delta
84718
84719 REAL(kind=dp) :: c1, c2, c3
84720 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
84721 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
84722 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84723 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
84724 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
84725 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
84726
84727 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84728
84729 dr = lgth
84730 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84731
84732 s_r(:, :, :) = 0.0_dp
84733
84734 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84735
84736 h_to_c_0_0 = sqrt(alpha/pi)
84737
84738 h_to_c_0_1 = 0.0_dp
84739 h_to_c_1_1 = +2*alpha*h_to_c_0_0
84740 h_to_c_0_2 = -1*h_to_c_1_1
84741 h_to_c_1_2 = +2*alpha*h_to_c_0_1
84742 h_to_c_2_2 = +2*alpha*h_to_c_1_1
84743 h_to_c_0_3 = -1*h_to_c_1_2
84744 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84745 h_to_c_2_3 = +2*alpha*h_to_c_1_2
84746 h_to_c_3_3 = +2*alpha*h_to_c_2_2
84747 h_to_c_0_4 = -1*h_to_c_1_3
84748 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84749 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84750 h_to_c_3_4 = +2*alpha*h_to_c_2_3
84751 h_to_c_4_4 = +2*alpha*h_to_c_3_3
84752
84753 exp_drsq = exp(-alpha*dr*dr)
84754 exp_2drsq = exp_drsq*exp_drsq
84755
84756 rr1_delta = (ra - rb)/dr
84757
84758 rr1_l = ceiling(-r_c(1) + rr1_delta)
84759 rr1_r = floor(r_c(1) + rr1_delta)
84760
84761 r1 = rr1_l*dr
84762
84763 alpha_e = zeta*zetb/(zeta + zetb)
84764
84765 DO rr1 = rr1_l, rr1_r
84766 s_r_t_0 = 0.0_dp
84767 s_r_t2_0 = 0.0_dp
84768 s_r_t_1 = 0.0_dp
84769 s_r_t2_1 = 0.0_dp
84770 s_r_t_2 = 0.0_dp
84771 s_r_t2_2 = 0.0_dp
84772 s_r_t_3 = 0.0_dp
84773 s_r_t2_3 = 0.0_dp
84774 s_r_t_4 = 0.0_dp
84775 s_r_t2_4 = 0.0_dp
84776 r_tmp = r_offset + r1*zeta/(zeta + zetb)
84777 rr2_delta = -r_tmp/dr
84778
84779 rr2_l = ceiling(-r_c(2) + rr2_delta)
84780 rr2_r = floor(r_c(2) + rr2_delta)
84781
84782 r = r_tmp + (rr2_l)*dr
84783
84784 exp2_2rdr = exp(-2*alpha*r*dr)
84785 exp2_rsq = exp(-alpha*r*r)
84786
84787 DO rr2 = rr2_l, rr2_r
84788 r_pow_t = 1.0_dp
84789 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84790 r_pow_t = r_pow_t*r
84791 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84792 r_pow_t = r_pow_t*r
84793 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84794 r_pow_t = r_pow_t*r
84795 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84796 r_pow_t = r_pow_t*r
84797 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84798
84799 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84800 exp2_2rdr = exp2_2rdr*exp_2drsq
84801 r = r + dr
84802 END DO
84803
84804 ! C --> H
84805 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84806 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84807 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84808 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84809 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84810 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84811 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84812 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84813 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84814 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84815 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84816 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84817 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84818 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84819 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84820
84821 ! H --> HH
84822 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84823
84824 c1 = 1.0_dp/(zeta + zetb)
84825 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84826 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84827
84828 e_0_1_0 = zeta*( &
84829 +c2*e_0_0_0&
84830
84831 )
84832 e_0_0_1 = zetb*( &
84833 +c3*e_0_0_0&
84834
84835 )
84836 e_1_1_0 = zeta*( c1*e_0_0_0 &
84837
84838
84839 )
84840 e_1_0_1 = zetb*( c1*e_0_0_0 &
84841
84842
84843 )
84844 e_0_2_0 = zeta*( &
84845 +c2*e_0_1_0&
84846 +2*e_1_1_0 &
84847 -2*e_0_0_0)
84848 e_0_1_1 = zetb*( &
84849 +c3*e_0_1_0&
84850 +2*e_1_1_0 &
84851 )
84852 e_1_2_0 = zeta*( c1*e_0_1_0 &
84853 +c2*e_1_1_0&
84854
84855 )
84856 e_1_1_1 = zetb*( c1*e_0_1_0 &
84857 +c3*e_1_1_0&
84858
84859 )
84860 e_2_2_0 = zeta*( c1*e_1_1_0 &
84861
84862
84863 )
84864 e_2_1_1 = zetb*( c1*e_1_1_0 &
84865
84866
84867 )
84868 e_0_3_0 = zeta*( &
84869 +c2*e_0_2_0&
84870 +2*e_1_2_0 &
84871 -4*e_0_1_0)
84872 e_0_2_1 = zetb*( &
84873 +c3*e_0_2_0&
84874 +2*e_1_2_0 &
84875 )
84876 e_1_3_0 = zeta*( c1*e_0_2_0 &
84877 +c2*e_1_2_0&
84878 +4*e_2_2_0 &
84879 -4*e_1_1_0)
84880 e_1_2_1 = zetb*( c1*e_0_2_0 &
84881 +c3*e_1_2_0&
84882 +4*e_2_2_0 &
84883 )
84884 e_2_3_0 = zeta*( c1*e_1_2_0 &
84885 +c2*e_2_2_0&
84886
84887 )
84888 e_2_2_1 = zetb*( c1*e_1_2_0 &
84889 +c3*e_2_2_0&
84890
84891 )
84892 e_3_3_0 = zeta*( c1*e_2_2_0 &
84893
84894
84895 )
84896 e_3_2_1 = zetb*( c1*e_2_2_0 &
84897
84898
84899 )
84900 e_0_3_1 = zetb*( &
84901 +c3*e_0_3_0&
84902 +2*e_1_3_0 &
84903 )
84904 e_1_3_1 = zetb*( c1*e_0_3_0 &
84905 +c3*e_1_3_0&
84906 +4*e_2_3_0 &
84907 )
84908 e_2_3_1 = zetb*( c1*e_1_3_0 &
84909 +c3*e_2_3_0&
84910 +6*e_3_3_0 &
84911 )
84912 e_3_3_1 = zetb*( c1*e_2_3_0 &
84913 +c3*e_3_3_0&
84914
84915 )
84916 e_4_3_1 = zetb*( c1*e_3_3_0 &
84917
84918
84919 )
84920 e_0_1_1 = zeta*( &
84921 +c2*e_0_0_1&
84922 +2*e_1_0_1 &
84923 )
84924 e_1_1_1 = zeta*( c1*e_0_0_1 &
84925 +c2*e_1_0_1&
84926
84927 )
84928 e_2_1_1 = zeta*( c1*e_1_0_1 &
84929
84930
84931 )
84932 e_0_2_1 = zeta*( &
84933 +c2*e_0_1_1&
84934 +2*e_1_1_1 &
84935 -2*e_0_0_1)
84936 e_1_2_1 = zeta*( c1*e_0_1_1 &
84937 +c2*e_1_1_1&
84938 +4*e_2_1_1 &
84939 -2*e_1_0_1)
84940 e_2_2_1 = zeta*( c1*e_1_1_1 &
84941 +c2*e_2_1_1&
84942
84943 )
84944 e_3_2_1 = zeta*( c1*e_2_1_1 &
84945
84946
84947 )
84948 e_0_3_1 = zeta*( &
84949 +c2*e_0_2_1&
84950 +2*e_1_2_1 &
84951 -4*e_0_1_1)
84952 e_1_3_1 = zeta*( c1*e_0_2_1 &
84953 +c2*e_1_2_1&
84954 +4*e_2_2_1 &
84955 -4*e_1_1_1)
84956 e_2_3_1 = zeta*( c1*e_1_2_1 &
84957 +c2*e_2_2_1&
84958 +6*e_3_2_1 &
84959 -4*e_2_1_1)
84960 e_3_3_1 = zeta*( c1*e_2_2_1 &
84961 +c2*e_3_2_1&
84962
84963 )
84964 e_4_3_1 = zeta*( c1*e_3_2_1 &
84965
84966
84967 )
84968
84969 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84970 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84971 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84972 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84973 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84974 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84975 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84976 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84977 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84978 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84979 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
84980 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
84981 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
84982 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
84983 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
84984 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
84985 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
84986 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
84987 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
84988 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
84989 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
84990 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
84991 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
84992 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
84993 r1 = r1 + dr
84994 END DO
84995
84996 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84997 END SUBROUTINE
84998 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_1_exp_1 ( &
84999 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85000 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85001 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85002 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85003 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85004 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85005 r_pow_t, r_tmp, rr1_delta, rr2_delta
85006
85007 REAL(kind=dp) :: c1, c2, c3
85008 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
85009 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
85010 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85011 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85012 & h_to_c_4_5, h_to_c_5_5
85013 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85014 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85015
85016 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85017
85018 dr = lgth
85019 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85020
85021 s_r(:, :, :) = 0.0_dp
85022
85023 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85024
85025 h_to_c_0_0 = sqrt(alpha/pi)
85026
85027 h_to_c_0_1 = 0.0_dp
85028 h_to_c_1_1 = +2*alpha*h_to_c_0_0
85029 h_to_c_0_2 = -1*h_to_c_1_1
85030 h_to_c_1_2 = +2*alpha*h_to_c_0_1
85031 h_to_c_2_2 = +2*alpha*h_to_c_1_1
85032 h_to_c_0_3 = -1*h_to_c_1_2
85033 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85034 h_to_c_2_3 = +2*alpha*h_to_c_1_2
85035 h_to_c_3_3 = +2*alpha*h_to_c_2_2
85036 h_to_c_0_4 = -1*h_to_c_1_3
85037 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85038 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85039 h_to_c_3_4 = +2*alpha*h_to_c_2_3
85040 h_to_c_4_4 = +2*alpha*h_to_c_3_3
85041 h_to_c_0_5 = -1*h_to_c_1_4
85042 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85043 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85044 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85045 h_to_c_4_5 = +2*alpha*h_to_c_3_4
85046 h_to_c_5_5 = +2*alpha*h_to_c_4_4
85047
85048 exp_drsq = exp(-alpha*dr*dr)
85049 exp_2drsq = exp_drsq*exp_drsq
85050
85051 rr1_delta = (ra - rb)/dr
85052
85053 rr1_l = ceiling(-r_c(1) + rr1_delta)
85054 rr1_r = floor(r_c(1) + rr1_delta)
85055
85056 r1 = rr1_l*dr
85057
85058 alpha_e = zeta*zetb/(zeta + zetb)
85059
85060 DO rr1 = rr1_l, rr1_r
85061 s_r_t_0 = 0.0_dp
85062 s_r_t2_0 = 0.0_dp
85063 s_r_t_1 = 0.0_dp
85064 s_r_t2_1 = 0.0_dp
85065 s_r_t_2 = 0.0_dp
85066 s_r_t2_2 = 0.0_dp
85067 s_r_t_3 = 0.0_dp
85068 s_r_t2_3 = 0.0_dp
85069 s_r_t_4 = 0.0_dp
85070 s_r_t2_4 = 0.0_dp
85071 s_r_t_5 = 0.0_dp
85072 s_r_t2_5 = 0.0_dp
85073 r_tmp = r_offset + r1*zeta/(zeta + zetb)
85074 rr2_delta = -r_tmp/dr
85075
85076 rr2_l = ceiling(-r_c(2) + rr2_delta)
85077 rr2_r = floor(r_c(2) + rr2_delta)
85078
85079 r = r_tmp + (rr2_l)*dr
85080
85081 exp2_2rdr = exp(-2*alpha*r*dr)
85082 exp2_rsq = exp(-alpha*r*r)
85083
85084 DO rr2 = rr2_l, rr2_r
85085 r_pow_t = 1.0_dp
85086 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85087 r_pow_t = r_pow_t*r
85088 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85089 r_pow_t = r_pow_t*r
85090 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85091 r_pow_t = r_pow_t*r
85092 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85093 r_pow_t = r_pow_t*r
85094 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85095 r_pow_t = r_pow_t*r
85096 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85097
85098 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85099 exp2_2rdr = exp2_2rdr*exp_2drsq
85100 r = r + dr
85101 END DO
85102
85103 ! C --> H
85104 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85105 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85106 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85107 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85108 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85109 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85110 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85111 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85112 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85113 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85114 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85115 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85116 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85117 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85118 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85119 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85120 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85121 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85122 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85123 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85124 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85125
85126 ! H --> HH
85127 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85128
85129 c1 = 1.0_dp/(zeta + zetb)
85130 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85131 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85132
85133 e_0_1_0 = zeta*( &
85134 +c2*e_0_0_0&
85135
85136 )
85137 e_0_0_1 = zetb*( &
85138 +c3*e_0_0_0&
85139
85140 )
85141 e_1_1_0 = zeta*( c1*e_0_0_0 &
85142
85143
85144 )
85145 e_1_0_1 = zetb*( c1*e_0_0_0 &
85146
85147
85148 )
85149 e_0_2_0 = zeta*( &
85150 +c2*e_0_1_0&
85151 +2*e_1_1_0 &
85152 -2*e_0_0_0)
85153 e_0_1_1 = zetb*( &
85154 +c3*e_0_1_0&
85155 +2*e_1_1_0 &
85156 )
85157 e_1_2_0 = zeta*( c1*e_0_1_0 &
85158 +c2*e_1_1_0&
85159
85160 )
85161 e_1_1_1 = zetb*( c1*e_0_1_0 &
85162 +c3*e_1_1_0&
85163
85164 )
85165 e_2_2_0 = zeta*( c1*e_1_1_0 &
85166
85167
85168 )
85169 e_2_1_1 = zetb*( c1*e_1_1_0 &
85170
85171
85172 )
85173 e_0_3_0 = zeta*( &
85174 +c2*e_0_2_0&
85175 +2*e_1_2_0 &
85176 -4*e_0_1_0)
85177 e_0_2_1 = zetb*( &
85178 +c3*e_0_2_0&
85179 +2*e_1_2_0 &
85180 )
85181 e_1_3_0 = zeta*( c1*e_0_2_0 &
85182 +c2*e_1_2_0&
85183 +4*e_2_2_0 &
85184 -4*e_1_1_0)
85185 e_1_2_1 = zetb*( c1*e_0_2_0 &
85186 +c3*e_1_2_0&
85187 +4*e_2_2_0 &
85188 )
85189 e_2_3_0 = zeta*( c1*e_1_2_0 &
85190 +c2*e_2_2_0&
85191
85192 )
85193 e_2_2_1 = zetb*( c1*e_1_2_0 &
85194 +c3*e_2_2_0&
85195
85196 )
85197 e_3_3_0 = zeta*( c1*e_2_2_0 &
85198
85199
85200 )
85201 e_3_2_1 = zetb*( c1*e_2_2_0 &
85202
85203
85204 )
85205 e_0_3_1 = zetb*( &
85206 +c3*e_0_3_0&
85207 +2*e_1_3_0 &
85208 )
85209 e_1_3_1 = zetb*( c1*e_0_3_0 &
85210 +c3*e_1_3_0&
85211 +4*e_2_3_0 &
85212 )
85213 e_2_3_1 = zetb*( c1*e_1_3_0 &
85214 +c3*e_2_3_0&
85215 +6*e_3_3_0 &
85216 )
85217 e_3_3_1 = zetb*( c1*e_2_3_0 &
85218 +c3*e_3_3_0&
85219
85220 )
85221 e_4_3_1 = zetb*( c1*e_3_3_0 &
85222
85223
85224 )
85225 e_0_1_1 = zeta*( &
85226 +c2*e_0_0_1&
85227 +2*e_1_0_1 &
85228 )
85229 e_1_1_1 = zeta*( c1*e_0_0_1 &
85230 +c2*e_1_0_1&
85231
85232 )
85233 e_2_1_1 = zeta*( c1*e_1_0_1 &
85234
85235
85236 )
85237 e_0_2_1 = zeta*( &
85238 +c2*e_0_1_1&
85239 +2*e_1_1_1 &
85240 -2*e_0_0_1)
85241 e_1_2_1 = zeta*( c1*e_0_1_1 &
85242 +c2*e_1_1_1&
85243 +4*e_2_1_1 &
85244 -2*e_1_0_1)
85245 e_2_2_1 = zeta*( c1*e_1_1_1 &
85246 +c2*e_2_1_1&
85247
85248 )
85249 e_3_2_1 = zeta*( c1*e_2_1_1 &
85250
85251
85252 )
85253 e_0_3_1 = zeta*( &
85254 +c2*e_0_2_1&
85255 +2*e_1_2_1 &
85256 -4*e_0_1_1)
85257 e_1_3_1 = zeta*( c1*e_0_2_1 &
85258 +c2*e_1_2_1&
85259 +4*e_2_2_1 &
85260 -4*e_1_1_1)
85261 e_2_3_1 = zeta*( c1*e_1_2_1 &
85262 +c2*e_2_2_1&
85263 +6*e_3_2_1 &
85264 -4*e_2_1_1)
85265 e_3_3_1 = zeta*( c1*e_2_2_1 &
85266 +c2*e_3_2_1&
85267
85268 )
85269 e_4_3_1 = zeta*( c1*e_3_2_1 &
85270
85271
85272 )
85273
85274 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
85275 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
85276 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
85277 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
85278 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
85279 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85280 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
85281 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
85282 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85283 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85284 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
85285 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
85286 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
85287 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
85288 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85289 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
85290 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
85291 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85292 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85293 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
85294 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
85295 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85296 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85297 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85298 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
85299 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
85300 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
85301 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
85302 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
85303 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
85304 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
85305 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
85306 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
85307 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
85308 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
85309 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
85310 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
85311 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
85312 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
85313 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
85314 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
85315 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
85316 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
85317 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
85318 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
85319 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
85320 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
85321 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
85322 r1 = r1 + dr
85323 END DO
85324
85325 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
85326 END SUBROUTINE
85327 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_2_exp_1 ( &
85328 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85329 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85330 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85331 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85332 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85333 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85334 r_pow_t, r_tmp, rr1_delta, rr2_delta
85335
85336 REAL(kind=dp) :: c1, c2, c3
85337 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
85338 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
85339 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85340 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85341 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
85342 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85343 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85344
85345 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85346
85347 dr = lgth
85348 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85349
85350 s_r(:, :, :) = 0.0_dp
85351
85352 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85353
85354 h_to_c_0_0 = sqrt(alpha/pi)
85355
85356 h_to_c_0_1 = 0.0_dp
85357 h_to_c_1_1 = +2*alpha*h_to_c_0_0
85358 h_to_c_0_2 = -1*h_to_c_1_1
85359 h_to_c_1_2 = +2*alpha*h_to_c_0_1
85360 h_to_c_2_2 = +2*alpha*h_to_c_1_1
85361 h_to_c_0_3 = -1*h_to_c_1_2
85362 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85363 h_to_c_2_3 = +2*alpha*h_to_c_1_2
85364 h_to_c_3_3 = +2*alpha*h_to_c_2_2
85365 h_to_c_0_4 = -1*h_to_c_1_3
85366 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85367 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85368 h_to_c_3_4 = +2*alpha*h_to_c_2_3
85369 h_to_c_4_4 = +2*alpha*h_to_c_3_3
85370 h_to_c_0_5 = -1*h_to_c_1_4
85371 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85372 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85373 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85374 h_to_c_4_5 = +2*alpha*h_to_c_3_4
85375 h_to_c_5_5 = +2*alpha*h_to_c_4_4
85376 h_to_c_0_6 = -1*h_to_c_1_5
85377 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
85378 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
85379 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
85380 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
85381 h_to_c_5_6 = +2*alpha*h_to_c_4_5
85382 h_to_c_6_6 = +2*alpha*h_to_c_5_5
85383
85384 exp_drsq = exp(-alpha*dr*dr)
85385 exp_2drsq = exp_drsq*exp_drsq
85386
85387 rr1_delta = (ra - rb)/dr
85388
85389 rr1_l = ceiling(-r_c(1) + rr1_delta)
85390 rr1_r = floor(r_c(1) + rr1_delta)
85391
85392 r1 = rr1_l*dr
85393
85394 alpha_e = zeta*zetb/(zeta + zetb)
85395
85396 DO rr1 = rr1_l, rr1_r
85397 s_r_t_0 = 0.0_dp
85398 s_r_t2_0 = 0.0_dp
85399 s_r_t_1 = 0.0_dp
85400 s_r_t2_1 = 0.0_dp
85401 s_r_t_2 = 0.0_dp
85402 s_r_t2_2 = 0.0_dp
85403 s_r_t_3 = 0.0_dp
85404 s_r_t2_3 = 0.0_dp
85405 s_r_t_4 = 0.0_dp
85406 s_r_t2_4 = 0.0_dp
85407 s_r_t_5 = 0.0_dp
85408 s_r_t2_5 = 0.0_dp
85409 s_r_t_6 = 0.0_dp
85410 s_r_t2_6 = 0.0_dp
85411 r_tmp = r_offset + r1*zeta/(zeta + zetb)
85412 rr2_delta = -r_tmp/dr
85413
85414 rr2_l = ceiling(-r_c(2) + rr2_delta)
85415 rr2_r = floor(r_c(2) + rr2_delta)
85416
85417 r = r_tmp + (rr2_l)*dr
85418
85419 exp2_2rdr = exp(-2*alpha*r*dr)
85420 exp2_rsq = exp(-alpha*r*r)
85421
85422 DO rr2 = rr2_l, rr2_r
85423 r_pow_t = 1.0_dp
85424 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85425 r_pow_t = r_pow_t*r
85426 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85427 r_pow_t = r_pow_t*r
85428 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85429 r_pow_t = r_pow_t*r
85430 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85431 r_pow_t = r_pow_t*r
85432 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85433 r_pow_t = r_pow_t*r
85434 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85435 r_pow_t = r_pow_t*r
85436 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
85437
85438 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85439 exp2_2rdr = exp2_2rdr*exp_2drsq
85440 r = r + dr
85441 END DO
85442
85443 ! C --> H
85444 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85445 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85446 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85447 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85448 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85449 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85450 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85451 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85452 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85453 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85454 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85455 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85456 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85457 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85458 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85459 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85460 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85461 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85462 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85463 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85464 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85465 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
85466 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
85467 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
85468 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
85469 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
85470 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
85471 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
85472
85473 ! H --> HH
85474 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85475
85476 c1 = 1.0_dp/(zeta + zetb)
85477 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85478 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85479
85480 e_0_1_0 = zeta*( &
85481 +c2*e_0_0_0&
85482
85483 )
85484 e_0_0_1 = zetb*( &
85485 +c3*e_0_0_0&
85486
85487 )
85488 e_1_1_0 = zeta*( c1*e_0_0_0 &
85489
85490
85491 )
85492 e_1_0_1 = zetb*( c1*e_0_0_0 &
85493
85494
85495 )
85496 e_0_2_0 = zeta*( &
85497 +c2*e_0_1_0&
85498 +2*e_1_1_0 &
85499 -2*e_0_0_0)
85500 e_0_1_1 = zetb*( &
85501 +c3*e_0_1_0&
85502 +2*e_1_1_0 &
85503 )
85504 e_1_2_0 = zeta*( c1*e_0_1_0 &
85505 +c2*e_1_1_0&
85506
85507 )
85508 e_1_1_1 = zetb*( c1*e_0_1_0 &
85509 +c3*e_1_1_0&
85510
85511 )
85512 e_2_2_0 = zeta*( c1*e_1_1_0 &
85513
85514
85515 )
85516 e_2_1_1 = zetb*( c1*e_1_1_0 &
85517
85518
85519 )
85520 e_0_3_0 = zeta*( &
85521 +c2*e_0_2_0&
85522 +2*e_1_2_0 &
85523 -4*e_0_1_0)
85524 e_0_2_1 = zetb*( &
85525 +c3*e_0_2_0&
85526 +2*e_1_2_0 &
85527 )
85528 e_1_3_0 = zeta*( c1*e_0_2_0 &
85529 +c2*e_1_2_0&
85530 +4*e_2_2_0 &
85531 -4*e_1_1_0)
85532 e_1_2_1 = zetb*( c1*e_0_2_0 &
85533 +c3*e_1_2_0&
85534 +4*e_2_2_0 &
85535 )
85536 e_2_3_0 = zeta*( c1*e_1_2_0 &
85537 +c2*e_2_2_0&
85538
85539 )
85540 e_2_2_1 = zetb*( c1*e_1_2_0 &
85541 +c3*e_2_2_0&
85542
85543 )
85544 e_3_3_0 = zeta*( c1*e_2_2_0 &
85545
85546
85547 )
85548 e_3_2_1 = zetb*( c1*e_2_2_0 &
85549
85550
85551 )
85552 e_0_3_1 = zetb*( &
85553 +c3*e_0_3_0&
85554 +2*e_1_3_0 &
85555 )
85556 e_1_3_1 = zetb*( c1*e_0_3_0 &
85557 +c3*e_1_3_0&
85558 +4*e_2_3_0 &
85559 )
85560 e_2_3_1 = zetb*( c1*e_1_3_0 &
85561 +c3*e_2_3_0&
85562 +6*e_3_3_0 &
85563 )
85564 e_3_3_1 = zetb*( c1*e_2_3_0 &
85565 +c3*e_3_3_0&
85566
85567 )
85568 e_4_3_1 = zetb*( c1*e_3_3_0 &
85569
85570
85571 )
85572 e_0_1_1 = zeta*( &
85573 +c2*e_0_0_1&
85574 +2*e_1_0_1 &
85575 )
85576 e_1_1_1 = zeta*( c1*e_0_0_1 &
85577 +c2*e_1_0_1&
85578
85579 )
85580 e_2_1_1 = zeta*( c1*e_1_0_1 &
85581
85582
85583 )
85584 e_0_2_1 = zeta*( &
85585 +c2*e_0_1_1&
85586 +2*e_1_1_1 &
85587 -2*e_0_0_1)
85588 e_1_2_1 = zeta*( c1*e_0_1_1 &
85589 +c2*e_1_1_1&
85590 +4*e_2_1_1 &
85591 -2*e_1_0_1)
85592 e_2_2_1 = zeta*( c1*e_1_1_1 &
85593 +c2*e_2_1_1&
85594
85595 )
85596 e_3_2_1 = zeta*( c1*e_2_1_1 &
85597
85598
85599 )
85600 e_0_3_1 = zeta*( &
85601 +c2*e_0_2_1&
85602 +2*e_1_2_1 &
85603 -4*e_0_1_1)
85604 e_1_3_1 = zeta*( c1*e_0_2_1 &
85605 +c2*e_1_2_1&
85606 +4*e_2_2_1 &
85607 -4*e_1_1_1)
85608 e_2_3_1 = zeta*( c1*e_1_2_1 &
85609 +c2*e_2_2_1&
85610 +6*e_3_2_1 &
85611 -4*e_2_1_1)
85612 e_3_3_1 = zeta*( c1*e_2_2_1 &
85613 +c2*e_3_2_1&
85614
85615 )
85616 e_4_3_1 = zeta*( c1*e_3_2_1 &
85617
85618
85619 )
85620
85621 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
85622 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
85623 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
85624 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
85625 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
85626 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85627 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
85628 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
85629 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85630 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85631 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
85632 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
85633 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
85634 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
85635 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85636 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
85637 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
85638 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85639 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85640 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
85641 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
85642 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85643 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85644 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85645 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
85646 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
85647 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
85648 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
85649 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
85650 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
85651 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
85652 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
85653 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
85654 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
85655 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
85656 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
85657 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
85658 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
85659 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
85660 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
85661 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
85662 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
85663 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
85664 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
85665 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
85666 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
85667 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
85668 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
85669 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
85670 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
85671 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
85672 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85673 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
85674 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
85675 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85676 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85677 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
85678 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
85679 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
85680 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
85681 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85682 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
85683 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
85684 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85685 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85686 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
85687 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
85688 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85689 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85690 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85691 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
85692 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
85693 r1 = r1 + dr
85694 END DO
85695
85696 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
85697 END SUBROUTINE
85698 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_3_exp_1 ( &
85699 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85700 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85701 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85702 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85703 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85704 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85705 r_pow_t, r_tmp, rr1_delta, rr2_delta
85706
85707 REAL(kind=dp) :: c1, c2, c3
85708 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
85709 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
85710 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85711 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85712 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
85713 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
85714 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85715 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85716
85717 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85718
85719 dr = lgth
85720 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85721
85722 s_r(:, :, :) = 0.0_dp
85723
85724 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85725
85726 h_to_c_0_0 = sqrt(alpha/pi)
85727
85728 h_to_c_0_1 = 0.0_dp
85729 h_to_c_1_1 = +2*alpha*h_to_c_0_0
85730 h_to_c_0_2 = -1*h_to_c_1_1
85731 h_to_c_1_2 = +2*alpha*h_to_c_0_1
85732 h_to_c_2_2 = +2*alpha*h_to_c_1_1
85733 h_to_c_0_3 = -1*h_to_c_1_2
85734 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85735 h_to_c_2_3 = +2*alpha*h_to_c_1_2
85736 h_to_c_3_3 = +2*alpha*h_to_c_2_2
85737 h_to_c_0_4 = -1*h_to_c_1_3
85738 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85739 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85740 h_to_c_3_4 = +2*alpha*h_to_c_2_3
85741 h_to_c_4_4 = +2*alpha*h_to_c_3_3
85742 h_to_c_0_5 = -1*h_to_c_1_4
85743 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85744 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85745 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85746 h_to_c_4_5 = +2*alpha*h_to_c_3_4
85747 h_to_c_5_5 = +2*alpha*h_to_c_4_4
85748 h_to_c_0_6 = -1*h_to_c_1_5
85749 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
85750 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
85751 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
85752 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
85753 h_to_c_5_6 = +2*alpha*h_to_c_4_5
85754 h_to_c_6_6 = +2*alpha*h_to_c_5_5
85755 h_to_c_0_7 = -1*h_to_c_1_6
85756 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
85757 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
85758 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
85759 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
85760 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
85761 h_to_c_6_7 = +2*alpha*h_to_c_5_6
85762 h_to_c_7_7 = +2*alpha*h_to_c_6_6
85763
85764 exp_drsq = exp(-alpha*dr*dr)
85765 exp_2drsq = exp_drsq*exp_drsq
85766
85767 rr1_delta = (ra - rb)/dr
85768
85769 rr1_l = ceiling(-r_c(1) + rr1_delta)
85770 rr1_r = floor(r_c(1) + rr1_delta)
85771
85772 r1 = rr1_l*dr
85773
85774 alpha_e = zeta*zetb/(zeta + zetb)
85775
85776 DO rr1 = rr1_l, rr1_r
85777 s_r_t_0 = 0.0_dp
85778 s_r_t2_0 = 0.0_dp
85779 s_r_t_1 = 0.0_dp
85780 s_r_t2_1 = 0.0_dp
85781 s_r_t_2 = 0.0_dp
85782 s_r_t2_2 = 0.0_dp
85783 s_r_t_3 = 0.0_dp
85784 s_r_t2_3 = 0.0_dp
85785 s_r_t_4 = 0.0_dp
85786 s_r_t2_4 = 0.0_dp
85787 s_r_t_5 = 0.0_dp
85788 s_r_t2_5 = 0.0_dp
85789 s_r_t_6 = 0.0_dp
85790 s_r_t2_6 = 0.0_dp
85791 s_r_t_7 = 0.0_dp
85792 s_r_t2_7 = 0.0_dp
85793 r_tmp = r_offset + r1*zeta/(zeta + zetb)
85794 rr2_delta = -r_tmp/dr
85795
85796 rr2_l = ceiling(-r_c(2) + rr2_delta)
85797 rr2_r = floor(r_c(2) + rr2_delta)
85798
85799 r = r_tmp + (rr2_l)*dr
85800
85801 exp2_2rdr = exp(-2*alpha*r*dr)
85802 exp2_rsq = exp(-alpha*r*r)
85803
85804 DO rr2 = rr2_l, rr2_r
85805 r_pow_t = 1.0_dp
85806 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85807 r_pow_t = r_pow_t*r
85808 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85809 r_pow_t = r_pow_t*r
85810 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85811 r_pow_t = r_pow_t*r
85812 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85813 r_pow_t = r_pow_t*r
85814 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85815 r_pow_t = r_pow_t*r
85816 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85817 r_pow_t = r_pow_t*r
85818 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
85819 r_pow_t = r_pow_t*r
85820 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
85821
85822 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85823 exp2_2rdr = exp2_2rdr*exp_2drsq
85824 r = r + dr
85825 END DO
85826
85827 ! C --> H
85828 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85829 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85830 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85831 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85832 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85833 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85834 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85835 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85836 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85837 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85838 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85839 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85840 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85841 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85842 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85843 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85844 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85845 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85846 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85847 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85848 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85849 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
85850 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
85851 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
85852 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
85853 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
85854 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
85855 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
85856 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
85857 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
85858 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
85859 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
85860 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
85861 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
85862 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
85863 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
85864
85865 ! H --> HH
85866 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85867
85868 c1 = 1.0_dp/(zeta + zetb)
85869 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85870 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85871
85872 e_0_1_0 = zeta*( &
85873 +c2*e_0_0_0&
85874
85875 )
85876 e_0_0_1 = zetb*( &
85877 +c3*e_0_0_0&
85878
85879 )
85880 e_1_1_0 = zeta*( c1*e_0_0_0 &
85881
85882
85883 )
85884 e_1_0_1 = zetb*( c1*e_0_0_0 &
85885
85886
85887 )
85888 e_0_2_0 = zeta*( &
85889 +c2*e_0_1_0&
85890 +2*e_1_1_0 &
85891 -2*e_0_0_0)
85892 e_0_1_1 = zetb*( &
85893 +c3*e_0_1_0&
85894 +2*e_1_1_0 &
85895 )
85896 e_1_2_0 = zeta*( c1*e_0_1_0 &
85897 +c2*e_1_1_0&
85898
85899 )
85900 e_1_1_1 = zetb*( c1*e_0_1_0 &
85901 +c3*e_1_1_0&
85902
85903 )
85904 e_2_2_0 = zeta*( c1*e_1_1_0 &
85905
85906
85907 )
85908 e_2_1_1 = zetb*( c1*e_1_1_0 &
85909
85910
85911 )
85912 e_0_3_0 = zeta*( &
85913 +c2*e_0_2_0&
85914 +2*e_1_2_0 &
85915 -4*e_0_1_0)
85916 e_0_2_1 = zetb*( &
85917 +c3*e_0_2_0&
85918 +2*e_1_2_0 &
85919 )
85920 e_1_3_0 = zeta*( c1*e_0_2_0 &
85921 +c2*e_1_2_0&
85922 +4*e_2_2_0 &
85923 -4*e_1_1_0)
85924 e_1_2_1 = zetb*( c1*e_0_2_0 &
85925 +c3*e_1_2_0&
85926 +4*e_2_2_0 &
85927 )
85928 e_2_3_0 = zeta*( c1*e_1_2_0 &
85929 +c2*e_2_2_0&
85930
85931 )
85932 e_2_2_1 = zetb*( c1*e_1_2_0 &
85933 +c3*e_2_2_0&
85934
85935 )
85936 e_3_3_0 = zeta*( c1*e_2_2_0 &
85937
85938
85939 )
85940 e_3_2_1 = zetb*( c1*e_2_2_0 &
85941
85942
85943 )
85944 e_0_3_1 = zetb*( &
85945 +c3*e_0_3_0&
85946 +2*e_1_3_0 &
85947 )
85948 e_1_3_1 = zetb*( c1*e_0_3_0 &
85949 +c3*e_1_3_0&
85950 +4*e_2_3_0 &
85951 )
85952 e_2_3_1 = zetb*( c1*e_1_3_0 &
85953 +c3*e_2_3_0&
85954 +6*e_3_3_0 &
85955 )
85956 e_3_3_1 = zetb*( c1*e_2_3_0 &
85957 +c3*e_3_3_0&
85958
85959 )
85960 e_4_3_1 = zetb*( c1*e_3_3_0 &
85961
85962
85963 )
85964 e_0_1_1 = zeta*( &
85965 +c2*e_0_0_1&
85966 +2*e_1_0_1 &
85967 )
85968 e_1_1_1 = zeta*( c1*e_0_0_1 &
85969 +c2*e_1_0_1&
85970
85971 )
85972 e_2_1_1 = zeta*( c1*e_1_0_1 &
85973
85974
85975 )
85976 e_0_2_1 = zeta*( &
85977 +c2*e_0_1_1&
85978 +2*e_1_1_1 &
85979 -2*e_0_0_1)
85980 e_1_2_1 = zeta*( c1*e_0_1_1 &
85981 +c2*e_1_1_1&
85982 +4*e_2_1_1 &
85983 -2*e_1_0_1)
85984 e_2_2_1 = zeta*( c1*e_1_1_1 &
85985 +c2*e_2_1_1&
85986
85987 )
85988 e_3_2_1 = zeta*( c1*e_2_1_1 &
85989
85990
85991 )
85992 e_0_3_1 = zeta*( &
85993 +c2*e_0_2_1&
85994 +2*e_1_2_1 &
85995 -4*e_0_1_1)
85996 e_1_3_1 = zeta*( c1*e_0_2_1 &
85997 +c2*e_1_2_1&
85998 +4*e_2_2_1 &
85999 -4*e_1_1_1)
86000 e_2_3_1 = zeta*( c1*e_1_2_1 &
86001 +c2*e_2_2_1&
86002 +6*e_3_2_1 &
86003 -4*e_2_1_1)
86004 e_3_3_1 = zeta*( c1*e_2_2_1 &
86005 +c2*e_3_2_1&
86006
86007 )
86008 e_4_3_1 = zeta*( c1*e_3_2_1 &
86009
86010
86011 )
86012
86013 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86014 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86015 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86016 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86017 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86018 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86019 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86020 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86021 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86022 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86023 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86024 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86025 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
86026 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
86027 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86028 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
86029 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
86030 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86031 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86032 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
86033 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
86034 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86035 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86036 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86037 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
86038 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
86039 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
86040 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
86041 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
86042 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86043 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
86044 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
86045 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86046 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86047 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
86048 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
86049 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
86050 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
86051 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86052 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
86053 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
86054 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86055 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86056 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
86057 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
86058 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86059 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86060 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86061 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
86062 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
86063 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
86064 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86065 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
86066 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86067 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86068 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86069 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86070 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86071 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
86072 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
86073 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86074 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
86075 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86076 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86077 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86078 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86079 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86080 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86081 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86082 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86083 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86084 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86085 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
86086 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
86087 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
86088 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86089 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
86090 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
86091 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86092 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86093 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
86094 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
86095 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
86096 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
86097 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86098 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
86099 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
86100 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86101 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86102 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
86103 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
86104 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86105 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86106 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86107 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
86108 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
86109 r1 = r1 + dr
86110 END DO
86111
86112 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
86113 END SUBROUTINE
86114 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_4_exp_1 ( &
86115 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
86116 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
86117 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
86118 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
86119 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
86120 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
86121 r_pow_t, r_tmp, rr1_delta, rr2_delta
86122
86123 REAL(kind=dp) :: c1, c2, c3
86124 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
86125 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
86126 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
86127 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
86128 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
86129 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
86130 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
86131 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
86132 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
86133
86134 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
86135
86136 dr = lgth
86137 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
86138
86139 s_r(:, :, :) = 0.0_dp
86140
86141 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
86142
86143 h_to_c_0_0 = sqrt(alpha/pi)
86144
86145 h_to_c_0_1 = 0.0_dp
86146 h_to_c_1_1 = +2*alpha*h_to_c_0_0
86147 h_to_c_0_2 = -1*h_to_c_1_1
86148 h_to_c_1_2 = +2*alpha*h_to_c_0_1
86149 h_to_c_2_2 = +2*alpha*h_to_c_1_1
86150 h_to_c_0_3 = -1*h_to_c_1_2
86151 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
86152 h_to_c_2_3 = +2*alpha*h_to_c_1_2
86153 h_to_c_3_3 = +2*alpha*h_to_c_2_2
86154 h_to_c_0_4 = -1*h_to_c_1_3
86155 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
86156 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
86157 h_to_c_3_4 = +2*alpha*h_to_c_2_3
86158 h_to_c_4_4 = +2*alpha*h_to_c_3_3
86159 h_to_c_0_5 = -1*h_to_c_1_4
86160 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
86161 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
86162 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
86163 h_to_c_4_5 = +2*alpha*h_to_c_3_4
86164 h_to_c_5_5 = +2*alpha*h_to_c_4_4
86165 h_to_c_0_6 = -1*h_to_c_1_5
86166 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
86167 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
86168 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
86169 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
86170 h_to_c_5_6 = +2*alpha*h_to_c_4_5
86171 h_to_c_6_6 = +2*alpha*h_to_c_5_5
86172 h_to_c_0_7 = -1*h_to_c_1_6
86173 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
86174 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
86175 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
86176 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
86177 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
86178 h_to_c_6_7 = +2*alpha*h_to_c_5_6
86179 h_to_c_7_7 = +2*alpha*h_to_c_6_6
86180 h_to_c_0_8 = -1*h_to_c_1_7
86181 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
86182 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
86183 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
86184 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
86185 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
86186 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
86187 h_to_c_7_8 = +2*alpha*h_to_c_6_7
86188 h_to_c_8_8 = +2*alpha*h_to_c_7_7
86189
86190 exp_drsq = exp(-alpha*dr*dr)
86191 exp_2drsq = exp_drsq*exp_drsq
86192
86193 rr1_delta = (ra - rb)/dr
86194
86195 rr1_l = ceiling(-r_c(1) + rr1_delta)
86196 rr1_r = floor(r_c(1) + rr1_delta)
86197
86198 r1 = rr1_l*dr
86199
86200 alpha_e = zeta*zetb/(zeta + zetb)
86201
86202 DO rr1 = rr1_l, rr1_r
86203 s_r_t_0 = 0.0_dp
86204 s_r_t2_0 = 0.0_dp
86205 s_r_t_1 = 0.0_dp
86206 s_r_t2_1 = 0.0_dp
86207 s_r_t_2 = 0.0_dp
86208 s_r_t2_2 = 0.0_dp
86209 s_r_t_3 = 0.0_dp
86210 s_r_t2_3 = 0.0_dp
86211 s_r_t_4 = 0.0_dp
86212 s_r_t2_4 = 0.0_dp
86213 s_r_t_5 = 0.0_dp
86214 s_r_t2_5 = 0.0_dp
86215 s_r_t_6 = 0.0_dp
86216 s_r_t2_6 = 0.0_dp
86217 s_r_t_7 = 0.0_dp
86218 s_r_t2_7 = 0.0_dp
86219 s_r_t_8 = 0.0_dp
86220 s_r_t2_8 = 0.0_dp
86221 r_tmp = r_offset + r1*zeta/(zeta + zetb)
86222 rr2_delta = -r_tmp/dr
86223
86224 rr2_l = ceiling(-r_c(2) + rr2_delta)
86225 rr2_r = floor(r_c(2) + rr2_delta)
86226
86227 r = r_tmp + (rr2_l)*dr
86228
86229 exp2_2rdr = exp(-2*alpha*r*dr)
86230 exp2_rsq = exp(-alpha*r*r)
86231
86232 DO rr2 = rr2_l, rr2_r
86233 r_pow_t = 1.0_dp
86234 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
86235 r_pow_t = r_pow_t*r
86236 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
86237 r_pow_t = r_pow_t*r
86238 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
86239 r_pow_t = r_pow_t*r
86240 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
86241 r_pow_t = r_pow_t*r
86242 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
86243 r_pow_t = r_pow_t*r
86244 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
86245 r_pow_t = r_pow_t*r
86246 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
86247 r_pow_t = r_pow_t*r
86248 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
86249 r_pow_t = r_pow_t*r
86250 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
86251
86252 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
86253 exp2_2rdr = exp2_2rdr*exp_2drsq
86254 r = r + dr
86255 END DO
86256
86257 ! C --> H
86258 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
86259 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
86260 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
86261 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
86262 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
86263 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
86264 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
86265 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
86266 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
86267 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
86268 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
86269 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
86270 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
86271 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
86272 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
86273 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
86274 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
86275 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
86276 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
86277 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
86278 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
86279 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
86280 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
86281 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
86282 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
86283 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
86284 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
86285 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
86286 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
86287 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
86288 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
86289 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
86290 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
86291 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
86292 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
86293 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
86294 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
86295 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
86296 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
86297 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
86298 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
86299 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
86300 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
86301 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
86302 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
86303
86304 ! H --> HH
86305 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
86306
86307 c1 = 1.0_dp/(zeta + zetb)
86308 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
86309 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
86310
86311 e_0_1_0 = zeta*( &
86312 +c2*e_0_0_0&
86313
86314 )
86315 e_0_0_1 = zetb*( &
86316 +c3*e_0_0_0&
86317
86318 )
86319 e_1_1_0 = zeta*( c1*e_0_0_0 &
86320
86321
86322 )
86323 e_1_0_1 = zetb*( c1*e_0_0_0 &
86324
86325
86326 )
86327 e_0_2_0 = zeta*( &
86328 +c2*e_0_1_0&
86329 +2*e_1_1_0 &
86330 -2*e_0_0_0)
86331 e_0_1_1 = zetb*( &
86332 +c3*e_0_1_0&
86333 +2*e_1_1_0 &
86334 )
86335 e_1_2_0 = zeta*( c1*e_0_1_0 &
86336 +c2*e_1_1_0&
86337
86338 )
86339 e_1_1_1 = zetb*( c1*e_0_1_0 &
86340 +c3*e_1_1_0&
86341
86342 )
86343 e_2_2_0 = zeta*( c1*e_1_1_0 &
86344
86345
86346 )
86347 e_2_1_1 = zetb*( c1*e_1_1_0 &
86348
86349
86350 )
86351 e_0_3_0 = zeta*( &
86352 +c2*e_0_2_0&
86353 +2*e_1_2_0 &
86354 -4*e_0_1_0)
86355 e_0_2_1 = zetb*( &
86356 +c3*e_0_2_0&
86357 +2*e_1_2_0 &
86358 )
86359 e_1_3_0 = zeta*( c1*e_0_2_0 &
86360 +c2*e_1_2_0&
86361 +4*e_2_2_0 &
86362 -4*e_1_1_0)
86363 e_1_2_1 = zetb*( c1*e_0_2_0 &
86364 +c3*e_1_2_0&
86365 +4*e_2_2_0 &
86366 )
86367 e_2_3_0 = zeta*( c1*e_1_2_0 &
86368 +c2*e_2_2_0&
86369
86370 )
86371 e_2_2_1 = zetb*( c1*e_1_2_0 &
86372 +c3*e_2_2_0&
86373
86374 )
86375 e_3_3_0 = zeta*( c1*e_2_2_0 &
86376
86377
86378 )
86379 e_3_2_1 = zetb*( c1*e_2_2_0 &
86380
86381
86382 )
86383 e_0_3_1 = zetb*( &
86384 +c3*e_0_3_0&
86385 +2*e_1_3_0 &
86386 )
86387 e_1_3_1 = zetb*( c1*e_0_3_0 &
86388 +c3*e_1_3_0&
86389 +4*e_2_3_0 &
86390 )
86391 e_2_3_1 = zetb*( c1*e_1_3_0 &
86392 +c3*e_2_3_0&
86393 +6*e_3_3_0 &
86394 )
86395 e_3_3_1 = zetb*( c1*e_2_3_0 &
86396 +c3*e_3_3_0&
86397
86398 )
86399 e_4_3_1 = zetb*( c1*e_3_3_0 &
86400
86401
86402 )
86403 e_0_1_1 = zeta*( &
86404 +c2*e_0_0_1&
86405 +2*e_1_0_1 &
86406 )
86407 e_1_1_1 = zeta*( c1*e_0_0_1 &
86408 +c2*e_1_0_1&
86409
86410 )
86411 e_2_1_1 = zeta*( c1*e_1_0_1 &
86412
86413
86414 )
86415 e_0_2_1 = zeta*( &
86416 +c2*e_0_1_1&
86417 +2*e_1_1_1 &
86418 -2*e_0_0_1)
86419 e_1_2_1 = zeta*( c1*e_0_1_1 &
86420 +c2*e_1_1_1&
86421 +4*e_2_1_1 &
86422 -2*e_1_0_1)
86423 e_2_2_1 = zeta*( c1*e_1_1_1 &
86424 +c2*e_2_1_1&
86425
86426 )
86427 e_3_2_1 = zeta*( c1*e_2_1_1 &
86428
86429
86430 )
86431 e_0_3_1 = zeta*( &
86432 +c2*e_0_2_1&
86433 +2*e_1_2_1 &
86434 -4*e_0_1_1)
86435 e_1_3_1 = zeta*( c1*e_0_2_1 &
86436 +c2*e_1_2_1&
86437 +4*e_2_2_1 &
86438 -4*e_1_1_1)
86439 e_2_3_1 = zeta*( c1*e_1_2_1 &
86440 +c2*e_2_2_1&
86441 +6*e_3_2_1 &
86442 -4*e_2_1_1)
86443 e_3_3_1 = zeta*( c1*e_2_2_1 &
86444 +c2*e_3_2_1&
86445
86446 )
86447 e_4_3_1 = zeta*( c1*e_3_2_1 &
86448
86449
86450 )
86451
86452 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86453 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86454 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86455 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86456 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86457 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86458 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86459 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86460 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86461 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86462 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86463 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86464 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
86465 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
86466 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86467 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
86468 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
86469 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86470 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86471 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
86472 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
86473 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86474 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86475 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86476 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
86477 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
86478 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
86479 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
86480 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
86481 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86482 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
86483 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
86484 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86485 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86486 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
86487 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
86488 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
86489 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
86490 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86491 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
86492 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
86493 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86494 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86495 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
86496 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
86497 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86498 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86499 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86500 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
86501 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
86502 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
86503 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86504 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
86505 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86506 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86507 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86508 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86509 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86510 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
86511 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
86512 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86513 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
86514 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86515 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86516 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86517 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86518 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86519 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86520 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86521 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86522 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86523 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86524 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
86525 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
86526 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
86527 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86528 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
86529 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
86530 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86531 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86532 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
86533 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
86534 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
86535 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
86536 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86537 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
86538 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
86539 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86540 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86541 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
86542 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
86543 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86544 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86545 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86546 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
86547 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
86548 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
86549 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
86550 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
86551 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86552 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
86553 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
86554 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86555 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86556 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
86557 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
86558 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
86559 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
86560 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86561 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
86562 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
86563 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86564 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86565 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
86566 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
86567 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86568 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86569 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86570 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
86571 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
86572 r1 = r1 + dr
86573 END DO
86574
86575 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
86576 END SUBROUTINE
86577 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_0_exp_1 ( &
86578 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
86579 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
86580 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
86581 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
86582 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
86583 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
86584 r_pow_t, r_tmp, rr1_delta, rr2_delta
86585
86586 REAL(kind=dp) :: c1, c2, c3
86587 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
86588 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
86589 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
86590 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
86591 & h_to_c_4_5, h_to_c_5_5
86592 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
86593 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
86594 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
86595 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
86596
86597 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
86598
86599 dr = lgth
86600 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
86601
86602 s_r(:, :, :) = 0.0_dp
86603
86604 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
86605
86606 h_to_c_0_0 = sqrt(alpha/pi)
86607
86608 h_to_c_0_1 = 0.0_dp
86609 h_to_c_1_1 = +2*alpha*h_to_c_0_0
86610 h_to_c_0_2 = -1*h_to_c_1_1
86611 h_to_c_1_2 = +2*alpha*h_to_c_0_1
86612 h_to_c_2_2 = +2*alpha*h_to_c_1_1
86613 h_to_c_0_3 = -1*h_to_c_1_2
86614 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
86615 h_to_c_2_3 = +2*alpha*h_to_c_1_2
86616 h_to_c_3_3 = +2*alpha*h_to_c_2_2
86617 h_to_c_0_4 = -1*h_to_c_1_3
86618 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
86619 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
86620 h_to_c_3_4 = +2*alpha*h_to_c_2_3
86621 h_to_c_4_4 = +2*alpha*h_to_c_3_3
86622 h_to_c_0_5 = -1*h_to_c_1_4
86623 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
86624 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
86625 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
86626 h_to_c_4_5 = +2*alpha*h_to_c_3_4
86627 h_to_c_5_5 = +2*alpha*h_to_c_4_4
86628
86629 exp_drsq = exp(-alpha*dr*dr)
86630 exp_2drsq = exp_drsq*exp_drsq
86631
86632 rr1_delta = (ra - rb)/dr
86633
86634 rr1_l = ceiling(-r_c(1) + rr1_delta)
86635 rr1_r = floor(r_c(1) + rr1_delta)
86636
86637 r1 = rr1_l*dr
86638
86639 alpha_e = zeta*zetb/(zeta + zetb)
86640
86641 DO rr1 = rr1_l, rr1_r
86642 s_r_t_0 = 0.0_dp
86643 s_r_t2_0 = 0.0_dp
86644 s_r_t_1 = 0.0_dp
86645 s_r_t2_1 = 0.0_dp
86646 s_r_t_2 = 0.0_dp
86647 s_r_t2_2 = 0.0_dp
86648 s_r_t_3 = 0.0_dp
86649 s_r_t2_3 = 0.0_dp
86650 s_r_t_4 = 0.0_dp
86651 s_r_t2_4 = 0.0_dp
86652 s_r_t_5 = 0.0_dp
86653 s_r_t2_5 = 0.0_dp
86654 r_tmp = r_offset + r1*zeta/(zeta + zetb)
86655 rr2_delta = -r_tmp/dr
86656
86657 rr2_l = ceiling(-r_c(2) + rr2_delta)
86658 rr2_r = floor(r_c(2) + rr2_delta)
86659
86660 r = r_tmp + (rr2_l)*dr
86661
86662 exp2_2rdr = exp(-2*alpha*r*dr)
86663 exp2_rsq = exp(-alpha*r*r)
86664
86665 DO rr2 = rr2_l, rr2_r
86666 r_pow_t = 1.0_dp
86667 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
86668 r_pow_t = r_pow_t*r
86669 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
86670 r_pow_t = r_pow_t*r
86671 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
86672 r_pow_t = r_pow_t*r
86673 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
86674 r_pow_t = r_pow_t*r
86675 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
86676 r_pow_t = r_pow_t*r
86677 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
86678
86679 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
86680 exp2_2rdr = exp2_2rdr*exp_2drsq
86681 r = r + dr
86682 END DO
86683
86684 ! C --> H
86685 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
86686 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
86687 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
86688 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
86689 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
86690 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
86691 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
86692 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
86693 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
86694 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
86695 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
86696 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
86697 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
86698 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
86699 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
86700 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
86701 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
86702 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
86703 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
86704 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
86705 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
86706
86707 ! H --> HH
86708 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
86709
86710 c1 = 1.0_dp/(zeta + zetb)
86711 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
86712 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
86713
86714 e_0_1_0 = zeta*( &
86715 +c2*e_0_0_0&
86716
86717 )
86718 e_0_0_1 = zetb*( &
86719 +c3*e_0_0_0&
86720
86721 )
86722 e_1_1_0 = zeta*( c1*e_0_0_0 &
86723
86724
86725 )
86726 e_1_0_1 = zetb*( c1*e_0_0_0 &
86727
86728
86729 )
86730 e_0_2_0 = zeta*( &
86731 +c2*e_0_1_0&
86732 +2*e_1_1_0 &
86733 -2*e_0_0_0)
86734 e_0_1_1 = zetb*( &
86735 +c3*e_0_1_0&
86736 +2*e_1_1_0 &
86737 )
86738 e_1_2_0 = zeta*( c1*e_0_1_0 &
86739 +c2*e_1_1_0&
86740
86741 )
86742 e_1_1_1 = zetb*( c1*e_0_1_0 &
86743 +c3*e_1_1_0&
86744
86745 )
86746 e_2_2_0 = zeta*( c1*e_1_1_0 &
86747
86748
86749 )
86750 e_2_1_1 = zetb*( c1*e_1_1_0 &
86751
86752
86753 )
86754 e_0_3_0 = zeta*( &
86755 +c2*e_0_2_0&
86756 +2*e_1_2_0 &
86757 -4*e_0_1_0)
86758 e_0_2_1 = zetb*( &
86759 +c3*e_0_2_0&
86760 +2*e_1_2_0 &
86761 )
86762 e_1_3_0 = zeta*( c1*e_0_2_0 &
86763 +c2*e_1_2_0&
86764 +4*e_2_2_0 &
86765 -4*e_1_1_0)
86766 e_1_2_1 = zetb*( c1*e_0_2_0 &
86767 +c3*e_1_2_0&
86768 +4*e_2_2_0 &
86769 )
86770 e_2_3_0 = zeta*( c1*e_1_2_0 &
86771 +c2*e_2_2_0&
86772
86773 )
86774 e_2_2_1 = zetb*( c1*e_1_2_0 &
86775 +c3*e_2_2_0&
86776
86777 )
86778 e_3_3_0 = zeta*( c1*e_2_2_0 &
86779
86780
86781 )
86782 e_3_2_1 = zetb*( c1*e_2_2_0 &
86783
86784
86785 )
86786 e_0_3_1 = zetb*( &
86787 +c3*e_0_3_0&
86788 +2*e_1_3_0 &
86789 )
86790 e_1_3_1 = zetb*( c1*e_0_3_0 &
86791 +c3*e_1_3_0&
86792 +4*e_2_3_0 &
86793 )
86794 e_2_3_1 = zetb*( c1*e_1_3_0 &
86795 +c3*e_2_3_0&
86796 +6*e_3_3_0 &
86797 )
86798 e_3_3_1 = zetb*( c1*e_2_3_0 &
86799 +c3*e_3_3_0&
86800
86801 )
86802 e_4_3_1 = zetb*( c1*e_3_3_0 &
86803
86804
86805 )
86806 e_0_1_1 = zeta*( &
86807 +c2*e_0_0_1&
86808 +2*e_1_0_1 &
86809 )
86810 e_0_0_2 = zetb*( &
86811 +c3*e_0_0_1&
86812 +2*e_1_0_1 &
86813 -2*e_0_0_0)
86814 e_1_1_1 = zeta*( c1*e_0_0_1 &
86815 +c2*e_1_0_1&
86816
86817 )
86818 e_1_0_2 = zetb*( c1*e_0_0_1 &
86819 +c3*e_1_0_1&
86820
86821 )
86822 e_2_1_1 = zeta*( c1*e_1_0_1 &
86823
86824
86825 )
86826 e_2_0_2 = zetb*( c1*e_1_0_1 &
86827
86828
86829 )
86830 e_0_2_1 = zeta*( &
86831 +c2*e_0_1_1&
86832 +2*e_1_1_1 &
86833 -2*e_0_0_1)
86834 e_0_1_2 = zetb*( &
86835 +c3*e_0_1_1&
86836 +2*e_1_1_1 &
86837 -2*e_0_1_0)
86838 e_1_2_1 = zeta*( c1*e_0_1_1 &
86839 +c2*e_1_1_1&
86840 +4*e_2_1_1 &
86841 -2*e_1_0_1)
86842 e_1_1_2 = zetb*( c1*e_0_1_1 &
86843 +c3*e_1_1_1&
86844 +4*e_2_1_1 &
86845 -2*e_1_1_0)
86846 e_2_2_1 = zeta*( c1*e_1_1_1 &
86847 +c2*e_2_1_1&
86848
86849 )
86850 e_2_1_2 = zetb*( c1*e_1_1_1 &
86851 +c3*e_2_1_1&
86852
86853 )
86854 e_3_2_1 = zeta*( c1*e_2_1_1 &
86855
86856
86857 )
86858 e_3_1_2 = zetb*( c1*e_2_1_1 &
86859
86860
86861 )
86862 e_0_3_1 = zeta*( &
86863 +c2*e_0_2_1&
86864 +2*e_1_2_1 &
86865 -4*e_0_1_1)
86866 e_0_2_2 = zetb*( &
86867 +c3*e_0_2_1&
86868 +2*e_1_2_1 &
86869 -2*e_0_2_0)
86870 e_1_3_1 = zeta*( c1*e_0_2_1 &
86871 +c2*e_1_2_1&
86872 +4*e_2_2_1 &
86873 -4*e_1_1_1)
86874 e_1_2_2 = zetb*( c1*e_0_2_1 &
86875 +c3*e_1_2_1&
86876 +4*e_2_2_1 &
86877 -2*e_1_2_0)
86878 e_2_3_1 = zeta*( c1*e_1_2_1 &
86879 +c2*e_2_2_1&
86880 +6*e_3_2_1 &
86881 -4*e_2_1_1)
86882 e_2_2_2 = zetb*( c1*e_1_2_1 &
86883 +c3*e_2_2_1&
86884 +6*e_3_2_1 &
86885 -2*e_2_2_0)
86886 e_3_3_1 = zeta*( c1*e_2_2_1 &
86887 +c2*e_3_2_1&
86888
86889 )
86890 e_3_2_2 = zetb*( c1*e_2_2_1 &
86891 +c3*e_3_2_1&
86892
86893 )
86894 e_4_3_1 = zeta*( c1*e_3_2_1 &
86895
86896
86897 )
86898 e_4_2_2 = zetb*( c1*e_3_2_1 &
86899
86900
86901 )
86902 e_0_3_2 = zetb*( &
86903 +c3*e_0_3_1&
86904 +2*e_1_3_1 &
86905 -2*e_0_3_0)
86906 e_1_3_2 = zetb*( c1*e_0_3_1 &
86907 +c3*e_1_3_1&
86908 +4*e_2_3_1 &
86909 -2*e_1_3_0)
86910 e_2_3_2 = zetb*( c1*e_1_3_1 &
86911 +c3*e_2_3_1&
86912 +6*e_3_3_1 &
86913 -2*e_2_3_0)
86914 e_3_3_2 = zetb*( c1*e_2_3_1 &
86915 +c3*e_3_3_1&
86916 +8*e_4_3_1 &
86917 -2*e_3_3_0)
86918 e_4_3_2 = zetb*( c1*e_3_3_1 &
86919 +c3*e_4_3_1&
86920
86921 )
86922 e_5_3_2 = zetb*( c1*e_4_3_1 &
86923
86924
86925 )
86926 e_0_1_2 = zeta*( &
86927 +c2*e_0_0_2&
86928 +2*e_1_0_2 &
86929 )
86930 e_1_1_2 = zeta*( c1*e_0_0_2 &
86931 +c2*e_1_0_2&
86932 +4*e_2_0_2 &
86933 )
86934 e_2_1_2 = zeta*( c1*e_1_0_2 &
86935 +c2*e_2_0_2&
86936
86937 )
86938 e_3_1_2 = zeta*( c1*e_2_0_2 &
86939
86940
86941 )
86942 e_0_2_2 = zeta*( &
86943 +c2*e_0_1_2&
86944 +2*e_1_1_2 &
86945 -2*e_0_0_2)
86946 e_1_2_2 = zeta*( c1*e_0_1_2 &
86947 +c2*e_1_1_2&
86948 +4*e_2_1_2 &
86949 -2*e_1_0_2)
86950 e_2_2_2 = zeta*( c1*e_1_1_2 &
86951 +c2*e_2_1_2&
86952 +6*e_3_1_2 &
86953 -2*e_2_0_2)
86954 e_3_2_2 = zeta*( c1*e_2_1_2 &
86955 +c2*e_3_1_2&
86956
86957 )
86958 e_4_2_2 = zeta*( c1*e_3_1_2 &
86959
86960
86961 )
86962 e_0_3_2 = zeta*( &
86963 +c2*e_0_2_2&
86964 +2*e_1_2_2 &
86965 -4*e_0_1_2)
86966 e_1_3_2 = zeta*( c1*e_0_2_2 &
86967 +c2*e_1_2_2&
86968 +4*e_2_2_2 &
86969 -4*e_1_1_2)
86970 e_2_3_2 = zeta*( c1*e_1_2_2 &
86971 +c2*e_2_2_2&
86972 +6*e_3_2_2 &
86973 -4*e_2_1_2)
86974 e_3_3_2 = zeta*( c1*e_2_2_2 &
86975 +c2*e_3_2_2&
86976 +8*e_4_2_2 &
86977 -4*e_3_1_2)
86978 e_4_3_2 = zeta*( c1*e_3_2_2 &
86979 +c2*e_4_2_2&
86980
86981 )
86982 e_5_3_2 = zeta*( c1*e_4_2_2 &
86983
86984
86985 )
86986
86987 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86988 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86989 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86990 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86991 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86992 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86993 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86994 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86995 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86996 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86997 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86998 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86999 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
87000 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
87001 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
87002 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
87003 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
87004 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
87005 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
87006 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
87007 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
87008 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
87009 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
87010 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
87011 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
87012 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
87013 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
87014 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
87015 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
87016 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
87017 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
87018 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
87019 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
87020 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
87021 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
87022 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
87023 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
87024 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
87025 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
87026 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
87027 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
87028 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
87029 r1 = r1 + dr
87030 END DO
87031
87032 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
87033 END SUBROUTINE
87034 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_1_exp_1 ( &
87035 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
87036 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
87037 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
87038 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
87039 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
87040 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
87041 r_pow_t, r_tmp, rr1_delta, rr2_delta
87042
87043 REAL(kind=dp) :: c1, c2, c3
87044 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
87045 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
87046 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
87047 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
87048 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
87049 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
87050 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
87051 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
87052 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
87053
87054 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
87055
87056 dr = lgth
87057 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
87058
87059 s_r(:, :, :) = 0.0_dp
87060
87061 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
87062
87063 h_to_c_0_0 = sqrt(alpha/pi)
87064
87065 h_to_c_0_1 = 0.0_dp
87066 h_to_c_1_1 = +2*alpha*h_to_c_0_0
87067 h_to_c_0_2 = -1*h_to_c_1_1
87068 h_to_c_1_2 = +2*alpha*h_to_c_0_1
87069 h_to_c_2_2 = +2*alpha*h_to_c_1_1
87070 h_to_c_0_3 = -1*h_to_c_1_2
87071 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
87072 h_to_c_2_3 = +2*alpha*h_to_c_1_2
87073 h_to_c_3_3 = +2*alpha*h_to_c_2_2
87074 h_to_c_0_4 = -1*h_to_c_1_3
87075 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
87076 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
87077 h_to_c_3_4 = +2*alpha*h_to_c_2_3
87078 h_to_c_4_4 = +2*alpha*h_to_c_3_3
87079 h_to_c_0_5 = -1*h_to_c_1_4
87080 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
87081 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
87082 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
87083 h_to_c_4_5 = +2*alpha*h_to_c_3_4
87084 h_to_c_5_5 = +2*alpha*h_to_c_4_4
87085 h_to_c_0_6 = -1*h_to_c_1_5
87086 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
87087 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
87088 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
87089 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
87090 h_to_c_5_6 = +2*alpha*h_to_c_4_5
87091 h_to_c_6_6 = +2*alpha*h_to_c_5_5
87092
87093 exp_drsq = exp(-alpha*dr*dr)
87094 exp_2drsq = exp_drsq*exp_drsq
87095
87096 rr1_delta = (ra - rb)/dr
87097
87098 rr1_l = ceiling(-r_c(1) + rr1_delta)
87099 rr1_r = floor(r_c(1) + rr1_delta)
87100
87101 r1 = rr1_l*dr
87102
87103 alpha_e = zeta*zetb/(zeta + zetb)
87104
87105 DO rr1 = rr1_l, rr1_r
87106 s_r_t_0 = 0.0_dp
87107 s_r_t2_0 = 0.0_dp
87108 s_r_t_1 = 0.0_dp
87109 s_r_t2_1 = 0.0_dp
87110 s_r_t_2 = 0.0_dp
87111 s_r_t2_2 = 0.0_dp
87112 s_r_t_3 = 0.0_dp
87113 s_r_t2_3 = 0.0_dp
87114 s_r_t_4 = 0.0_dp
87115 s_r_t2_4 = 0.0_dp
87116 s_r_t_5 = 0.0_dp
87117 s_r_t2_5 = 0.0_dp
87118 s_r_t_6 = 0.0_dp
87119 s_r_t2_6 = 0.0_dp
87120 r_tmp = r_offset + r1*zeta/(zeta + zetb)
87121 rr2_delta = -r_tmp/dr
87122
87123 rr2_l = ceiling(-r_c(2) + rr2_delta)
87124 rr2_r = floor(r_c(2) + rr2_delta)
87125
87126 r = r_tmp + (rr2_l)*dr
87127
87128 exp2_2rdr = exp(-2*alpha*r*dr)
87129 exp2_rsq = exp(-alpha*r*r)
87130
87131 DO rr2 = rr2_l, rr2_r
87132 r_pow_t = 1.0_dp
87133 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
87134 r_pow_t = r_pow_t*r
87135 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
87136 r_pow_t = r_pow_t*r
87137 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
87138 r_pow_t = r_pow_t*r
87139 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
87140 r_pow_t = r_pow_t*r
87141 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
87142 r_pow_t = r_pow_t*r
87143 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
87144 r_pow_t = r_pow_t*r
87145 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
87146
87147 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
87148 exp2_2rdr = exp2_2rdr*exp_2drsq
87149 r = r + dr
87150 END DO
87151
87152 ! C --> H
87153 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
87154 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
87155 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
87156 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
87157 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
87158 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
87159 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
87160 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
87161 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
87162 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
87163 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
87164 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
87165 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
87166 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
87167 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
87168 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
87169 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
87170 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
87171 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
87172 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
87173 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
87174 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
87175 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
87176 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
87177 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
87178 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
87179 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
87180 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
87181
87182 ! H --> HH
87183 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
87184
87185 c1 = 1.0_dp/(zeta + zetb)
87186 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
87187 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
87188
87189 e_0_1_0 = zeta*( &
87190 +c2*e_0_0_0&
87191
87192 )
87193 e_0_0_1 = zetb*( &
87194 +c3*e_0_0_0&
87195
87196 )
87197 e_1_1_0 = zeta*( c1*e_0_0_0 &
87198
87199
87200 )
87201 e_1_0_1 = zetb*( c1*e_0_0_0 &
87202
87203
87204 )
87205 e_0_2_0 = zeta*( &
87206 +c2*e_0_1_0&
87207 +2*e_1_1_0 &
87208 -2*e_0_0_0)
87209 e_0_1_1 = zetb*( &
87210 +c3*e_0_1_0&
87211 +2*e_1_1_0 &
87212 )
87213 e_1_2_0 = zeta*( c1*e_0_1_0 &
87214 +c2*e_1_1_0&
87215
87216 )
87217 e_1_1_1 = zetb*( c1*e_0_1_0 &
87218 +c3*e_1_1_0&
87219
87220 )
87221 e_2_2_0 = zeta*( c1*e_1_1_0 &
87222
87223
87224 )
87225 e_2_1_1 = zetb*( c1*e_1_1_0 &
87226
87227
87228 )
87229 e_0_3_0 = zeta*( &
87230 +c2*e_0_2_0&
87231 +2*e_1_2_0 &
87232 -4*e_0_1_0)
87233 e_0_2_1 = zetb*( &
87234 +c3*e_0_2_0&
87235 +2*e_1_2_0 &
87236 )
87237 e_1_3_0 = zeta*( c1*e_0_2_0 &
87238 +c2*e_1_2_0&
87239 +4*e_2_2_0 &
87240 -4*e_1_1_0)
87241 e_1_2_1 = zetb*( c1*e_0_2_0 &
87242 +c3*e_1_2_0&
87243 +4*e_2_2_0 &
87244 )
87245 e_2_3_0 = zeta*( c1*e_1_2_0 &
87246 +c2*e_2_2_0&
87247
87248 )
87249 e_2_2_1 = zetb*( c1*e_1_2_0 &
87250 +c3*e_2_2_0&
87251
87252 )
87253 e_3_3_0 = zeta*( c1*e_2_2_0 &
87254
87255
87256 )
87257 e_3_2_1 = zetb*( c1*e_2_2_0 &
87258
87259
87260 )
87261 e_0_3_1 = zetb*( &
87262 +c3*e_0_3_0&
87263 +2*e_1_3_0 &
87264 )
87265 e_1_3_1 = zetb*( c1*e_0_3_0 &
87266 +c3*e_1_3_0&
87267 +4*e_2_3_0 &
87268 )
87269 e_2_3_1 = zetb*( c1*e_1_3_0 &
87270 +c3*e_2_3_0&
87271 +6*e_3_3_0 &
87272 )
87273 e_3_3_1 = zetb*( c1*e_2_3_0 &
87274 +c3*e_3_3_0&
87275
87276 )
87277 e_4_3_1 = zetb*( c1*e_3_3_0 &
87278
87279
87280 )
87281 e_0_1_1 = zeta*( &
87282 +c2*e_0_0_1&
87283 +2*e_1_0_1 &
87284 )
87285 e_0_0_2 = zetb*( &
87286 +c3*e_0_0_1&
87287 +2*e_1_0_1 &
87288 -2*e_0_0_0)
87289 e_1_1_1 = zeta*( c1*e_0_0_1 &
87290 +c2*e_1_0_1&
87291
87292 )
87293 e_1_0_2 = zetb*( c1*e_0_0_1 &
87294 +c3*e_1_0_1&
87295
87296 )
87297 e_2_1_1 = zeta*( c1*e_1_0_1 &
87298
87299
87300 )
87301 e_2_0_2 = zetb*( c1*e_1_0_1 &
87302
87303
87304 )
87305 e_0_2_1 = zeta*( &
87306 +c2*e_0_1_1&
87307 +2*e_1_1_1 &
87308 -2*e_0_0_1)
87309 e_0_1_2 = zetb*( &
87310 +c3*e_0_1_1&
87311 +2*e_1_1_1 &
87312 -2*e_0_1_0)
87313 e_1_2_1 = zeta*( c1*e_0_1_1 &
87314 +c2*e_1_1_1&
87315 +4*e_2_1_1 &
87316 -2*e_1_0_1)
87317 e_1_1_2 = zetb*( c1*e_0_1_1 &
87318 +c3*e_1_1_1&
87319 +4*e_2_1_1 &
87320 -2*e_1_1_0)
87321 e_2_2_1 = zeta*( c1*e_1_1_1 &
87322 +c2*e_2_1_1&
87323
87324 )
87325 e_2_1_2 = zetb*( c1*e_1_1_1 &
87326 +c3*e_2_1_1&
87327
87328 )
87329 e_3_2_1 = zeta*( c1*e_2_1_1 &
87330
87331
87332 )
87333 e_3_1_2 = zetb*( c1*e_2_1_1 &
87334
87335
87336 )
87337 e_0_3_1 = zeta*( &
87338 +c2*e_0_2_1&
87339 +2*e_1_2_1 &
87340 -4*e_0_1_1)
87341 e_0_2_2 = zetb*( &
87342 +c3*e_0_2_1&
87343 +2*e_1_2_1 &
87344 -2*e_0_2_0)
87345 e_1_3_1 = zeta*( c1*e_0_2_1 &
87346 +c2*e_1_2_1&
87347 +4*e_2_2_1 &
87348 -4*e_1_1_1)
87349 e_1_2_2 = zetb*( c1*e_0_2_1 &
87350 +c3*e_1_2_1&
87351 +4*e_2_2_1 &
87352 -2*e_1_2_0)
87353 e_2_3_1 = zeta*( c1*e_1_2_1 &
87354 +c2*e_2_2_1&
87355 +6*e_3_2_1 &
87356 -4*e_2_1_1)
87357 e_2_2_2 = zetb*( c1*e_1_2_1 &
87358 +c3*e_2_2_1&
87359 +6*e_3_2_1 &
87360 -2*e_2_2_0)
87361 e_3_3_1 = zeta*( c1*e_2_2_1 &
87362 +c2*e_3_2_1&
87363
87364 )
87365 e_3_2_2 = zetb*( c1*e_2_2_1 &
87366 +c3*e_3_2_1&
87367
87368 )
87369 e_4_3_1 = zeta*( c1*e_3_2_1 &
87370
87371
87372 )
87373 e_4_2_2 = zetb*( c1*e_3_2_1 &
87374
87375
87376 )
87377 e_0_3_2 = zetb*( &
87378 +c3*e_0_3_1&
87379 +2*e_1_3_1 &
87380 -2*e_0_3_0)
87381 e_1_3_2 = zetb*( c1*e_0_3_1 &
87382 +c3*e_1_3_1&
87383 +4*e_2_3_1 &
87384 -2*e_1_3_0)
87385 e_2_3_2 = zetb*( c1*e_1_3_1 &
87386 +c3*e_2_3_1&
87387 +6*e_3_3_1 &
87388 -2*e_2_3_0)
87389 e_3_3_2 = zetb*( c1*e_2_3_1 &
87390 +c3*e_3_3_1&
87391 +8*e_4_3_1 &
87392 -2*e_3_3_0)
87393 e_4_3_2 = zetb*( c1*e_3_3_1 &
87394 +c3*e_4_3_1&
87395
87396 )
87397 e_5_3_2 = zetb*( c1*e_4_3_1 &
87398
87399
87400 )
87401 e_0_1_2 = zeta*( &
87402 +c2*e_0_0_2&
87403 +2*e_1_0_2 &
87404 )
87405 e_1_1_2 = zeta*( c1*e_0_0_2 &
87406 +c2*e_1_0_2&
87407 +4*e_2_0_2 &
87408 )
87409 e_2_1_2 = zeta*( c1*e_1_0_2 &
87410 +c2*e_2_0_2&
87411
87412 )
87413 e_3_1_2 = zeta*( c1*e_2_0_2 &
87414
87415
87416 )
87417 e_0_2_2 = zeta*( &
87418 +c2*e_0_1_2&
87419 +2*e_1_1_2 &
87420 -2*e_0_0_2)
87421 e_1_2_2 = zeta*( c1*e_0_1_2 &
87422 +c2*e_1_1_2&
87423 +4*e_2_1_2 &
87424 -2*e_1_0_2)
87425 e_2_2_2 = zeta*( c1*e_1_1_2 &
87426 +c2*e_2_1_2&
87427 +6*e_3_1_2 &
87428 -2*e_2_0_2)
87429 e_3_2_2 = zeta*( c1*e_2_1_2 &
87430 +c2*e_3_1_2&
87431
87432 )
87433 e_4_2_2 = zeta*( c1*e_3_1_2 &
87434
87435
87436 )
87437 e_0_3_2 = zeta*( &
87438 +c2*e_0_2_2&
87439 +2*e_1_2_2 &
87440 -4*e_0_1_2)
87441 e_1_3_2 = zeta*( c1*e_0_2_2 &
87442 +c2*e_1_2_2&
87443 +4*e_2_2_2 &
87444 -4*e_1_1_2)
87445 e_2_3_2 = zeta*( c1*e_1_2_2 &
87446 +c2*e_2_2_2&
87447 +6*e_3_2_2 &
87448 -4*e_2_1_2)
87449 e_3_3_2 = zeta*( c1*e_2_2_2 &
87450 +c2*e_3_2_2&
87451 +8*e_4_2_2 &
87452 -4*e_3_1_2)
87453 e_4_3_2 = zeta*( c1*e_3_2_2 &
87454 +c2*e_4_2_2&
87455
87456 )
87457 e_5_3_2 = zeta*( c1*e_4_2_2 &
87458
87459
87460 )
87461
87462 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
87463 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
87464 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
87465 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
87466 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
87467 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
87468 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
87469 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
87470 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
87471 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
87472 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
87473 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
87474 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
87475 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
87476 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
87477 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
87478 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
87479 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
87480 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
87481 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
87482 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
87483 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
87484 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
87485 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
87486 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
87487 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
87488 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
87489 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
87490 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
87491 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
87492 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
87493 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
87494 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
87495 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
87496 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
87497 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
87498 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
87499 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
87500 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
87501 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
87502 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
87503 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
87504 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
87505 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
87506 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
87507 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
87508 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
87509 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
87510 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
87511 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
87512 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
87513 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
87514 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
87515 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
87516 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
87517 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
87518 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
87519 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
87520 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
87521 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
87522 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
87523 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
87524 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
87525 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
87526 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
87527 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
87528 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
87529 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
87530 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
87531 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
87532 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
87533 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
87534 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
87535 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
87536 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
87537 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
87538 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
87539 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
87540 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
87541 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
87542 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
87543 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
87544 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
87545 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
87546 r1 = r1 + dr
87547 END DO
87548
87549 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
87550 END SUBROUTINE
87551 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_2_exp_1 ( &
87552 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
87553 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
87554 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
87555 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
87556 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
87557 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
87558 r_pow_t, r_tmp, rr1_delta, rr2_delta
87559
87560 REAL(kind=dp) :: c1, c2, c3
87561 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
87562 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
87563 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
87564 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
87565 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
87566 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
87567 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
87568 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
87569 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
87570 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
87571
87572 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
87573
87574 dr = lgth
87575 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
87576
87577 s_r(:, :, :) = 0.0_dp
87578
87579 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
87580
87581 h_to_c_0_0 = sqrt(alpha/pi)
87582
87583 h_to_c_0_1 = 0.0_dp
87584 h_to_c_1_1 = +2*alpha*h_to_c_0_0
87585 h_to_c_0_2 = -1*h_to_c_1_1
87586 h_to_c_1_2 = +2*alpha*h_to_c_0_1
87587 h_to_c_2_2 = +2*alpha*h_to_c_1_1
87588 h_to_c_0_3 = -1*h_to_c_1_2
87589 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
87590 h_to_c_2_3 = +2*alpha*h_to_c_1_2
87591 h_to_c_3_3 = +2*alpha*h_to_c_2_2
87592 h_to_c_0_4 = -1*h_to_c_1_3
87593 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
87594 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
87595 h_to_c_3_4 = +2*alpha*h_to_c_2_3
87596 h_to_c_4_4 = +2*alpha*h_to_c_3_3
87597 h_to_c_0_5 = -1*h_to_c_1_4
87598 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
87599 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
87600 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
87601 h_to_c_4_5 = +2*alpha*h_to_c_3_4
87602 h_to_c_5_5 = +2*alpha*h_to_c_4_4
87603 h_to_c_0_6 = -1*h_to_c_1_5
87604 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
87605 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
87606 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
87607 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
87608 h_to_c_5_6 = +2*alpha*h_to_c_4_5
87609 h_to_c_6_6 = +2*alpha*h_to_c_5_5
87610 h_to_c_0_7 = -1*h_to_c_1_6
87611 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
87612 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
87613 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
87614 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
87615 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
87616 h_to_c_6_7 = +2*alpha*h_to_c_5_6
87617 h_to_c_7_7 = +2*alpha*h_to_c_6_6
87618
87619 exp_drsq = exp(-alpha*dr*dr)
87620 exp_2drsq = exp_drsq*exp_drsq
87621
87622 rr1_delta = (ra - rb)/dr
87623
87624 rr1_l = ceiling(-r_c(1) + rr1_delta)
87625 rr1_r = floor(r_c(1) + rr1_delta)
87626
87627 r1 = rr1_l*dr
87628
87629 alpha_e = zeta*zetb/(zeta + zetb)
87630
87631 DO rr1 = rr1_l, rr1_r
87632 s_r_t_0 = 0.0_dp
87633 s_r_t2_0 = 0.0_dp
87634 s_r_t_1 = 0.0_dp
87635 s_r_t2_1 = 0.0_dp
87636 s_r_t_2 = 0.0_dp
87637 s_r_t2_2 = 0.0_dp
87638 s_r_t_3 = 0.0_dp
87639 s_r_t2_3 = 0.0_dp
87640 s_r_t_4 = 0.0_dp
87641 s_r_t2_4 = 0.0_dp
87642 s_r_t_5 = 0.0_dp
87643 s_r_t2_5 = 0.0_dp
87644 s_r_t_6 = 0.0_dp
87645 s_r_t2_6 = 0.0_dp
87646 s_r_t_7 = 0.0_dp
87647 s_r_t2_7 = 0.0_dp
87648 r_tmp = r_offset + r1*zeta/(zeta + zetb)
87649 rr2_delta = -r_tmp/dr
87650
87651 rr2_l = ceiling(-r_c(2) + rr2_delta)
87652 rr2_r = floor(r_c(2) + rr2_delta)
87653
87654 r = r_tmp + (rr2_l)*dr
87655
87656 exp2_2rdr = exp(-2*alpha*r*dr)
87657 exp2_rsq = exp(-alpha*r*r)
87658
87659 DO rr2 = rr2_l, rr2_r
87660 r_pow_t = 1.0_dp
87661 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
87662 r_pow_t = r_pow_t*r
87663 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
87664 r_pow_t = r_pow_t*r
87665 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
87666 r_pow_t = r_pow_t*r
87667 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
87668 r_pow_t = r_pow_t*r
87669 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
87670 r_pow_t = r_pow_t*r
87671 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
87672 r_pow_t = r_pow_t*r
87673 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
87674 r_pow_t = r_pow_t*r
87675 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
87676
87677 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
87678 exp2_2rdr = exp2_2rdr*exp_2drsq
87679 r = r + dr
87680 END DO
87681
87682 ! C --> H
87683 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
87684 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
87685 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
87686 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
87687 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
87688 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
87689 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
87690 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
87691 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
87692 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
87693 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
87694 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
87695 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
87696 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
87697 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
87698 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
87699 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
87700 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
87701 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
87702 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
87703 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
87704 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
87705 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
87706 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
87707 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
87708 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
87709 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
87710 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
87711 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
87712 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
87713 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
87714 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
87715 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
87716 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
87717 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
87718 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
87719
87720 ! H --> HH
87721 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
87722
87723 c1 = 1.0_dp/(zeta + zetb)
87724 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
87725 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
87726
87727 e_0_1_0 = zeta*( &
87728 +c2*e_0_0_0&
87729
87730 )
87731 e_0_0_1 = zetb*( &
87732 +c3*e_0_0_0&
87733
87734 )
87735 e_1_1_0 = zeta*( c1*e_0_0_0 &
87736
87737
87738 )
87739 e_1_0_1 = zetb*( c1*e_0_0_0 &
87740
87741
87742 )
87743 e_0_2_0 = zeta*( &
87744 +c2*e_0_1_0&
87745 +2*e_1_1_0 &
87746 -2*e_0_0_0)
87747 e_0_1_1 = zetb*( &
87748 +c3*e_0_1_0&
87749 +2*e_1_1_0 &
87750 )
87751 e_1_2_0 = zeta*( c1*e_0_1_0 &
87752 +c2*e_1_1_0&
87753
87754 )
87755 e_1_1_1 = zetb*( c1*e_0_1_0 &
87756 +c3*e_1_1_0&
87757
87758 )
87759 e_2_2_0 = zeta*( c1*e_1_1_0 &
87760
87761
87762 )
87763 e_2_1_1 = zetb*( c1*e_1_1_0 &
87764
87765
87766 )
87767 e_0_3_0 = zeta*( &
87768 +c2*e_0_2_0&
87769 +2*e_1_2_0 &
87770 -4*e_0_1_0)
87771 e_0_2_1 = zetb*( &
87772 +c3*e_0_2_0&
87773 +2*e_1_2_0 &
87774 )
87775 e_1_3_0 = zeta*( c1*e_0_2_0 &
87776 +c2*e_1_2_0&
87777 +4*e_2_2_0 &
87778 -4*e_1_1_0)
87779 e_1_2_1 = zetb*( c1*e_0_2_0 &
87780 +c3*e_1_2_0&
87781 +4*e_2_2_0 &
87782 )
87783 e_2_3_0 = zeta*( c1*e_1_2_0 &
87784 +c2*e_2_2_0&
87785
87786 )
87787 e_2_2_1 = zetb*( c1*e_1_2_0 &
87788 +c3*e_2_2_0&
87789
87790 )
87791 e_3_3_0 = zeta*( c1*e_2_2_0 &
87792
87793
87794 )
87795 e_3_2_1 = zetb*( c1*e_2_2_0 &
87796
87797
87798 )
87799 e_0_3_1 = zetb*( &
87800 +c3*e_0_3_0&
87801 +2*e_1_3_0 &
87802 )
87803 e_1_3_1 = zetb*( c1*e_0_3_0 &
87804 +c3*e_1_3_0&
87805 +4*e_2_3_0 &
87806 )
87807 e_2_3_1 = zetb*( c1*e_1_3_0 &
87808 +c3*e_2_3_0&
87809 +6*e_3_3_0 &
87810 )
87811 e_3_3_1 = zetb*( c1*e_2_3_0 &
87812 +c3*e_3_3_0&
87813
87814 )
87815 e_4_3_1 = zetb*( c1*e_3_3_0 &
87816
87817
87818 )
87819 e_0_1_1 = zeta*( &
87820 +c2*e_0_0_1&
87821 +2*e_1_0_1 &
87822 )
87823 e_0_0_2 = zetb*( &
87824 +c3*e_0_0_1&
87825 +2*e_1_0_1 &
87826 -2*e_0_0_0)
87827 e_1_1_1 = zeta*( c1*e_0_0_1 &
87828 +c2*e_1_0_1&
87829
87830 )
87831 e_1_0_2 = zetb*( c1*e_0_0_1 &
87832 +c3*e_1_0_1&
87833
87834 )
87835 e_2_1_1 = zeta*( c1*e_1_0_1 &
87836
87837
87838 )
87839 e_2_0_2 = zetb*( c1*e_1_0_1 &
87840
87841
87842 )
87843 e_0_2_1 = zeta*( &
87844 +c2*e_0_1_1&
87845 +2*e_1_1_1 &
87846 -2*e_0_0_1)
87847 e_0_1_2 = zetb*( &
87848 +c3*e_0_1_1&
87849 +2*e_1_1_1 &
87850 -2*e_0_1_0)
87851 e_1_2_1 = zeta*( c1*e_0_1_1 &
87852 +c2*e_1_1_1&
87853 +4*e_2_1_1 &
87854 -2*e_1_0_1)
87855 e_1_1_2 = zetb*( c1*e_0_1_1 &
87856 +c3*e_1_1_1&
87857 +4*e_2_1_1 &
87858 -2*e_1_1_0)
87859 e_2_2_1 = zeta*( c1*e_1_1_1 &
87860 +c2*e_2_1_1&
87861
87862 )
87863 e_2_1_2 = zetb*( c1*e_1_1_1 &
87864 +c3*e_2_1_1&
87865
87866 )
87867 e_3_2_1 = zeta*( c1*e_2_1_1 &
87868
87869
87870 )
87871 e_3_1_2 = zetb*( c1*e_2_1_1 &
87872
87873
87874 )
87875 e_0_3_1 = zeta*( &
87876 +c2*e_0_2_1&
87877 +2*e_1_2_1 &
87878 -4*e_0_1_1)
87879 e_0_2_2 = zetb*( &
87880 +c3*e_0_2_1&
87881 +2*e_1_2_1 &
87882 -2*e_0_2_0)
87883 e_1_3_1 = zeta*( c1*e_0_2_1 &
87884 +c2*e_1_2_1&
87885 +4*e_2_2_1 &
87886 -4*e_1_1_1)
87887 e_1_2_2 = zetb*( c1*e_0_2_1 &
87888 +c3*e_1_2_1&
87889 +4*e_2_2_1 &
87890 -2*e_1_2_0)
87891 e_2_3_1 = zeta*( c1*e_1_2_1 &
87892 +c2*e_2_2_1&
87893 +6*e_3_2_1 &
87894 -4*e_2_1_1)
87895 e_2_2_2 = zetb*( c1*e_1_2_1 &
87896 +c3*e_2_2_1&
87897 +6*e_3_2_1 &
87898 -2*e_2_2_0)
87899 e_3_3_1 = zeta*( c1*e_2_2_1 &
87900 +c2*e_3_2_1&
87901
87902 )
87903 e_3_2_2 = zetb*( c1*e_2_2_1 &
87904 +c3*e_3_2_1&
87905
87906 )
87907 e_4_3_1 = zeta*( c1*e_3_2_1 &
87908
87909
87910 )
87911 e_4_2_2 = zetb*( c1*e_3_2_1 &
87912
87913
87914 )
87915 e_0_3_2 = zetb*( &
87916 +c3*e_0_3_1&
87917 +2*e_1_3_1 &
87918 -2*e_0_3_0)
87919 e_1_3_2 = zetb*( c1*e_0_3_1 &
87920 +c3*e_1_3_1&
87921 +4*e_2_3_1 &
87922 -2*e_1_3_0)
87923 e_2_3_2 = zetb*( c1*e_1_3_1 &
87924 +c3*e_2_3_1&
87925 +6*e_3_3_1 &
87926 -2*e_2_3_0)
87927 e_3_3_2 = zetb*( c1*e_2_3_1 &
87928 +c3*e_3_3_1&
87929 +8*e_4_3_1 &
87930 -2*e_3_3_0)
87931 e_4_3_2 = zetb*( c1*e_3_3_1 &
87932 +c3*e_4_3_1&
87933
87934 )
87935 e_5_3_2 = zetb*( c1*e_4_3_1 &
87936
87937
87938 )
87939 e_0_1_2 = zeta*( &
87940 +c2*e_0_0_2&
87941 +2*e_1_0_2 &
87942 )
87943 e_1_1_2 = zeta*( c1*e_0_0_2 &
87944 +c2*e_1_0_2&
87945 +4*e_2_0_2 &
87946 )
87947 e_2_1_2 = zeta*( c1*e_1_0_2 &
87948 +c2*e_2_0_2&
87949
87950 )
87951 e_3_1_2 = zeta*( c1*e_2_0_2 &
87952
87953
87954 )
87955 e_0_2_2 = zeta*( &
87956 +c2*e_0_1_2&
87957 +2*e_1_1_2 &
87958 -2*e_0_0_2)
87959 e_1_2_2 = zeta*( c1*e_0_1_2 &
87960 +c2*e_1_1_2&
87961 +4*e_2_1_2 &
87962 -2*e_1_0_2)
87963 e_2_2_2 = zeta*( c1*e_1_1_2 &
87964 +c2*e_2_1_2&
87965 +6*e_3_1_2 &
87966 -2*e_2_0_2)
87967 e_3_2_2 = zeta*( c1*e_2_1_2 &
87968 +c2*e_3_1_2&
87969
87970 )
87971 e_4_2_2 = zeta*( c1*e_3_1_2 &
87972
87973
87974 )
87975 e_0_3_2 = zeta*( &
87976 +c2*e_0_2_2&
87977 +2*e_1_2_2 &
87978 -4*e_0_1_2)
87979 e_1_3_2 = zeta*( c1*e_0_2_2 &
87980 +c2*e_1_2_2&
87981 +4*e_2_2_2 &
87982 -4*e_1_1_2)
87983 e_2_3_2 = zeta*( c1*e_1_2_2 &
87984 +c2*e_2_2_2&
87985 +6*e_3_2_2 &
87986 -4*e_2_1_2)
87987 e_3_3_2 = zeta*( c1*e_2_2_2 &
87988 +c2*e_3_2_2&
87989 +8*e_4_2_2 &
87990 -4*e_3_1_2)
87991 e_4_3_2 = zeta*( c1*e_3_2_2 &
87992 +c2*e_4_2_2&
87993
87994 )
87995 e_5_3_2 = zeta*( c1*e_4_2_2 &
87996
87997
87998 )
87999
88000 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
88001 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
88002 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
88003 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
88004 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
88005 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88006 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
88007 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
88008 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88009 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88010 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
88011 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
88012 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
88013 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
88014 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88015 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
88016 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
88017 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88018 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88019 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
88020 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
88021 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88022 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88023 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88024 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
88025 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
88026 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88027 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
88028 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
88029 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88030 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88031 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
88032 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
88033 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88034 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88035 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88036 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
88037 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
88038 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88039 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88040 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88041 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88042 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
88043 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
88044 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
88045 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
88046 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
88047 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88048 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
88049 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
88050 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88051 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88052 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
88053 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
88054 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
88055 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
88056 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88057 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
88058 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
88059 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88060 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88061 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
88062 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
88063 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88064 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88065 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88066 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
88067 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
88068 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88069 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
88070 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
88071 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88072 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88073 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
88074 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
88075 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88076 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88077 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88078 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
88079 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
88080 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88081 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88082 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88083 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88084 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
88085 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
88086 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
88087 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88088 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
88089 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
88090 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88091 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88092 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
88093 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
88094 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
88095 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
88096 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88097 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
88098 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
88099 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88100 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88101 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
88102 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
88103 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88104 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88105 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88106 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
88107 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
88108 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88109 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
88110 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
88111 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88112 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88113 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
88114 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
88115 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88116 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88117 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88118 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
88119 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
88120 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88121 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88122 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88123 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88124 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
88125 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
88126 r1 = r1 + dr
88127 END DO
88128
88129 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
88130 END SUBROUTINE
88131 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_3_exp_1 ( &
88132 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
88133 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
88134 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
88135 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
88136 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
88137 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
88138 r_pow_t, r_tmp, rr1_delta, rr2_delta
88139
88140 REAL(kind=dp) :: c1, c2, c3
88141 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
88142 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
88143 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
88144 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
88145 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
88146 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
88147 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
88148 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
88149 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
88150 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
88151 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
88152
88153 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
88154
88155 dr = lgth
88156 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
88157
88158 s_r(:, :, :) = 0.0_dp
88159
88160 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
88161
88162 h_to_c_0_0 = sqrt(alpha/pi)
88163
88164 h_to_c_0_1 = 0.0_dp
88165 h_to_c_1_1 = +2*alpha*h_to_c_0_0
88166 h_to_c_0_2 = -1*h_to_c_1_1
88167 h_to_c_1_2 = +2*alpha*h_to_c_0_1
88168 h_to_c_2_2 = +2*alpha*h_to_c_1_1
88169 h_to_c_0_3 = -1*h_to_c_1_2
88170 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
88171 h_to_c_2_3 = +2*alpha*h_to_c_1_2
88172 h_to_c_3_3 = +2*alpha*h_to_c_2_2
88173 h_to_c_0_4 = -1*h_to_c_1_3
88174 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
88175 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
88176 h_to_c_3_4 = +2*alpha*h_to_c_2_3
88177 h_to_c_4_4 = +2*alpha*h_to_c_3_3
88178 h_to_c_0_5 = -1*h_to_c_1_4
88179 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
88180 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
88181 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
88182 h_to_c_4_5 = +2*alpha*h_to_c_3_4
88183 h_to_c_5_5 = +2*alpha*h_to_c_4_4
88184 h_to_c_0_6 = -1*h_to_c_1_5
88185 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
88186 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
88187 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
88188 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
88189 h_to_c_5_6 = +2*alpha*h_to_c_4_5
88190 h_to_c_6_6 = +2*alpha*h_to_c_5_5
88191 h_to_c_0_7 = -1*h_to_c_1_6
88192 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
88193 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
88194 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
88195 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
88196 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
88197 h_to_c_6_7 = +2*alpha*h_to_c_5_6
88198 h_to_c_7_7 = +2*alpha*h_to_c_6_6
88199 h_to_c_0_8 = -1*h_to_c_1_7
88200 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
88201 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
88202 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
88203 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
88204 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
88205 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
88206 h_to_c_7_8 = +2*alpha*h_to_c_6_7
88207 h_to_c_8_8 = +2*alpha*h_to_c_7_7
88208
88209 exp_drsq = exp(-alpha*dr*dr)
88210 exp_2drsq = exp_drsq*exp_drsq
88211
88212 rr1_delta = (ra - rb)/dr
88213
88214 rr1_l = ceiling(-r_c(1) + rr1_delta)
88215 rr1_r = floor(r_c(1) + rr1_delta)
88216
88217 r1 = rr1_l*dr
88218
88219 alpha_e = zeta*zetb/(zeta + zetb)
88220
88221 DO rr1 = rr1_l, rr1_r
88222 s_r_t_0 = 0.0_dp
88223 s_r_t2_0 = 0.0_dp
88224 s_r_t_1 = 0.0_dp
88225 s_r_t2_1 = 0.0_dp
88226 s_r_t_2 = 0.0_dp
88227 s_r_t2_2 = 0.0_dp
88228 s_r_t_3 = 0.0_dp
88229 s_r_t2_3 = 0.0_dp
88230 s_r_t_4 = 0.0_dp
88231 s_r_t2_4 = 0.0_dp
88232 s_r_t_5 = 0.0_dp
88233 s_r_t2_5 = 0.0_dp
88234 s_r_t_6 = 0.0_dp
88235 s_r_t2_6 = 0.0_dp
88236 s_r_t_7 = 0.0_dp
88237 s_r_t2_7 = 0.0_dp
88238 s_r_t_8 = 0.0_dp
88239 s_r_t2_8 = 0.0_dp
88240 r_tmp = r_offset + r1*zeta/(zeta + zetb)
88241 rr2_delta = -r_tmp/dr
88242
88243 rr2_l = ceiling(-r_c(2) + rr2_delta)
88244 rr2_r = floor(r_c(2) + rr2_delta)
88245
88246 r = r_tmp + (rr2_l)*dr
88247
88248 exp2_2rdr = exp(-2*alpha*r*dr)
88249 exp2_rsq = exp(-alpha*r*r)
88250
88251 DO rr2 = rr2_l, rr2_r
88252 r_pow_t = 1.0_dp
88253 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
88254 r_pow_t = r_pow_t*r
88255 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
88256 r_pow_t = r_pow_t*r
88257 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
88258 r_pow_t = r_pow_t*r
88259 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
88260 r_pow_t = r_pow_t*r
88261 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
88262 r_pow_t = r_pow_t*r
88263 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
88264 r_pow_t = r_pow_t*r
88265 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
88266 r_pow_t = r_pow_t*r
88267 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
88268 r_pow_t = r_pow_t*r
88269 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
88270
88271 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
88272 exp2_2rdr = exp2_2rdr*exp_2drsq
88273 r = r + dr
88274 END DO
88275
88276 ! C --> H
88277 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
88278 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
88279 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
88280 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
88281 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
88282 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
88283 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
88284 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
88285 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
88286 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
88287 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
88288 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
88289 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
88290 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
88291 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
88292 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
88293 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
88294 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
88295 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
88296 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
88297 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
88298 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
88299 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
88300 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
88301 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
88302 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
88303 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
88304 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
88305 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
88306 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
88307 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
88308 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
88309 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
88310 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
88311 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
88312 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
88313 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
88314 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
88315 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
88316 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
88317 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
88318 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
88319 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
88320 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
88321 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
88322
88323 ! H --> HH
88324 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
88325
88326 c1 = 1.0_dp/(zeta + zetb)
88327 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
88328 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
88329
88330 e_0_1_0 = zeta*( &
88331 +c2*e_0_0_0&
88332
88333 )
88334 e_0_0_1 = zetb*( &
88335 +c3*e_0_0_0&
88336
88337 )
88338 e_1_1_0 = zeta*( c1*e_0_0_0 &
88339
88340
88341 )
88342 e_1_0_1 = zetb*( c1*e_0_0_0 &
88343
88344
88345 )
88346 e_0_2_0 = zeta*( &
88347 +c2*e_0_1_0&
88348 +2*e_1_1_0 &
88349 -2*e_0_0_0)
88350 e_0_1_1 = zetb*( &
88351 +c3*e_0_1_0&
88352 +2*e_1_1_0 &
88353 )
88354 e_1_2_0 = zeta*( c1*e_0_1_0 &
88355 +c2*e_1_1_0&
88356
88357 )
88358 e_1_1_1 = zetb*( c1*e_0_1_0 &
88359 +c3*e_1_1_0&
88360
88361 )
88362 e_2_2_0 = zeta*( c1*e_1_1_0 &
88363
88364
88365 )
88366 e_2_1_1 = zetb*( c1*e_1_1_0 &
88367
88368
88369 )
88370 e_0_3_0 = zeta*( &
88371 +c2*e_0_2_0&
88372 +2*e_1_2_0 &
88373 -4*e_0_1_0)
88374 e_0_2_1 = zetb*( &
88375 +c3*e_0_2_0&
88376 +2*e_1_2_0 &
88377 )
88378 e_1_3_0 = zeta*( c1*e_0_2_0 &
88379 +c2*e_1_2_0&
88380 +4*e_2_2_0 &
88381 -4*e_1_1_0)
88382 e_1_2_1 = zetb*( c1*e_0_2_0 &
88383 +c3*e_1_2_0&
88384 +4*e_2_2_0 &
88385 )
88386 e_2_3_0 = zeta*( c1*e_1_2_0 &
88387 +c2*e_2_2_0&
88388
88389 )
88390 e_2_2_1 = zetb*( c1*e_1_2_0 &
88391 +c3*e_2_2_0&
88392
88393 )
88394 e_3_3_0 = zeta*( c1*e_2_2_0 &
88395
88396
88397 )
88398 e_3_2_1 = zetb*( c1*e_2_2_0 &
88399
88400
88401 )
88402 e_0_3_1 = zetb*( &
88403 +c3*e_0_3_0&
88404 +2*e_1_3_0 &
88405 )
88406 e_1_3_1 = zetb*( c1*e_0_3_0 &
88407 +c3*e_1_3_0&
88408 +4*e_2_3_0 &
88409 )
88410 e_2_3_1 = zetb*( c1*e_1_3_0 &
88411 +c3*e_2_3_0&
88412 +6*e_3_3_0 &
88413 )
88414 e_3_3_1 = zetb*( c1*e_2_3_0 &
88415 +c3*e_3_3_0&
88416
88417 )
88418 e_4_3_1 = zetb*( c1*e_3_3_0 &
88419
88420
88421 )
88422 e_0_1_1 = zeta*( &
88423 +c2*e_0_0_1&
88424 +2*e_1_0_1 &
88425 )
88426 e_0_0_2 = zetb*( &
88427 +c3*e_0_0_1&
88428 +2*e_1_0_1 &
88429 -2*e_0_0_0)
88430 e_1_1_1 = zeta*( c1*e_0_0_1 &
88431 +c2*e_1_0_1&
88432
88433 )
88434 e_1_0_2 = zetb*( c1*e_0_0_1 &
88435 +c3*e_1_0_1&
88436
88437 )
88438 e_2_1_1 = zeta*( c1*e_1_0_1 &
88439
88440
88441 )
88442 e_2_0_2 = zetb*( c1*e_1_0_1 &
88443
88444
88445 )
88446 e_0_2_1 = zeta*( &
88447 +c2*e_0_1_1&
88448 +2*e_1_1_1 &
88449 -2*e_0_0_1)
88450 e_0_1_2 = zetb*( &
88451 +c3*e_0_1_1&
88452 +2*e_1_1_1 &
88453 -2*e_0_1_0)
88454 e_1_2_1 = zeta*( c1*e_0_1_1 &
88455 +c2*e_1_1_1&
88456 +4*e_2_1_1 &
88457 -2*e_1_0_1)
88458 e_1_1_2 = zetb*( c1*e_0_1_1 &
88459 +c3*e_1_1_1&
88460 +4*e_2_1_1 &
88461 -2*e_1_1_0)
88462 e_2_2_1 = zeta*( c1*e_1_1_1 &
88463 +c2*e_2_1_1&
88464
88465 )
88466 e_2_1_2 = zetb*( c1*e_1_1_1 &
88467 +c3*e_2_1_1&
88468
88469 )
88470 e_3_2_1 = zeta*( c1*e_2_1_1 &
88471
88472
88473 )
88474 e_3_1_2 = zetb*( c1*e_2_1_1 &
88475
88476
88477 )
88478 e_0_3_1 = zeta*( &
88479 +c2*e_0_2_1&
88480 +2*e_1_2_1 &
88481 -4*e_0_1_1)
88482 e_0_2_2 = zetb*( &
88483 +c3*e_0_2_1&
88484 +2*e_1_2_1 &
88485 -2*e_0_2_0)
88486 e_1_3_1 = zeta*( c1*e_0_2_1 &
88487 +c2*e_1_2_1&
88488 +4*e_2_2_1 &
88489 -4*e_1_1_1)
88490 e_1_2_2 = zetb*( c1*e_0_2_1 &
88491 +c3*e_1_2_1&
88492 +4*e_2_2_1 &
88493 -2*e_1_2_0)
88494 e_2_3_1 = zeta*( c1*e_1_2_1 &
88495 +c2*e_2_2_1&
88496 +6*e_3_2_1 &
88497 -4*e_2_1_1)
88498 e_2_2_2 = zetb*( c1*e_1_2_1 &
88499 +c3*e_2_2_1&
88500 +6*e_3_2_1 &
88501 -2*e_2_2_0)
88502 e_3_3_1 = zeta*( c1*e_2_2_1 &
88503 +c2*e_3_2_1&
88504
88505 )
88506 e_3_2_2 = zetb*( c1*e_2_2_1 &
88507 +c3*e_3_2_1&
88508
88509 )
88510 e_4_3_1 = zeta*( c1*e_3_2_1 &
88511
88512
88513 )
88514 e_4_2_2 = zetb*( c1*e_3_2_1 &
88515
88516
88517 )
88518 e_0_3_2 = zetb*( &
88519 +c3*e_0_3_1&
88520 +2*e_1_3_1 &
88521 -2*e_0_3_0)
88522 e_1_3_2 = zetb*( c1*e_0_3_1 &
88523 +c3*e_1_3_1&
88524 +4*e_2_3_1 &
88525 -2*e_1_3_0)
88526 e_2_3_2 = zetb*( c1*e_1_3_1 &
88527 +c3*e_2_3_1&
88528 +6*e_3_3_1 &
88529 -2*e_2_3_0)
88530 e_3_3_2 = zetb*( c1*e_2_3_1 &
88531 +c3*e_3_3_1&
88532 +8*e_4_3_1 &
88533 -2*e_3_3_0)
88534 e_4_3_2 = zetb*( c1*e_3_3_1 &
88535 +c3*e_4_3_1&
88536
88537 )
88538 e_5_3_2 = zetb*( c1*e_4_3_1 &
88539
88540
88541 )
88542 e_0_1_2 = zeta*( &
88543 +c2*e_0_0_2&
88544 +2*e_1_0_2 &
88545 )
88546 e_1_1_2 = zeta*( c1*e_0_0_2 &
88547 +c2*e_1_0_2&
88548 +4*e_2_0_2 &
88549 )
88550 e_2_1_2 = zeta*( c1*e_1_0_2 &
88551 +c2*e_2_0_2&
88552
88553 )
88554 e_3_1_2 = zeta*( c1*e_2_0_2 &
88555
88556
88557 )
88558 e_0_2_2 = zeta*( &
88559 +c2*e_0_1_2&
88560 +2*e_1_1_2 &
88561 -2*e_0_0_2)
88562 e_1_2_2 = zeta*( c1*e_0_1_2 &
88563 +c2*e_1_1_2&
88564 +4*e_2_1_2 &
88565 -2*e_1_0_2)
88566 e_2_2_2 = zeta*( c1*e_1_1_2 &
88567 +c2*e_2_1_2&
88568 +6*e_3_1_2 &
88569 -2*e_2_0_2)
88570 e_3_2_2 = zeta*( c1*e_2_1_2 &
88571 +c2*e_3_1_2&
88572
88573 )
88574 e_4_2_2 = zeta*( c1*e_3_1_2 &
88575
88576
88577 )
88578 e_0_3_2 = zeta*( &
88579 +c2*e_0_2_2&
88580 +2*e_1_2_2 &
88581 -4*e_0_1_2)
88582 e_1_3_2 = zeta*( c1*e_0_2_2 &
88583 +c2*e_1_2_2&
88584 +4*e_2_2_2 &
88585 -4*e_1_1_2)
88586 e_2_3_2 = zeta*( c1*e_1_2_2 &
88587 +c2*e_2_2_2&
88588 +6*e_3_2_2 &
88589 -4*e_2_1_2)
88590 e_3_3_2 = zeta*( c1*e_2_2_2 &
88591 +c2*e_3_2_2&
88592 +8*e_4_2_2 &
88593 -4*e_3_1_2)
88594 e_4_3_2 = zeta*( c1*e_3_2_2 &
88595 +c2*e_4_2_2&
88596
88597 )
88598 e_5_3_2 = zeta*( c1*e_4_2_2 &
88599
88600
88601 )
88602
88603 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
88604 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
88605 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
88606 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
88607 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
88608 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88609 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
88610 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
88611 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88612 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88613 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
88614 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
88615 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
88616 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
88617 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88618 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
88619 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
88620 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88621 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88622 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
88623 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
88624 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88625 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88626 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88627 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
88628 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
88629 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88630 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
88631 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
88632 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88633 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88634 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
88635 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
88636 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88637 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88638 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88639 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
88640 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
88641 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88642 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88643 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88644 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88645 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
88646 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
88647 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
88648 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
88649 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
88650 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88651 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
88652 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
88653 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88654 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88655 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
88656 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
88657 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
88658 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
88659 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88660 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
88661 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
88662 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88663 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88664 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
88665 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
88666 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88667 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88668 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88669 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
88670 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
88671 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88672 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
88673 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
88674 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88675 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88676 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
88677 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
88678 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88679 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88680 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88681 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
88682 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
88683 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88684 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88685 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88686 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88687 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
88688 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
88689 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
88690 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88691 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
88692 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
88693 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88694 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88695 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
88696 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
88697 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
88698 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
88699 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88700 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
88701 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
88702 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88703 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88704 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
88705 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
88706 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88707 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88708 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88709 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
88710 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
88711 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88712 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
88713 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
88714 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88715 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88716 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
88717 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
88718 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88719 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88720 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88721 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
88722 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
88723 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88724 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88725 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88726 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88727 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
88728 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
88729 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
88730 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
88731 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
88732 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88733 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
88734 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
88735 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88736 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88737 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
88738 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
88739 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
88740 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
88741 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88742 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
88743 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
88744 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88745 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88746 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
88747 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
88748 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88749 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88750 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88751 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
88752 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
88753 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88754 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
88755 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
88756 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88757 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88758 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
88759 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
88760 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88761 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88762 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88763 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
88764 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
88765 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88766 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88767 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88768 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88769 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
88770 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
88771 r1 = r1 + dr
88772 END DO
88773
88774 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
88775 END SUBROUTINE
88776 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_4_exp_1 ( &
88777 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
88778 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
88779 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
88780 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
88781 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
88782 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
88783 r_pow_t, r_tmp, rr1_delta, rr2_delta
88784
88785 REAL(kind=dp) :: c1, c2, c3
88786 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
88787 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
88788 & s_r_t2_9
88789 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
88790 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
88791 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
88792 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
88793 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
88794 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
88795 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
88796 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
88797 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
88798 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
88799
88800 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
88801
88802 dr = lgth
88803 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
88804
88805 s_r(:, :, :) = 0.0_dp
88806
88807 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
88808
88809 h_to_c_0_0 = sqrt(alpha/pi)
88810
88811 h_to_c_0_1 = 0.0_dp
88812 h_to_c_1_1 = +2*alpha*h_to_c_0_0
88813 h_to_c_0_2 = -1*h_to_c_1_1
88814 h_to_c_1_2 = +2*alpha*h_to_c_0_1
88815 h_to_c_2_2 = +2*alpha*h_to_c_1_1
88816 h_to_c_0_3 = -1*h_to_c_1_2
88817 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
88818 h_to_c_2_3 = +2*alpha*h_to_c_1_2
88819 h_to_c_3_3 = +2*alpha*h_to_c_2_2
88820 h_to_c_0_4 = -1*h_to_c_1_3
88821 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
88822 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
88823 h_to_c_3_4 = +2*alpha*h_to_c_2_3
88824 h_to_c_4_4 = +2*alpha*h_to_c_3_3
88825 h_to_c_0_5 = -1*h_to_c_1_4
88826 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
88827 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
88828 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
88829 h_to_c_4_5 = +2*alpha*h_to_c_3_4
88830 h_to_c_5_5 = +2*alpha*h_to_c_4_4
88831 h_to_c_0_6 = -1*h_to_c_1_5
88832 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
88833 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
88834 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
88835 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
88836 h_to_c_5_6 = +2*alpha*h_to_c_4_5
88837 h_to_c_6_6 = +2*alpha*h_to_c_5_5
88838 h_to_c_0_7 = -1*h_to_c_1_6
88839 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
88840 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
88841 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
88842 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
88843 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
88844 h_to_c_6_7 = +2*alpha*h_to_c_5_6
88845 h_to_c_7_7 = +2*alpha*h_to_c_6_6
88846 h_to_c_0_8 = -1*h_to_c_1_7
88847 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
88848 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
88849 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
88850 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
88851 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
88852 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
88853 h_to_c_7_8 = +2*alpha*h_to_c_6_7
88854 h_to_c_8_8 = +2*alpha*h_to_c_7_7
88855 h_to_c_0_9 = -1*h_to_c_1_8
88856 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
88857 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
88858 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
88859 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
88860 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
88861 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
88862 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
88863 h_to_c_8_9 = +2*alpha*h_to_c_7_8
88864 h_to_c_9_9 = +2*alpha*h_to_c_8_8
88865
88866 exp_drsq = exp(-alpha*dr*dr)
88867 exp_2drsq = exp_drsq*exp_drsq
88868
88869 rr1_delta = (ra - rb)/dr
88870
88871 rr1_l = ceiling(-r_c(1) + rr1_delta)
88872 rr1_r = floor(r_c(1) + rr1_delta)
88873
88874 r1 = rr1_l*dr
88875
88876 alpha_e = zeta*zetb/(zeta + zetb)
88877
88878 DO rr1 = rr1_l, rr1_r
88879 s_r_t_0 = 0.0_dp
88880 s_r_t2_0 = 0.0_dp
88881 s_r_t_1 = 0.0_dp
88882 s_r_t2_1 = 0.0_dp
88883 s_r_t_2 = 0.0_dp
88884 s_r_t2_2 = 0.0_dp
88885 s_r_t_3 = 0.0_dp
88886 s_r_t2_3 = 0.0_dp
88887 s_r_t_4 = 0.0_dp
88888 s_r_t2_4 = 0.0_dp
88889 s_r_t_5 = 0.0_dp
88890 s_r_t2_5 = 0.0_dp
88891 s_r_t_6 = 0.0_dp
88892 s_r_t2_6 = 0.0_dp
88893 s_r_t_7 = 0.0_dp
88894 s_r_t2_7 = 0.0_dp
88895 s_r_t_8 = 0.0_dp
88896 s_r_t2_8 = 0.0_dp
88897 s_r_t_9 = 0.0_dp
88898 s_r_t2_9 = 0.0_dp
88899 r_tmp = r_offset + r1*zeta/(zeta + zetb)
88900 rr2_delta = -r_tmp/dr
88901
88902 rr2_l = ceiling(-r_c(2) + rr2_delta)
88903 rr2_r = floor(r_c(2) + rr2_delta)
88904
88905 r = r_tmp + (rr2_l)*dr
88906
88907 exp2_2rdr = exp(-2*alpha*r*dr)
88908 exp2_rsq = exp(-alpha*r*r)
88909
88910 DO rr2 = rr2_l, rr2_r
88911 r_pow_t = 1.0_dp
88912 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
88913 r_pow_t = r_pow_t*r
88914 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
88915 r_pow_t = r_pow_t*r
88916 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
88917 r_pow_t = r_pow_t*r
88918 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
88919 r_pow_t = r_pow_t*r
88920 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
88921 r_pow_t = r_pow_t*r
88922 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
88923 r_pow_t = r_pow_t*r
88924 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
88925 r_pow_t = r_pow_t*r
88926 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
88927 r_pow_t = r_pow_t*r
88928 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
88929 r_pow_t = r_pow_t*r
88930 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
88931
88932 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
88933 exp2_2rdr = exp2_2rdr*exp_2drsq
88934 r = r + dr
88935 END DO
88936
88937 ! C --> H
88938 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
88939 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
88940 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
88941 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
88942 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
88943 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
88944 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
88945 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
88946 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
88947 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
88948 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
88949 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
88950 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
88951 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
88952 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
88953 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
88954 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
88955 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
88956 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
88957 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
88958 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
88959 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
88960 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
88961 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
88962 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
88963 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
88964 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
88965 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
88966 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
88967 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
88968 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
88969 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
88970 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
88971 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
88972 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
88973 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
88974 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
88975 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
88976 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
88977 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
88978 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
88979 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
88980 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
88981 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
88982 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
88983 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
88984 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
88985 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
88986 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
88987 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
88988 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
88989 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
88990 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
88991 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
88992 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
88993
88994 ! H --> HH
88995 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
88996
88997 c1 = 1.0_dp/(zeta + zetb)
88998 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
88999 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
89000
89001 e_0_1_0 = zeta*( &
89002 +c2*e_0_0_0&
89003
89004 )
89005 e_0_0_1 = zetb*( &
89006 +c3*e_0_0_0&
89007
89008 )
89009 e_1_1_0 = zeta*( c1*e_0_0_0 &
89010
89011
89012 )
89013 e_1_0_1 = zetb*( c1*e_0_0_0 &
89014
89015
89016 )
89017 e_0_2_0 = zeta*( &
89018 +c2*e_0_1_0&
89019 +2*e_1_1_0 &
89020 -2*e_0_0_0)
89021 e_0_1_1 = zetb*( &
89022 +c3*e_0_1_0&
89023 +2*e_1_1_0 &
89024 )
89025 e_1_2_0 = zeta*( c1*e_0_1_0 &
89026 +c2*e_1_1_0&
89027
89028 )
89029 e_1_1_1 = zetb*( c1*e_0_1_0 &
89030 +c3*e_1_1_0&
89031
89032 )
89033 e_2_2_0 = zeta*( c1*e_1_1_0 &
89034
89035
89036 )
89037 e_2_1_1 = zetb*( c1*e_1_1_0 &
89038
89039
89040 )
89041 e_0_3_0 = zeta*( &
89042 +c2*e_0_2_0&
89043 +2*e_1_2_0 &
89044 -4*e_0_1_0)
89045 e_0_2_1 = zetb*( &
89046 +c3*e_0_2_0&
89047 +2*e_1_2_0 &
89048 )
89049 e_1_3_0 = zeta*( c1*e_0_2_0 &
89050 +c2*e_1_2_0&
89051 +4*e_2_2_0 &
89052 -4*e_1_1_0)
89053 e_1_2_1 = zetb*( c1*e_0_2_0 &
89054 +c3*e_1_2_0&
89055 +4*e_2_2_0 &
89056 )
89057 e_2_3_0 = zeta*( c1*e_1_2_0 &
89058 +c2*e_2_2_0&
89059
89060 )
89061 e_2_2_1 = zetb*( c1*e_1_2_0 &
89062 +c3*e_2_2_0&
89063
89064 )
89065 e_3_3_0 = zeta*( c1*e_2_2_0 &
89066
89067
89068 )
89069 e_3_2_1 = zetb*( c1*e_2_2_0 &
89070
89071
89072 )
89073 e_0_3_1 = zetb*( &
89074 +c3*e_0_3_0&
89075 +2*e_1_3_0 &
89076 )
89077 e_1_3_1 = zetb*( c1*e_0_3_0 &
89078 +c3*e_1_3_0&
89079 +4*e_2_3_0 &
89080 )
89081 e_2_3_1 = zetb*( c1*e_1_3_0 &
89082 +c3*e_2_3_0&
89083 +6*e_3_3_0 &
89084 )
89085 e_3_3_1 = zetb*( c1*e_2_3_0 &
89086 +c3*e_3_3_0&
89087
89088 )
89089 e_4_3_1 = zetb*( c1*e_3_3_0 &
89090
89091
89092 )
89093 e_0_1_1 = zeta*( &
89094 +c2*e_0_0_1&
89095 +2*e_1_0_1 &
89096 )
89097 e_0_0_2 = zetb*( &
89098 +c3*e_0_0_1&
89099 +2*e_1_0_1 &
89100 -2*e_0_0_0)
89101 e_1_1_1 = zeta*( c1*e_0_0_1 &
89102 +c2*e_1_0_1&
89103
89104 )
89105 e_1_0_2 = zetb*( c1*e_0_0_1 &
89106 +c3*e_1_0_1&
89107
89108 )
89109 e_2_1_1 = zeta*( c1*e_1_0_1 &
89110
89111
89112 )
89113 e_2_0_2 = zetb*( c1*e_1_0_1 &
89114
89115
89116 )
89117 e_0_2_1 = zeta*( &
89118 +c2*e_0_1_1&
89119 +2*e_1_1_1 &
89120 -2*e_0_0_1)
89121 e_0_1_2 = zetb*( &
89122 +c3*e_0_1_1&
89123 +2*e_1_1_1 &
89124 -2*e_0_1_0)
89125 e_1_2_1 = zeta*( c1*e_0_1_1 &
89126 +c2*e_1_1_1&
89127 +4*e_2_1_1 &
89128 -2*e_1_0_1)
89129 e_1_1_2 = zetb*( c1*e_0_1_1 &
89130 +c3*e_1_1_1&
89131 +4*e_2_1_1 &
89132 -2*e_1_1_0)
89133 e_2_2_1 = zeta*( c1*e_1_1_1 &
89134 +c2*e_2_1_1&
89135
89136 )
89137 e_2_1_2 = zetb*( c1*e_1_1_1 &
89138 +c3*e_2_1_1&
89139
89140 )
89141 e_3_2_1 = zeta*( c1*e_2_1_1 &
89142
89143
89144 )
89145 e_3_1_2 = zetb*( c1*e_2_1_1 &
89146
89147
89148 )
89149 e_0_3_1 = zeta*( &
89150 +c2*e_0_2_1&
89151 +2*e_1_2_1 &
89152 -4*e_0_1_1)
89153 e_0_2_2 = zetb*( &
89154 +c3*e_0_2_1&
89155 +2*e_1_2_1 &
89156 -2*e_0_2_0)
89157 e_1_3_1 = zeta*( c1*e_0_2_1 &
89158 +c2*e_1_2_1&
89159 +4*e_2_2_1 &
89160 -4*e_1_1_1)
89161 e_1_2_2 = zetb*( c1*e_0_2_1 &
89162 +c3*e_1_2_1&
89163 +4*e_2_2_1 &
89164 -2*e_1_2_0)
89165 e_2_3_1 = zeta*( c1*e_1_2_1 &
89166 +c2*e_2_2_1&
89167 +6*e_3_2_1 &
89168 -4*e_2_1_1)
89169 e_2_2_2 = zetb*( c1*e_1_2_1 &
89170 +c3*e_2_2_1&
89171 +6*e_3_2_1 &
89172 -2*e_2_2_0)
89173 e_3_3_1 = zeta*( c1*e_2_2_1 &
89174 +c2*e_3_2_1&
89175
89176 )
89177 e_3_2_2 = zetb*( c1*e_2_2_1 &
89178 +c3*e_3_2_1&
89179
89180 )
89181 e_4_3_1 = zeta*( c1*e_3_2_1 &
89182
89183
89184 )
89185 e_4_2_2 = zetb*( c1*e_3_2_1 &
89186
89187
89188 )
89189 e_0_3_2 = zetb*( &
89190 +c3*e_0_3_1&
89191 +2*e_1_3_1 &
89192 -2*e_0_3_0)
89193 e_1_3_2 = zetb*( c1*e_0_3_1 &
89194 +c3*e_1_3_1&
89195 +4*e_2_3_1 &
89196 -2*e_1_3_0)
89197 e_2_3_2 = zetb*( c1*e_1_3_1 &
89198 +c3*e_2_3_1&
89199 +6*e_3_3_1 &
89200 -2*e_2_3_0)
89201 e_3_3_2 = zetb*( c1*e_2_3_1 &
89202 +c3*e_3_3_1&
89203 +8*e_4_3_1 &
89204 -2*e_3_3_0)
89205 e_4_3_2 = zetb*( c1*e_3_3_1 &
89206 +c3*e_4_3_1&
89207
89208 )
89209 e_5_3_2 = zetb*( c1*e_4_3_1 &
89210
89211
89212 )
89213 e_0_1_2 = zeta*( &
89214 +c2*e_0_0_2&
89215 +2*e_1_0_2 &
89216 )
89217 e_1_1_2 = zeta*( c1*e_0_0_2 &
89218 +c2*e_1_0_2&
89219 +4*e_2_0_2 &
89220 )
89221 e_2_1_2 = zeta*( c1*e_1_0_2 &
89222 +c2*e_2_0_2&
89223
89224 )
89225 e_3_1_2 = zeta*( c1*e_2_0_2 &
89226
89227
89228 )
89229 e_0_2_2 = zeta*( &
89230 +c2*e_0_1_2&
89231 +2*e_1_1_2 &
89232 -2*e_0_0_2)
89233 e_1_2_2 = zeta*( c1*e_0_1_2 &
89234 +c2*e_1_1_2&
89235 +4*e_2_1_2 &
89236 -2*e_1_0_2)
89237 e_2_2_2 = zeta*( c1*e_1_1_2 &
89238 +c2*e_2_1_2&
89239 +6*e_3_1_2 &
89240 -2*e_2_0_2)
89241 e_3_2_2 = zeta*( c1*e_2_1_2 &
89242 +c2*e_3_1_2&
89243
89244 )
89245 e_4_2_2 = zeta*( c1*e_3_1_2 &
89246
89247
89248 )
89249 e_0_3_2 = zeta*( &
89250 +c2*e_0_2_2&
89251 +2*e_1_2_2 &
89252 -4*e_0_1_2)
89253 e_1_3_2 = zeta*( c1*e_0_2_2 &
89254 +c2*e_1_2_2&
89255 +4*e_2_2_2 &
89256 -4*e_1_1_2)
89257 e_2_3_2 = zeta*( c1*e_1_2_2 &
89258 +c2*e_2_2_2&
89259 +6*e_3_2_2 &
89260 -4*e_2_1_2)
89261 e_3_3_2 = zeta*( c1*e_2_2_2 &
89262 +c2*e_3_2_2&
89263 +8*e_4_2_2 &
89264 -4*e_3_1_2)
89265 e_4_3_2 = zeta*( c1*e_3_2_2 &
89266 +c2*e_4_2_2&
89267
89268 )
89269 e_5_3_2 = zeta*( c1*e_4_2_2 &
89270
89271
89272 )
89273
89274 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
89275 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
89276 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
89277 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
89278 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
89279 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
89280 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
89281 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
89282 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
89283 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
89284 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
89285 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
89286 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
89287 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
89288 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
89289 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
89290 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
89291 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
89292 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
89293 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
89294 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
89295 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
89296 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
89297 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89298 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
89299 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
89300 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
89301 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
89302 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
89303 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
89304 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
89305 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
89306 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
89307 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
89308 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
89309 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89310 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
89311 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
89312 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
89313 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
89314 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89315 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89316 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
89317 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
89318 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
89319 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
89320 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
89321 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
89322 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
89323 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
89324 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
89325 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
89326 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
89327 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
89328 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
89329 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
89330 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
89331 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
89332 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
89333 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
89334 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
89335 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
89336 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
89337 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
89338 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
89339 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
89340 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
89341 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
89342 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
89343 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
89344 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
89345 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
89346 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
89347 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
89348 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
89349 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
89350 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
89351 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
89352 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
89353 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
89354 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
89355 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
89356 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
89357 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
89358 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
89359 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
89360 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
89361 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
89362 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
89363 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
89364 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
89365 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
89366 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
89367 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
89368 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
89369 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
89370 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
89371 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
89372 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
89373 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
89374 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
89375 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
89376 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
89377 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
89378 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
89379 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89380 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
89381 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
89382 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
89383 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
89384 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
89385 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
89386 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
89387 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
89388 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
89389 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
89390 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
89391 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89392 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
89393 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
89394 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
89395 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
89396 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89397 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89398 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
89399 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
89400 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
89401 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
89402 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
89403 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
89404 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
89405 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
89406 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
89407 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
89408 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
89409 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
89410 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
89411 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
89412 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
89413 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
89414 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
89415 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
89416 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
89417 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
89418 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
89419 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
89420 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
89421 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
89422 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
89423 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
89424 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
89425 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
89426 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
89427 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
89428 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
89429 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
89430 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
89431 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
89432 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
89433 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
89434 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
89435 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
89436 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
89437 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
89438 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
89439 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
89440 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
89441 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
89442 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
89443 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
89444 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
89445 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
89446 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
89447 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
89448 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
89449 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
89450 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
89451 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
89452 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
89453 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
89454 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
89455 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
89456 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
89457 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
89458 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
89459 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
89460 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
89461 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89462 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
89463 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
89464 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
89465 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
89466 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
89467 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
89468 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
89469 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
89470 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
89471 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
89472 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
89473 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89474 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
89475 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
89476 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
89477 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
89478 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89479 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89480 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
89481 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
89482 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
89483 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
89484 r1 = r1 + dr
89485 END DO
89486
89487 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
89488 END SUBROUTINE
89489 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_0_exp_1 ( &
89490 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
89491 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
89492 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
89493 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
89494 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
89495 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
89496 r_pow_t, r_tmp, rr1_delta, rr2_delta
89497
89498 REAL(kind=dp) :: c1, c2, c3
89499 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
89500 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
89501 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
89502 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
89503 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
89504 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
89505 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
89506 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
89507 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
89508 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
89509
89510 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
89511
89512 dr = lgth
89513 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
89514
89515 s_r(:, :, :) = 0.0_dp
89516
89517 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
89518
89519 h_to_c_0_0 = sqrt(alpha/pi)
89520
89521 h_to_c_0_1 = 0.0_dp
89522 h_to_c_1_1 = +2*alpha*h_to_c_0_0
89523 h_to_c_0_2 = -1*h_to_c_1_1
89524 h_to_c_1_2 = +2*alpha*h_to_c_0_1
89525 h_to_c_2_2 = +2*alpha*h_to_c_1_1
89526 h_to_c_0_3 = -1*h_to_c_1_2
89527 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
89528 h_to_c_2_3 = +2*alpha*h_to_c_1_2
89529 h_to_c_3_3 = +2*alpha*h_to_c_2_2
89530 h_to_c_0_4 = -1*h_to_c_1_3
89531 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
89532 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
89533 h_to_c_3_4 = +2*alpha*h_to_c_2_3
89534 h_to_c_4_4 = +2*alpha*h_to_c_3_3
89535 h_to_c_0_5 = -1*h_to_c_1_4
89536 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
89537 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
89538 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
89539 h_to_c_4_5 = +2*alpha*h_to_c_3_4
89540 h_to_c_5_5 = +2*alpha*h_to_c_4_4
89541 h_to_c_0_6 = -1*h_to_c_1_5
89542 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
89543 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
89544 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
89545 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
89546 h_to_c_5_6 = +2*alpha*h_to_c_4_5
89547 h_to_c_6_6 = +2*alpha*h_to_c_5_5
89548
89549 exp_drsq = exp(-alpha*dr*dr)
89550 exp_2drsq = exp_drsq*exp_drsq
89551
89552 rr1_delta = (ra - rb)/dr
89553
89554 rr1_l = ceiling(-r_c(1) + rr1_delta)
89555 rr1_r = floor(r_c(1) + rr1_delta)
89556
89557 r1 = rr1_l*dr
89558
89559 alpha_e = zeta*zetb/(zeta + zetb)
89560
89561 DO rr1 = rr1_l, rr1_r
89562 s_r_t_0 = 0.0_dp
89563 s_r_t2_0 = 0.0_dp
89564 s_r_t_1 = 0.0_dp
89565 s_r_t2_1 = 0.0_dp
89566 s_r_t_2 = 0.0_dp
89567 s_r_t2_2 = 0.0_dp
89568 s_r_t_3 = 0.0_dp
89569 s_r_t2_3 = 0.0_dp
89570 s_r_t_4 = 0.0_dp
89571 s_r_t2_4 = 0.0_dp
89572 s_r_t_5 = 0.0_dp
89573 s_r_t2_5 = 0.0_dp
89574 s_r_t_6 = 0.0_dp
89575 s_r_t2_6 = 0.0_dp
89576 r_tmp = r_offset + r1*zeta/(zeta + zetb)
89577 rr2_delta = -r_tmp/dr
89578
89579 rr2_l = ceiling(-r_c(2) + rr2_delta)
89580 rr2_r = floor(r_c(2) + rr2_delta)
89581
89582 r = r_tmp + (rr2_l)*dr
89583
89584 exp2_2rdr = exp(-2*alpha*r*dr)
89585 exp2_rsq = exp(-alpha*r*r)
89586
89587 DO rr2 = rr2_l, rr2_r
89588 r_pow_t = 1.0_dp
89589 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
89590 r_pow_t = r_pow_t*r
89591 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
89592 r_pow_t = r_pow_t*r
89593 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
89594 r_pow_t = r_pow_t*r
89595 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
89596 r_pow_t = r_pow_t*r
89597 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
89598 r_pow_t = r_pow_t*r
89599 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
89600 r_pow_t = r_pow_t*r
89601 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
89602
89603 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
89604 exp2_2rdr = exp2_2rdr*exp_2drsq
89605 r = r + dr
89606 END DO
89607
89608 ! C --> H
89609 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
89610 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
89611 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
89612 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
89613 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
89614 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
89615 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
89616 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
89617 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
89618 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
89619 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
89620 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
89621 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
89622 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
89623 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
89624 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
89625 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
89626 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
89627 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
89628 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
89629 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
89630 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
89631 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
89632 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
89633 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
89634 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
89635 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
89636 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
89637
89638 ! H --> HH
89639 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
89640
89641 c1 = 1.0_dp/(zeta + zetb)
89642 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
89643 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
89644
89645 e_0_1_0 = zeta*( &
89646 +c2*e_0_0_0&
89647
89648 )
89649 e_0_0_1 = zetb*( &
89650 +c3*e_0_0_0&
89651
89652 )
89653 e_1_1_0 = zeta*( c1*e_0_0_0 &
89654
89655
89656 )
89657 e_1_0_1 = zetb*( c1*e_0_0_0 &
89658
89659
89660 )
89661 e_0_2_0 = zeta*( &
89662 +c2*e_0_1_0&
89663 +2*e_1_1_0 &
89664 -2*e_0_0_0)
89665 e_0_1_1 = zetb*( &
89666 +c3*e_0_1_0&
89667 +2*e_1_1_0 &
89668 )
89669 e_1_2_0 = zeta*( c1*e_0_1_0 &
89670 +c2*e_1_1_0&
89671
89672 )
89673 e_1_1_1 = zetb*( c1*e_0_1_0 &
89674 +c3*e_1_1_0&
89675
89676 )
89677 e_2_2_0 = zeta*( c1*e_1_1_0 &
89678
89679
89680 )
89681 e_2_1_1 = zetb*( c1*e_1_1_0 &
89682
89683
89684 )
89685 e_0_3_0 = zeta*( &
89686 +c2*e_0_2_0&
89687 +2*e_1_2_0 &
89688 -4*e_0_1_0)
89689 e_0_2_1 = zetb*( &
89690 +c3*e_0_2_0&
89691 +2*e_1_2_0 &
89692 )
89693 e_1_3_0 = zeta*( c1*e_0_2_0 &
89694 +c2*e_1_2_0&
89695 +4*e_2_2_0 &
89696 -4*e_1_1_0)
89697 e_1_2_1 = zetb*( c1*e_0_2_0 &
89698 +c3*e_1_2_0&
89699 +4*e_2_2_0 &
89700 )
89701 e_2_3_0 = zeta*( c1*e_1_2_0 &
89702 +c2*e_2_2_0&
89703
89704 )
89705 e_2_2_1 = zetb*( c1*e_1_2_0 &
89706 +c3*e_2_2_0&
89707
89708 )
89709 e_3_3_0 = zeta*( c1*e_2_2_0 &
89710
89711
89712 )
89713 e_3_2_1 = zetb*( c1*e_2_2_0 &
89714
89715
89716 )
89717 e_0_3_1 = zetb*( &
89718 +c3*e_0_3_0&
89719 +2*e_1_3_0 &
89720 )
89721 e_1_3_1 = zetb*( c1*e_0_3_0 &
89722 +c3*e_1_3_0&
89723 +4*e_2_3_0 &
89724 )
89725 e_2_3_1 = zetb*( c1*e_1_3_0 &
89726 +c3*e_2_3_0&
89727 +6*e_3_3_0 &
89728 )
89729 e_3_3_1 = zetb*( c1*e_2_3_0 &
89730 +c3*e_3_3_0&
89731
89732 )
89733 e_4_3_1 = zetb*( c1*e_3_3_0 &
89734
89735
89736 )
89737 e_0_1_1 = zeta*( &
89738 +c2*e_0_0_1&
89739 +2*e_1_0_1 &
89740 )
89741 e_0_0_2 = zetb*( &
89742 +c3*e_0_0_1&
89743 +2*e_1_0_1 &
89744 -2*e_0_0_0)
89745 e_1_1_1 = zeta*( c1*e_0_0_1 &
89746 +c2*e_1_0_1&
89747
89748 )
89749 e_1_0_2 = zetb*( c1*e_0_0_1 &
89750 +c3*e_1_0_1&
89751
89752 )
89753 e_2_1_1 = zeta*( c1*e_1_0_1 &
89754
89755
89756 )
89757 e_2_0_2 = zetb*( c1*e_1_0_1 &
89758
89759
89760 )
89761 e_0_2_1 = zeta*( &
89762 +c2*e_0_1_1&
89763 +2*e_1_1_1 &
89764 -2*e_0_0_1)
89765 e_0_1_2 = zetb*( &
89766 +c3*e_0_1_1&
89767 +2*e_1_1_1 &
89768 -2*e_0_1_0)
89769 e_1_2_1 = zeta*( c1*e_0_1_1 &
89770 +c2*e_1_1_1&
89771 +4*e_2_1_1 &
89772 -2*e_1_0_1)
89773 e_1_1_2 = zetb*( c1*e_0_1_1 &
89774 +c3*e_1_1_1&
89775 +4*e_2_1_1 &
89776 -2*e_1_1_0)
89777 e_2_2_1 = zeta*( c1*e_1_1_1 &
89778 +c2*e_2_1_1&
89779
89780 )
89781 e_2_1_2 = zetb*( c1*e_1_1_1 &
89782 +c3*e_2_1_1&
89783
89784 )
89785 e_3_2_1 = zeta*( c1*e_2_1_1 &
89786
89787
89788 )
89789 e_3_1_2 = zetb*( c1*e_2_1_1 &
89790
89791
89792 )
89793 e_0_3_1 = zeta*( &
89794 +c2*e_0_2_1&
89795 +2*e_1_2_1 &
89796 -4*e_0_1_1)
89797 e_0_2_2 = zetb*( &
89798 +c3*e_0_2_1&
89799 +2*e_1_2_1 &
89800 -2*e_0_2_0)
89801 e_1_3_1 = zeta*( c1*e_0_2_1 &
89802 +c2*e_1_2_1&
89803 +4*e_2_2_1 &
89804 -4*e_1_1_1)
89805 e_1_2_2 = zetb*( c1*e_0_2_1 &
89806 +c3*e_1_2_1&
89807 +4*e_2_2_1 &
89808 -2*e_1_2_0)
89809 e_2_3_1 = zeta*( c1*e_1_2_1 &
89810 +c2*e_2_2_1&
89811 +6*e_3_2_1 &
89812 -4*e_2_1_1)
89813 e_2_2_2 = zetb*( c1*e_1_2_1 &
89814 +c3*e_2_2_1&
89815 +6*e_3_2_1 &
89816 -2*e_2_2_0)
89817 e_3_3_1 = zeta*( c1*e_2_2_1 &
89818 +c2*e_3_2_1&
89819
89820 )
89821 e_3_2_2 = zetb*( c1*e_2_2_1 &
89822 +c3*e_3_2_1&
89823
89824 )
89825 e_4_3_1 = zeta*( c1*e_3_2_1 &
89826
89827
89828 )
89829 e_4_2_2 = zetb*( c1*e_3_2_1 &
89830
89831
89832 )
89833 e_0_3_2 = zetb*( &
89834 +c3*e_0_3_1&
89835 +2*e_1_3_1 &
89836 -2*e_0_3_0)
89837 e_1_3_2 = zetb*( c1*e_0_3_1 &
89838 +c3*e_1_3_1&
89839 +4*e_2_3_1 &
89840 -2*e_1_3_0)
89841 e_2_3_2 = zetb*( c1*e_1_3_1 &
89842 +c3*e_2_3_1&
89843 +6*e_3_3_1 &
89844 -2*e_2_3_0)
89845 e_3_3_2 = zetb*( c1*e_2_3_1 &
89846 +c3*e_3_3_1&
89847 +8*e_4_3_1 &
89848 -2*e_3_3_0)
89849 e_4_3_2 = zetb*( c1*e_3_3_1 &
89850 +c3*e_4_3_1&
89851
89852 )
89853 e_5_3_2 = zetb*( c1*e_4_3_1 &
89854
89855
89856 )
89857 e_0_1_2 = zeta*( &
89858 +c2*e_0_0_2&
89859 +2*e_1_0_2 &
89860 )
89861 e_0_0_3 = zetb*( &
89862 +c3*e_0_0_2&
89863 +2*e_1_0_2 &
89864 -4*e_0_0_1)
89865 e_1_1_2 = zeta*( c1*e_0_0_2 &
89866 +c2*e_1_0_2&
89867 +4*e_2_0_2 &
89868 )
89869 e_1_0_3 = zetb*( c1*e_0_0_2 &
89870 +c3*e_1_0_2&
89871 +4*e_2_0_2 &
89872 -4*e_1_0_1)
89873 e_2_1_2 = zeta*( c1*e_1_0_2 &
89874 +c2*e_2_0_2&
89875
89876 )
89877 e_2_0_3 = zetb*( c1*e_1_0_2 &
89878 +c3*e_2_0_2&
89879
89880 )
89881 e_3_1_2 = zeta*( c1*e_2_0_2 &
89882
89883
89884 )
89885 e_3_0_3 = zetb*( c1*e_2_0_2 &
89886
89887
89888 )
89889 e_0_2_2 = zeta*( &
89890 +c2*e_0_1_2&
89891 +2*e_1_1_2 &
89892 -2*e_0_0_2)
89893 e_0_1_3 = zetb*( &
89894 +c3*e_0_1_2&
89895 +2*e_1_1_2 &
89896 -4*e_0_1_1)
89897 e_1_2_2 = zeta*( c1*e_0_1_2 &
89898 +c2*e_1_1_2&
89899 +4*e_2_1_2 &
89900 -2*e_1_0_2)
89901 e_1_1_3 = zetb*( c1*e_0_1_2 &
89902 +c3*e_1_1_2&
89903 +4*e_2_1_2 &
89904 -4*e_1_1_1)
89905 e_2_2_2 = zeta*( c1*e_1_1_2 &
89906 +c2*e_2_1_2&
89907 +6*e_3_1_2 &
89908 -2*e_2_0_2)
89909 e_2_1_3 = zetb*( c1*e_1_1_2 &
89910 +c3*e_2_1_2&
89911 +6*e_3_1_2 &
89912 -4*e_2_1_1)
89913 e_3_2_2 = zeta*( c1*e_2_1_2 &
89914 +c2*e_3_1_2&
89915
89916 )
89917 e_3_1_3 = zetb*( c1*e_2_1_2 &
89918 +c3*e_3_1_2&
89919
89920 )
89921 e_4_2_2 = zeta*( c1*e_3_1_2 &
89922
89923
89924 )
89925 e_4_1_3 = zetb*( c1*e_3_1_2 &
89926
89927
89928 )
89929 e_0_3_2 = zeta*( &
89930 +c2*e_0_2_2&
89931 +2*e_1_2_2 &
89932 -4*e_0_1_2)
89933 e_0_2_3 = zetb*( &
89934 +c3*e_0_2_2&
89935 +2*e_1_2_2 &
89936 -4*e_0_2_1)
89937 e_1_3_2 = zeta*( c1*e_0_2_2 &
89938 +c2*e_1_2_2&
89939 +4*e_2_2_2 &
89940 -4*e_1_1_2)
89941 e_1_2_3 = zetb*( c1*e_0_2_2 &
89942 +c3*e_1_2_2&
89943 +4*e_2_2_2 &
89944 -4*e_1_2_1)
89945 e_2_3_2 = zeta*( c1*e_1_2_2 &
89946 +c2*e_2_2_2&
89947 +6*e_3_2_2 &
89948 -4*e_2_1_2)
89949 e_2_2_3 = zetb*( c1*e_1_2_2 &
89950 +c3*e_2_2_2&
89951 +6*e_3_2_2 &
89952 -4*e_2_2_1)
89953 e_3_3_2 = zeta*( c1*e_2_2_2 &
89954 +c2*e_3_2_2&
89955 +8*e_4_2_2 &
89956 -4*e_3_1_2)
89957 e_3_2_3 = zetb*( c1*e_2_2_2 &
89958 +c3*e_3_2_2&
89959 +8*e_4_2_2 &
89960 -4*e_3_2_1)
89961 e_4_3_2 = zeta*( c1*e_3_2_2 &
89962 +c2*e_4_2_2&
89963
89964 )
89965 e_4_2_3 = zetb*( c1*e_3_2_2 &
89966 +c3*e_4_2_2&
89967
89968 )
89969 e_5_3_2 = zeta*( c1*e_4_2_2 &
89970
89971
89972 )
89973 e_5_2_3 = zetb*( c1*e_4_2_2 &
89974
89975
89976 )
89977 e_0_3_3 = zetb*( &
89978 +c3*e_0_3_2&
89979 +2*e_1_3_2 &
89980 -4*e_0_3_1)
89981 e_1_3_3 = zetb*( c1*e_0_3_2 &
89982 +c3*e_1_3_2&
89983 +4*e_2_3_2 &
89984 -4*e_1_3_1)
89985 e_2_3_3 = zetb*( c1*e_1_3_2 &
89986 +c3*e_2_3_2&
89987 +6*e_3_3_2 &
89988 -4*e_2_3_1)
89989 e_3_3_3 = zetb*( c1*e_2_3_2 &
89990 +c3*e_3_3_2&
89991 +8*e_4_3_2 &
89992 -4*e_3_3_1)
89993 e_4_3_3 = zetb*( c1*e_3_3_2 &
89994 +c3*e_4_3_2&
89995 +10*e_5_3_2 &
89996 -4*e_4_3_1)
89997 e_5_3_3 = zetb*( c1*e_4_3_2 &
89998 +c3*e_5_3_2&
89999
90000 )
90001 e_6_3_3 = zetb*( c1*e_5_3_2 &
90002
90003
90004 )
90005 e_0_1_3 = zeta*( &
90006 +c2*e_0_0_3&
90007 +2*e_1_0_3 &
90008 )
90009 e_1_1_3 = zeta*( c1*e_0_0_3 &
90010 +c2*e_1_0_3&
90011 +4*e_2_0_3 &
90012 )
90013 e_2_1_3 = zeta*( c1*e_1_0_3 &
90014 +c2*e_2_0_3&
90015 +6*e_3_0_3 &
90016 )
90017 e_3_1_3 = zeta*( c1*e_2_0_3 &
90018 +c2*e_3_0_3&
90019
90020 )
90021 e_4_1_3 = zeta*( c1*e_3_0_3 &
90022
90023
90024 )
90025 e_0_2_3 = zeta*( &
90026 +c2*e_0_1_3&
90027 +2*e_1_1_3 &
90028 -2*e_0_0_3)
90029 e_1_2_3 = zeta*( c1*e_0_1_3 &
90030 +c2*e_1_1_3&
90031 +4*e_2_1_3 &
90032 -2*e_1_0_3)
90033 e_2_2_3 = zeta*( c1*e_1_1_3 &
90034 +c2*e_2_1_3&
90035 +6*e_3_1_3 &
90036 -2*e_2_0_3)
90037 e_3_2_3 = zeta*( c1*e_2_1_3 &
90038 +c2*e_3_1_3&
90039 +8*e_4_1_3 &
90040 -2*e_3_0_3)
90041 e_4_2_3 = zeta*( c1*e_3_1_3 &
90042 +c2*e_4_1_3&
90043
90044 )
90045 e_5_2_3 = zeta*( c1*e_4_1_3 &
90046
90047
90048 )
90049 e_0_3_3 = zeta*( &
90050 +c2*e_0_2_3&
90051 +2*e_1_2_3 &
90052 -4*e_0_1_3)
90053 e_1_3_3 = zeta*( c1*e_0_2_3 &
90054 +c2*e_1_2_3&
90055 +4*e_2_2_3 &
90056 -4*e_1_1_3)
90057 e_2_3_3 = zeta*( c1*e_1_2_3 &
90058 +c2*e_2_2_3&
90059 +6*e_3_2_3 &
90060 -4*e_2_1_3)
90061 e_3_3_3 = zeta*( c1*e_2_2_3 &
90062 +c2*e_3_2_3&
90063 +8*e_4_2_3 &
90064 -4*e_3_1_3)
90065 e_4_3_3 = zeta*( c1*e_3_2_3 &
90066 +c2*e_4_2_3&
90067 +10*e_5_2_3 &
90068 -4*e_4_1_3)
90069 e_5_3_3 = zeta*( c1*e_4_2_3 &
90070 +c2*e_5_2_3&
90071
90072 )
90073 e_6_3_3 = zeta*( c1*e_5_2_3 &
90074
90075
90076 )
90077
90078 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
90079 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
90080 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
90081 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
90082 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
90083 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
90084 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
90085 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
90086 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
90087 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
90088 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
90089 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
90090 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
90091 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
90092 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
90093 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
90094 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
90095 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
90096 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
90097 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
90098 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
90099 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
90100 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
90101 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
90102 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
90103 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
90104 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
90105 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
90106 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
90107 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
90108 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
90109 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
90110 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
90111 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
90112 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
90113 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
90114 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
90115 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
90116 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
90117 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
90118 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
90119 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
90120 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
90121 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
90122 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
90123 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
90124 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
90125 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
90126 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
90127 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
90128 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
90129 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
90130 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
90131 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
90132 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
90133 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
90134 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
90135 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
90136 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
90137 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
90138 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
90139 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
90140 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
90141 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
90142 r1 = r1 + dr
90143 END DO
90144
90145 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
90146 END SUBROUTINE
90147 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_1_exp_1 ( &
90148 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
90149 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
90150 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
90151 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
90152 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
90153 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
90154 r_pow_t, r_tmp, rr1_delta, rr2_delta
90155
90156 REAL(kind=dp) :: c1, c2, c3
90157 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
90158 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
90159 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
90160 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
90161 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
90162 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
90163 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
90164 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
90165 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
90166 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
90167 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
90168
90169 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
90170
90171 dr = lgth
90172 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
90173
90174 s_r(:, :, :) = 0.0_dp
90175
90176 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
90177
90178 h_to_c_0_0 = sqrt(alpha/pi)
90179
90180 h_to_c_0_1 = 0.0_dp
90181 h_to_c_1_1 = +2*alpha*h_to_c_0_0
90182 h_to_c_0_2 = -1*h_to_c_1_1
90183 h_to_c_1_2 = +2*alpha*h_to_c_0_1
90184 h_to_c_2_2 = +2*alpha*h_to_c_1_1
90185 h_to_c_0_3 = -1*h_to_c_1_2
90186 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
90187 h_to_c_2_3 = +2*alpha*h_to_c_1_2
90188 h_to_c_3_3 = +2*alpha*h_to_c_2_2
90189 h_to_c_0_4 = -1*h_to_c_1_3
90190 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
90191 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
90192 h_to_c_3_4 = +2*alpha*h_to_c_2_3
90193 h_to_c_4_4 = +2*alpha*h_to_c_3_3
90194 h_to_c_0_5 = -1*h_to_c_1_4
90195 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
90196 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
90197 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
90198 h_to_c_4_5 = +2*alpha*h_to_c_3_4
90199 h_to_c_5_5 = +2*alpha*h_to_c_4_4
90200 h_to_c_0_6 = -1*h_to_c_1_5
90201 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
90202 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
90203 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
90204 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
90205 h_to_c_5_6 = +2*alpha*h_to_c_4_5
90206 h_to_c_6_6 = +2*alpha*h_to_c_5_5
90207 h_to_c_0_7 = -1*h_to_c_1_6
90208 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
90209 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
90210 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
90211 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
90212 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
90213 h_to_c_6_7 = +2*alpha*h_to_c_5_6
90214 h_to_c_7_7 = +2*alpha*h_to_c_6_6
90215
90216 exp_drsq = exp(-alpha*dr*dr)
90217 exp_2drsq = exp_drsq*exp_drsq
90218
90219 rr1_delta = (ra - rb)/dr
90220
90221 rr1_l = ceiling(-r_c(1) + rr1_delta)
90222 rr1_r = floor(r_c(1) + rr1_delta)
90223
90224 r1 = rr1_l*dr
90225
90226 alpha_e = zeta*zetb/(zeta + zetb)
90227
90228 DO rr1 = rr1_l, rr1_r
90229 s_r_t_0 = 0.0_dp
90230 s_r_t2_0 = 0.0_dp
90231 s_r_t_1 = 0.0_dp
90232 s_r_t2_1 = 0.0_dp
90233 s_r_t_2 = 0.0_dp
90234 s_r_t2_2 = 0.0_dp
90235 s_r_t_3 = 0.0_dp
90236 s_r_t2_3 = 0.0_dp
90237 s_r_t_4 = 0.0_dp
90238 s_r_t2_4 = 0.0_dp
90239 s_r_t_5 = 0.0_dp
90240 s_r_t2_5 = 0.0_dp
90241 s_r_t_6 = 0.0_dp
90242 s_r_t2_6 = 0.0_dp
90243 s_r_t_7 = 0.0_dp
90244 s_r_t2_7 = 0.0_dp
90245 r_tmp = r_offset + r1*zeta/(zeta + zetb)
90246 rr2_delta = -r_tmp/dr
90247
90248 rr2_l = ceiling(-r_c(2) + rr2_delta)
90249 rr2_r = floor(r_c(2) + rr2_delta)
90250
90251 r = r_tmp + (rr2_l)*dr
90252
90253 exp2_2rdr = exp(-2*alpha*r*dr)
90254 exp2_rsq = exp(-alpha*r*r)
90255
90256 DO rr2 = rr2_l, rr2_r
90257 r_pow_t = 1.0_dp
90258 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
90259 r_pow_t = r_pow_t*r
90260 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
90261 r_pow_t = r_pow_t*r
90262 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
90263 r_pow_t = r_pow_t*r
90264 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
90265 r_pow_t = r_pow_t*r
90266 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
90267 r_pow_t = r_pow_t*r
90268 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
90269 r_pow_t = r_pow_t*r
90270 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
90271 r_pow_t = r_pow_t*r
90272 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
90273
90274 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
90275 exp2_2rdr = exp2_2rdr*exp_2drsq
90276 r = r + dr
90277 END DO
90278
90279 ! C --> H
90280 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
90281 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
90282 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
90283 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
90284 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
90285 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
90286 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
90287 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
90288 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
90289 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
90290 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
90291 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
90292 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
90293 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
90294 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
90295 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
90296 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
90297 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
90298 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
90299 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
90300 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
90301 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
90302 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
90303 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
90304 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
90305 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
90306 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
90307 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
90308 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
90309 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
90310 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
90311 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
90312 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
90313 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
90314 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
90315 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
90316
90317 ! H --> HH
90318 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
90319
90320 c1 = 1.0_dp/(zeta + zetb)
90321 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
90322 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
90323
90324 e_0_1_0 = zeta*( &
90325 +c2*e_0_0_0&
90326
90327 )
90328 e_0_0_1 = zetb*( &
90329 +c3*e_0_0_0&
90330
90331 )
90332 e_1_1_0 = zeta*( c1*e_0_0_0 &
90333
90334
90335 )
90336 e_1_0_1 = zetb*( c1*e_0_0_0 &
90337
90338
90339 )
90340 e_0_2_0 = zeta*( &
90341 +c2*e_0_1_0&
90342 +2*e_1_1_0 &
90343 -2*e_0_0_0)
90344 e_0_1_1 = zetb*( &
90345 +c3*e_0_1_0&
90346 +2*e_1_1_0 &
90347 )
90348 e_1_2_0 = zeta*( c1*e_0_1_0 &
90349 +c2*e_1_1_0&
90350
90351 )
90352 e_1_1_1 = zetb*( c1*e_0_1_0 &
90353 +c3*e_1_1_0&
90354
90355 )
90356 e_2_2_0 = zeta*( c1*e_1_1_0 &
90357
90358
90359 )
90360 e_2_1_1 = zetb*( c1*e_1_1_0 &
90361
90362
90363 )
90364 e_0_3_0 = zeta*( &
90365 +c2*e_0_2_0&
90366 +2*e_1_2_0 &
90367 -4*e_0_1_0)
90368 e_0_2_1 = zetb*( &
90369 +c3*e_0_2_0&
90370 +2*e_1_2_0 &
90371 )
90372 e_1_3_0 = zeta*( c1*e_0_2_0 &
90373 +c2*e_1_2_0&
90374 +4*e_2_2_0 &
90375 -4*e_1_1_0)
90376 e_1_2_1 = zetb*( c1*e_0_2_0 &
90377 +c3*e_1_2_0&
90378 +4*e_2_2_0 &
90379 )
90380 e_2_3_0 = zeta*( c1*e_1_2_0 &
90381 +c2*e_2_2_0&
90382
90383 )
90384 e_2_2_1 = zetb*( c1*e_1_2_0 &
90385 +c3*e_2_2_0&
90386
90387 )
90388 e_3_3_0 = zeta*( c1*e_2_2_0 &
90389
90390
90391 )
90392 e_3_2_1 = zetb*( c1*e_2_2_0 &
90393
90394
90395 )
90396 e_0_3_1 = zetb*( &
90397 +c3*e_0_3_0&
90398 +2*e_1_3_0 &
90399 )
90400 e_1_3_1 = zetb*( c1*e_0_3_0 &
90401 +c3*e_1_3_0&
90402 +4*e_2_3_0 &
90403 )
90404 e_2_3_1 = zetb*( c1*e_1_3_0 &
90405 +c3*e_2_3_0&
90406 +6*e_3_3_0 &
90407 )
90408 e_3_3_1 = zetb*( c1*e_2_3_0 &
90409 +c3*e_3_3_0&
90410
90411 )
90412 e_4_3_1 = zetb*( c1*e_3_3_0 &
90413
90414
90415 )
90416 e_0_1_1 = zeta*( &
90417 +c2*e_0_0_1&
90418 +2*e_1_0_1 &
90419 )
90420 e_0_0_2 = zetb*( &
90421 +c3*e_0_0_1&
90422 +2*e_1_0_1 &
90423 -2*e_0_0_0)
90424 e_1_1_1 = zeta*( c1*e_0_0_1 &
90425 +c2*e_1_0_1&
90426
90427 )
90428 e_1_0_2 = zetb*( c1*e_0_0_1 &
90429 +c3*e_1_0_1&
90430
90431 )
90432 e_2_1_1 = zeta*( c1*e_1_0_1 &
90433
90434
90435 )
90436 e_2_0_2 = zetb*( c1*e_1_0_1 &
90437
90438
90439 )
90440 e_0_2_1 = zeta*( &
90441 +c2*e_0_1_1&
90442 +2*e_1_1_1 &
90443 -2*e_0_0_1)
90444 e_0_1_2 = zetb*( &
90445 +c3*e_0_1_1&
90446 +2*e_1_1_1 &
90447 -2*e_0_1_0)
90448 e_1_2_1 = zeta*( c1*e_0_1_1 &
90449 +c2*e_1_1_1&
90450 +4*e_2_1_1 &
90451 -2*e_1_0_1)
90452 e_1_1_2 = zetb*( c1*e_0_1_1 &
90453 +c3*e_1_1_1&
90454 +4*e_2_1_1 &
90455 -2*e_1_1_0)
90456 e_2_2_1 = zeta*( c1*e_1_1_1 &
90457 +c2*e_2_1_1&
90458
90459 )
90460 e_2_1_2 = zetb*( c1*e_1_1_1 &
90461 +c3*e_2_1_1&
90462
90463 )
90464 e_3_2_1 = zeta*( c1*e_2_1_1 &
90465
90466
90467 )
90468 e_3_1_2 = zetb*( c1*e_2_1_1 &
90469
90470
90471 )
90472 e_0_3_1 = zeta*( &
90473 +c2*e_0_2_1&
90474 +2*e_1_2_1 &
90475 -4*e_0_1_1)
90476 e_0_2_2 = zetb*( &
90477 +c3*e_0_2_1&
90478 +2*e_1_2_1 &
90479 -2*e_0_2_0)
90480 e_1_3_1 = zeta*( c1*e_0_2_1 &
90481 +c2*e_1_2_1&
90482 +4*e_2_2_1 &
90483 -4*e_1_1_1)
90484 e_1_2_2 = zetb*( c1*e_0_2_1 &
90485 +c3*e_1_2_1&
90486 +4*e_2_2_1 &
90487 -2*e_1_2_0)
90488 e_2_3_1 = zeta*( c1*e_1_2_1 &
90489 +c2*e_2_2_1&
90490 +6*e_3_2_1 &
90491 -4*e_2_1_1)
90492 e_2_2_2 = zetb*( c1*e_1_2_1 &
90493 +c3*e_2_2_1&
90494 +6*e_3_2_1 &
90495 -2*e_2_2_0)
90496 e_3_3_1 = zeta*( c1*e_2_2_1 &
90497 +c2*e_3_2_1&
90498
90499 )
90500 e_3_2_2 = zetb*( c1*e_2_2_1 &
90501 +c3*e_3_2_1&
90502
90503 )
90504 e_4_3_1 = zeta*( c1*e_3_2_1 &
90505
90506
90507 )
90508 e_4_2_2 = zetb*( c1*e_3_2_1 &
90509
90510
90511 )
90512 e_0_3_2 = zetb*( &
90513 +c3*e_0_3_1&
90514 +2*e_1_3_1 &
90515 -2*e_0_3_0)
90516 e_1_3_2 = zetb*( c1*e_0_3_1 &
90517 +c3*e_1_3_1&
90518 +4*e_2_3_1 &
90519 -2*e_1_3_0)
90520 e_2_3_2 = zetb*( c1*e_1_3_1 &
90521 +c3*e_2_3_1&
90522 +6*e_3_3_1 &
90523 -2*e_2_3_0)
90524 e_3_3_2 = zetb*( c1*e_2_3_1 &
90525 +c3*e_3_3_1&
90526 +8*e_4_3_1 &
90527 -2*e_3_3_0)
90528 e_4_3_2 = zetb*( c1*e_3_3_1 &
90529 +c3*e_4_3_1&
90530
90531 )
90532 e_5_3_2 = zetb*( c1*e_4_3_1 &
90533
90534
90535 )
90536 e_0_1_2 = zeta*( &
90537 +c2*e_0_0_2&
90538 +2*e_1_0_2 &
90539 )
90540 e_0_0_3 = zetb*( &
90541 +c3*e_0_0_2&
90542 +2*e_1_0_2 &
90543 -4*e_0_0_1)
90544 e_1_1_2 = zeta*( c1*e_0_0_2 &
90545 +c2*e_1_0_2&
90546 +4*e_2_0_2 &
90547 )
90548 e_1_0_3 = zetb*( c1*e_0_0_2 &
90549 +c3*e_1_0_2&
90550 +4*e_2_0_2 &
90551 -4*e_1_0_1)
90552 e_2_1_2 = zeta*( c1*e_1_0_2 &
90553 +c2*e_2_0_2&
90554
90555 )
90556 e_2_0_3 = zetb*( c1*e_1_0_2 &
90557 +c3*e_2_0_2&
90558
90559 )
90560 e_3_1_2 = zeta*( c1*e_2_0_2 &
90561
90562
90563 )
90564 e_3_0_3 = zetb*( c1*e_2_0_2 &
90565
90566
90567 )
90568 e_0_2_2 = zeta*( &
90569 +c2*e_0_1_2&
90570 +2*e_1_1_2 &
90571 -2*e_0_0_2)
90572 e_0_1_3 = zetb*( &
90573 +c3*e_0_1_2&
90574 +2*e_1_1_2 &
90575 -4*e_0_1_1)
90576 e_1_2_2 = zeta*( c1*e_0_1_2 &
90577 +c2*e_1_1_2&
90578 +4*e_2_1_2 &
90579 -2*e_1_0_2)
90580 e_1_1_3 = zetb*( c1*e_0_1_2 &
90581 +c3*e_1_1_2&
90582 +4*e_2_1_2 &
90583 -4*e_1_1_1)
90584 e_2_2_2 = zeta*( c1*e_1_1_2 &
90585 +c2*e_2_1_2&
90586 +6*e_3_1_2 &
90587 -2*e_2_0_2)
90588 e_2_1_3 = zetb*( c1*e_1_1_2 &
90589 +c3*e_2_1_2&
90590 +6*e_3_1_2 &
90591 -4*e_2_1_1)
90592 e_3_2_2 = zeta*( c1*e_2_1_2 &
90593 +c2*e_3_1_2&
90594
90595 )
90596 e_3_1_3 = zetb*( c1*e_2_1_2 &
90597 +c3*e_3_1_2&
90598
90599 )
90600 e_4_2_2 = zeta*( c1*e_3_1_2 &
90601
90602
90603 )
90604 e_4_1_3 = zetb*( c1*e_3_1_2 &
90605
90606
90607 )
90608 e_0_3_2 = zeta*( &
90609 +c2*e_0_2_2&
90610 +2*e_1_2_2 &
90611 -4*e_0_1_2)
90612 e_0_2_3 = zetb*( &
90613 +c3*e_0_2_2&
90614 +2*e_1_2_2 &
90615 -4*e_0_2_1)
90616 e_1_3_2 = zeta*( c1*e_0_2_2 &
90617 +c2*e_1_2_2&
90618 +4*e_2_2_2 &
90619 -4*e_1_1_2)
90620 e_1_2_3 = zetb*( c1*e_0_2_2 &
90621 +c3*e_1_2_2&
90622 +4*e_2_2_2 &
90623 -4*e_1_2_1)
90624 e_2_3_2 = zeta*( c1*e_1_2_2 &
90625 +c2*e_2_2_2&
90626 +6*e_3_2_2 &
90627 -4*e_2_1_2)
90628 e_2_2_3 = zetb*( c1*e_1_2_2 &
90629 +c3*e_2_2_2&
90630 +6*e_3_2_2 &
90631 -4*e_2_2_1)
90632 e_3_3_2 = zeta*( c1*e_2_2_2 &
90633 +c2*e_3_2_2&
90634 +8*e_4_2_2 &
90635 -4*e_3_1_2)
90636 e_3_2_3 = zetb*( c1*e_2_2_2 &
90637 +c3*e_3_2_2&
90638 +8*e_4_2_2 &
90639 -4*e_3_2_1)
90640 e_4_3_2 = zeta*( c1*e_3_2_2 &
90641 +c2*e_4_2_2&
90642
90643 )
90644 e_4_2_3 = zetb*( c1*e_3_2_2 &
90645 +c3*e_4_2_2&
90646
90647 )
90648 e_5_3_2 = zeta*( c1*e_4_2_2 &
90649
90650
90651 )
90652 e_5_2_3 = zetb*( c1*e_4_2_2 &
90653
90654
90655 )
90656 e_0_3_3 = zetb*( &
90657 +c3*e_0_3_2&
90658 +2*e_1_3_2 &
90659 -4*e_0_3_1)
90660 e_1_3_3 = zetb*( c1*e_0_3_2 &
90661 +c3*e_1_3_2&
90662 +4*e_2_3_2 &
90663 -4*e_1_3_1)
90664 e_2_3_3 = zetb*( c1*e_1_3_2 &
90665 +c3*e_2_3_2&
90666 +6*e_3_3_2 &
90667 -4*e_2_3_1)
90668 e_3_3_3 = zetb*( c1*e_2_3_2 &
90669 +c3*e_3_3_2&
90670 +8*e_4_3_2 &
90671 -4*e_3_3_1)
90672 e_4_3_3 = zetb*( c1*e_3_3_2 &
90673 +c3*e_4_3_2&
90674 +10*e_5_3_2 &
90675 -4*e_4_3_1)
90676 e_5_3_3 = zetb*( c1*e_4_3_2 &
90677 +c3*e_5_3_2&
90678
90679 )
90680 e_6_3_3 = zetb*( c1*e_5_3_2 &
90681
90682
90683 )
90684 e_0_1_3 = zeta*( &
90685 +c2*e_0_0_3&
90686 +2*e_1_0_3 &
90687 )
90688 e_1_1_3 = zeta*( c1*e_0_0_3 &
90689 +c2*e_1_0_3&
90690 +4*e_2_0_3 &
90691 )
90692 e_2_1_3 = zeta*( c1*e_1_0_3 &
90693 +c2*e_2_0_3&
90694 +6*e_3_0_3 &
90695 )
90696 e_3_1_3 = zeta*( c1*e_2_0_3 &
90697 +c2*e_3_0_3&
90698
90699 )
90700 e_4_1_3 = zeta*( c1*e_3_0_3 &
90701
90702
90703 )
90704 e_0_2_3 = zeta*( &
90705 +c2*e_0_1_3&
90706 +2*e_1_1_3 &
90707 -2*e_0_0_3)
90708 e_1_2_3 = zeta*( c1*e_0_1_3 &
90709 +c2*e_1_1_3&
90710 +4*e_2_1_3 &
90711 -2*e_1_0_3)
90712 e_2_2_3 = zeta*( c1*e_1_1_3 &
90713 +c2*e_2_1_3&
90714 +6*e_3_1_3 &
90715 -2*e_2_0_3)
90716 e_3_2_3 = zeta*( c1*e_2_1_3 &
90717 +c2*e_3_1_3&
90718 +8*e_4_1_3 &
90719 -2*e_3_0_3)
90720 e_4_2_3 = zeta*( c1*e_3_1_3 &
90721 +c2*e_4_1_3&
90722
90723 )
90724 e_5_2_3 = zeta*( c1*e_4_1_3 &
90725
90726
90727 )
90728 e_0_3_3 = zeta*( &
90729 +c2*e_0_2_3&
90730 +2*e_1_2_3 &
90731 -4*e_0_1_3)
90732 e_1_3_3 = zeta*( c1*e_0_2_3 &
90733 +c2*e_1_2_3&
90734 +4*e_2_2_3 &
90735 -4*e_1_1_3)
90736 e_2_3_3 = zeta*( c1*e_1_2_3 &
90737 +c2*e_2_2_3&
90738 +6*e_3_2_3 &
90739 -4*e_2_1_3)
90740 e_3_3_3 = zeta*( c1*e_2_2_3 &
90741 +c2*e_3_2_3&
90742 +8*e_4_2_3 &
90743 -4*e_3_1_3)
90744 e_4_3_3 = zeta*( c1*e_3_2_3 &
90745 +c2*e_4_2_3&
90746 +10*e_5_2_3 &
90747 -4*e_4_1_3)
90748 e_5_3_3 = zeta*( c1*e_4_2_3 &
90749 +c2*e_5_2_3&
90750
90751 )
90752 e_6_3_3 = zeta*( c1*e_5_2_3 &
90753
90754
90755 )
90756
90757 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
90758 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
90759 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
90760 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
90761 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
90762 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
90763 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
90764 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
90765 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
90766 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
90767 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
90768 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
90769 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
90770 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
90771 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
90772 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
90773 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
90774 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
90775 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
90776 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
90777 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
90778 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
90779 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
90780 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
90781 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
90782 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
90783 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
90784 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
90785 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
90786 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
90787 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
90788 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
90789 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
90790 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
90791 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
90792 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
90793 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
90794 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
90795 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
90796 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
90797 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
90798 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
90799 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
90800 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
90801 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
90802 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
90803 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
90804 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
90805 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
90806 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
90807 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
90808 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
90809 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
90810 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
90811 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
90812 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
90813 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
90814 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
90815 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
90816 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
90817 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
90818 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
90819 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
90820 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
90821 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
90822 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
90823 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
90824 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
90825 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
90826 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
90827 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
90828 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
90829 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
90830 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
90831 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
90832 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
90833 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
90834 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
90835 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
90836 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
90837 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
90838 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
90839 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
90840 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
90841 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
90842 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
90843 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
90844 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
90845 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
90846 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
90847 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
90848 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
90849 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
90850 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
90851 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
90852 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
90853 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
90854 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
90855 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
90856 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
90857 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
90858 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
90859 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
90860 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
90861 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
90862 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
90863 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
90864 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
90865 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
90866 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
90867 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
90868 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
90869 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
90870 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
90871 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
90872 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
90873 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
90874 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
90875 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
90876 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
90877 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
90878 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
90879 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
90880 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
90881 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
90882 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
90883 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
90884 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
90885 r1 = r1 + dr
90886 END DO
90887
90888 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
90889 END SUBROUTINE
90890 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_2_exp_1 ( &
90891 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
90892 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
90893 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
90894 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
90895 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
90896 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
90897 r_pow_t, r_tmp, rr1_delta, rr2_delta
90898
90899 REAL(kind=dp) :: c1, c2, c3
90900 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
90901 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
90902 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
90903 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
90904 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
90905 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
90906 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
90907 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
90908 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
90909 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
90910 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
90911 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
90912
90913 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
90914
90915 dr = lgth
90916 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
90917
90918 s_r(:, :, :) = 0.0_dp
90919
90920 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
90921
90922 h_to_c_0_0 = sqrt(alpha/pi)
90923
90924 h_to_c_0_1 = 0.0_dp
90925 h_to_c_1_1 = +2*alpha*h_to_c_0_0
90926 h_to_c_0_2 = -1*h_to_c_1_1
90927 h_to_c_1_2 = +2*alpha*h_to_c_0_1
90928 h_to_c_2_2 = +2*alpha*h_to_c_1_1
90929 h_to_c_0_3 = -1*h_to_c_1_2
90930 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
90931 h_to_c_2_3 = +2*alpha*h_to_c_1_2
90932 h_to_c_3_3 = +2*alpha*h_to_c_2_2
90933 h_to_c_0_4 = -1*h_to_c_1_3
90934 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
90935 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
90936 h_to_c_3_4 = +2*alpha*h_to_c_2_3
90937 h_to_c_4_4 = +2*alpha*h_to_c_3_3
90938 h_to_c_0_5 = -1*h_to_c_1_4
90939 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
90940 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
90941 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
90942 h_to_c_4_5 = +2*alpha*h_to_c_3_4
90943 h_to_c_5_5 = +2*alpha*h_to_c_4_4
90944 h_to_c_0_6 = -1*h_to_c_1_5
90945 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
90946 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
90947 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
90948 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
90949 h_to_c_5_6 = +2*alpha*h_to_c_4_5
90950 h_to_c_6_6 = +2*alpha*h_to_c_5_5
90951 h_to_c_0_7 = -1*h_to_c_1_6
90952 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
90953 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
90954 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
90955 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
90956 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
90957 h_to_c_6_7 = +2*alpha*h_to_c_5_6
90958 h_to_c_7_7 = +2*alpha*h_to_c_6_6
90959 h_to_c_0_8 = -1*h_to_c_1_7
90960 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
90961 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
90962 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
90963 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
90964 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
90965 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
90966 h_to_c_7_8 = +2*alpha*h_to_c_6_7
90967 h_to_c_8_8 = +2*alpha*h_to_c_7_7
90968
90969 exp_drsq = exp(-alpha*dr*dr)
90970 exp_2drsq = exp_drsq*exp_drsq
90971
90972 rr1_delta = (ra - rb)/dr
90973
90974 rr1_l = ceiling(-r_c(1) + rr1_delta)
90975 rr1_r = floor(r_c(1) + rr1_delta)
90976
90977 r1 = rr1_l*dr
90978
90979 alpha_e = zeta*zetb/(zeta + zetb)
90980
90981 DO rr1 = rr1_l, rr1_r
90982 s_r_t_0 = 0.0_dp
90983 s_r_t2_0 = 0.0_dp
90984 s_r_t_1 = 0.0_dp
90985 s_r_t2_1 = 0.0_dp
90986 s_r_t_2 = 0.0_dp
90987 s_r_t2_2 = 0.0_dp
90988 s_r_t_3 = 0.0_dp
90989 s_r_t2_3 = 0.0_dp
90990 s_r_t_4 = 0.0_dp
90991 s_r_t2_4 = 0.0_dp
90992 s_r_t_5 = 0.0_dp
90993 s_r_t2_5 = 0.0_dp
90994 s_r_t_6 = 0.0_dp
90995 s_r_t2_6 = 0.0_dp
90996 s_r_t_7 = 0.0_dp
90997 s_r_t2_7 = 0.0_dp
90998 s_r_t_8 = 0.0_dp
90999 s_r_t2_8 = 0.0_dp
91000 r_tmp = r_offset + r1*zeta/(zeta + zetb)
91001 rr2_delta = -r_tmp/dr
91002
91003 rr2_l = ceiling(-r_c(2) + rr2_delta)
91004 rr2_r = floor(r_c(2) + rr2_delta)
91005
91006 r = r_tmp + (rr2_l)*dr
91007
91008 exp2_2rdr = exp(-2*alpha*r*dr)
91009 exp2_rsq = exp(-alpha*r*r)
91010
91011 DO rr2 = rr2_l, rr2_r
91012 r_pow_t = 1.0_dp
91013 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
91014 r_pow_t = r_pow_t*r
91015 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
91016 r_pow_t = r_pow_t*r
91017 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
91018 r_pow_t = r_pow_t*r
91019 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
91020 r_pow_t = r_pow_t*r
91021 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
91022 r_pow_t = r_pow_t*r
91023 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
91024 r_pow_t = r_pow_t*r
91025 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
91026 r_pow_t = r_pow_t*r
91027 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
91028 r_pow_t = r_pow_t*r
91029 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
91030
91031 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
91032 exp2_2rdr = exp2_2rdr*exp_2drsq
91033 r = r + dr
91034 END DO
91035
91036 ! C --> H
91037 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
91038 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
91039 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
91040 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
91041 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
91042 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
91043 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
91044 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
91045 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
91046 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
91047 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
91048 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
91049 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
91050 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
91051 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
91052 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
91053 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
91054 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
91055 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
91056 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
91057 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
91058 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
91059 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
91060 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
91061 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
91062 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
91063 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
91064 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
91065 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
91066 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
91067 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
91068 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
91069 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
91070 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
91071 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
91072 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
91073 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
91074 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
91075 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
91076 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
91077 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
91078 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
91079 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
91080 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
91081 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
91082
91083 ! H --> HH
91084 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
91085
91086 c1 = 1.0_dp/(zeta + zetb)
91087 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
91088 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
91089
91090 e_0_1_0 = zeta*( &
91091 +c2*e_0_0_0&
91092
91093 )
91094 e_0_0_1 = zetb*( &
91095 +c3*e_0_0_0&
91096
91097 )
91098 e_1_1_0 = zeta*( c1*e_0_0_0 &
91099
91100
91101 )
91102 e_1_0_1 = zetb*( c1*e_0_0_0 &
91103
91104
91105 )
91106 e_0_2_0 = zeta*( &
91107 +c2*e_0_1_0&
91108 +2*e_1_1_0 &
91109 -2*e_0_0_0)
91110 e_0_1_1 = zetb*( &
91111 +c3*e_0_1_0&
91112 +2*e_1_1_0 &
91113 )
91114 e_1_2_0 = zeta*( c1*e_0_1_0 &
91115 +c2*e_1_1_0&
91116
91117 )
91118 e_1_1_1 = zetb*( c1*e_0_1_0 &
91119 +c3*e_1_1_0&
91120
91121 )
91122 e_2_2_0 = zeta*( c1*e_1_1_0 &
91123
91124
91125 )
91126 e_2_1_1 = zetb*( c1*e_1_1_0 &
91127
91128
91129 )
91130 e_0_3_0 = zeta*( &
91131 +c2*e_0_2_0&
91132 +2*e_1_2_0 &
91133 -4*e_0_1_0)
91134 e_0_2_1 = zetb*( &
91135 +c3*e_0_2_0&
91136 +2*e_1_2_0 &
91137 )
91138 e_1_3_0 = zeta*( c1*e_0_2_0 &
91139 +c2*e_1_2_0&
91140 +4*e_2_2_0 &
91141 -4*e_1_1_0)
91142 e_1_2_1 = zetb*( c1*e_0_2_0 &
91143 +c3*e_1_2_0&
91144 +4*e_2_2_0 &
91145 )
91146 e_2_3_0 = zeta*( c1*e_1_2_0 &
91147 +c2*e_2_2_0&
91148
91149 )
91150 e_2_2_1 = zetb*( c1*e_1_2_0 &
91151 +c3*e_2_2_0&
91152
91153 )
91154 e_3_3_0 = zeta*( c1*e_2_2_0 &
91155
91156
91157 )
91158 e_3_2_1 = zetb*( c1*e_2_2_0 &
91159
91160
91161 )
91162 e_0_3_1 = zetb*( &
91163 +c3*e_0_3_0&
91164 +2*e_1_3_0 &
91165 )
91166 e_1_3_1 = zetb*( c1*e_0_3_0 &
91167 +c3*e_1_3_0&
91168 +4*e_2_3_0 &
91169 )
91170 e_2_3_1 = zetb*( c1*e_1_3_0 &
91171 +c3*e_2_3_0&
91172 +6*e_3_3_0 &
91173 )
91174 e_3_3_1 = zetb*( c1*e_2_3_0 &
91175 +c3*e_3_3_0&
91176
91177 )
91178 e_4_3_1 = zetb*( c1*e_3_3_0 &
91179
91180
91181 )
91182 e_0_1_1 = zeta*( &
91183 +c2*e_0_0_1&
91184 +2*e_1_0_1 &
91185 )
91186 e_0_0_2 = zetb*( &
91187 +c3*e_0_0_1&
91188 +2*e_1_0_1 &
91189 -2*e_0_0_0)
91190 e_1_1_1 = zeta*( c1*e_0_0_1 &
91191 +c2*e_1_0_1&
91192
91193 )
91194 e_1_0_2 = zetb*( c1*e_0_0_1 &
91195 +c3*e_1_0_1&
91196
91197 )
91198 e_2_1_1 = zeta*( c1*e_1_0_1 &
91199
91200
91201 )
91202 e_2_0_2 = zetb*( c1*e_1_0_1 &
91203
91204
91205 )
91206 e_0_2_1 = zeta*( &
91207 +c2*e_0_1_1&
91208 +2*e_1_1_1 &
91209 -2*e_0_0_1)
91210 e_0_1_2 = zetb*( &
91211 +c3*e_0_1_1&
91212 +2*e_1_1_1 &
91213 -2*e_0_1_0)
91214 e_1_2_1 = zeta*( c1*e_0_1_1 &
91215 +c2*e_1_1_1&
91216 +4*e_2_1_1 &
91217 -2*e_1_0_1)
91218 e_1_1_2 = zetb*( c1*e_0_1_1 &
91219 +c3*e_1_1_1&
91220 +4*e_2_1_1 &
91221 -2*e_1_1_0)
91222 e_2_2_1 = zeta*( c1*e_1_1_1 &
91223 +c2*e_2_1_1&
91224
91225 )
91226 e_2_1_2 = zetb*( c1*e_1_1_1 &
91227 +c3*e_2_1_1&
91228
91229 )
91230 e_3_2_1 = zeta*( c1*e_2_1_1 &
91231
91232
91233 )
91234 e_3_1_2 = zetb*( c1*e_2_1_1 &
91235
91236
91237 )
91238 e_0_3_1 = zeta*( &
91239 +c2*e_0_2_1&
91240 +2*e_1_2_1 &
91241 -4*e_0_1_1)
91242 e_0_2_2 = zetb*( &
91243 +c3*e_0_2_1&
91244 +2*e_1_2_1 &
91245 -2*e_0_2_0)
91246 e_1_3_1 = zeta*( c1*e_0_2_1 &
91247 +c2*e_1_2_1&
91248 +4*e_2_2_1 &
91249 -4*e_1_1_1)
91250 e_1_2_2 = zetb*( c1*e_0_2_1 &
91251 +c3*e_1_2_1&
91252 +4*e_2_2_1 &
91253 -2*e_1_2_0)
91254 e_2_3_1 = zeta*( c1*e_1_2_1 &
91255 +c2*e_2_2_1&
91256 +6*e_3_2_1 &
91257 -4*e_2_1_1)
91258 e_2_2_2 = zetb*( c1*e_1_2_1 &
91259 +c3*e_2_2_1&
91260 +6*e_3_2_1 &
91261 -2*e_2_2_0)
91262 e_3_3_1 = zeta*( c1*e_2_2_1 &
91263 +c2*e_3_2_1&
91264
91265 )
91266 e_3_2_2 = zetb*( c1*e_2_2_1 &
91267 +c3*e_3_2_1&
91268
91269 )
91270 e_4_3_1 = zeta*( c1*e_3_2_1 &
91271
91272
91273 )
91274 e_4_2_2 = zetb*( c1*e_3_2_1 &
91275
91276
91277 )
91278 e_0_3_2 = zetb*( &
91279 +c3*e_0_3_1&
91280 +2*e_1_3_1 &
91281 -2*e_0_3_0)
91282 e_1_3_2 = zetb*( c1*e_0_3_1 &
91283 +c3*e_1_3_1&
91284 +4*e_2_3_1 &
91285 -2*e_1_3_0)
91286 e_2_3_2 = zetb*( c1*e_1_3_1 &
91287 +c3*e_2_3_1&
91288 +6*e_3_3_1 &
91289 -2*e_2_3_0)
91290 e_3_3_2 = zetb*( c1*e_2_3_1 &
91291 +c3*e_3_3_1&
91292 +8*e_4_3_1 &
91293 -2*e_3_3_0)
91294 e_4_3_2 = zetb*( c1*e_3_3_1 &
91295 +c3*e_4_3_1&
91296
91297 )
91298 e_5_3_2 = zetb*( c1*e_4_3_1 &
91299
91300
91301 )
91302 e_0_1_2 = zeta*( &
91303 +c2*e_0_0_2&
91304 +2*e_1_0_2 &
91305 )
91306 e_0_0_3 = zetb*( &
91307 +c3*e_0_0_2&
91308 +2*e_1_0_2 &
91309 -4*e_0_0_1)
91310 e_1_1_2 = zeta*( c1*e_0_0_2 &
91311 +c2*e_1_0_2&
91312 +4*e_2_0_2 &
91313 )
91314 e_1_0_3 = zetb*( c1*e_0_0_2 &
91315 +c3*e_1_0_2&
91316 +4*e_2_0_2 &
91317 -4*e_1_0_1)
91318 e_2_1_2 = zeta*( c1*e_1_0_2 &
91319 +c2*e_2_0_2&
91320
91321 )
91322 e_2_0_3 = zetb*( c1*e_1_0_2 &
91323 +c3*e_2_0_2&
91324
91325 )
91326 e_3_1_2 = zeta*( c1*e_2_0_2 &
91327
91328
91329 )
91330 e_3_0_3 = zetb*( c1*e_2_0_2 &
91331
91332
91333 )
91334 e_0_2_2 = zeta*( &
91335 +c2*e_0_1_2&
91336 +2*e_1_1_2 &
91337 -2*e_0_0_2)
91338 e_0_1_3 = zetb*( &
91339 +c3*e_0_1_2&
91340 +2*e_1_1_2 &
91341 -4*e_0_1_1)
91342 e_1_2_2 = zeta*( c1*e_0_1_2 &
91343 +c2*e_1_1_2&
91344 +4*e_2_1_2 &
91345 -2*e_1_0_2)
91346 e_1_1_3 = zetb*( c1*e_0_1_2 &
91347 +c3*e_1_1_2&
91348 +4*e_2_1_2 &
91349 -4*e_1_1_1)
91350 e_2_2_2 = zeta*( c1*e_1_1_2 &
91351 +c2*e_2_1_2&
91352 +6*e_3_1_2 &
91353 -2*e_2_0_2)
91354 e_2_1_3 = zetb*( c1*e_1_1_2 &
91355 +c3*e_2_1_2&
91356 +6*e_3_1_2 &
91357 -4*e_2_1_1)
91358 e_3_2_2 = zeta*( c1*e_2_1_2 &
91359 +c2*e_3_1_2&
91360
91361 )
91362 e_3_1_3 = zetb*( c1*e_2_1_2 &
91363 +c3*e_3_1_2&
91364
91365 )
91366 e_4_2_2 = zeta*( c1*e_3_1_2 &
91367
91368
91369 )
91370 e_4_1_3 = zetb*( c1*e_3_1_2 &
91371
91372
91373 )
91374 e_0_3_2 = zeta*( &
91375 +c2*e_0_2_2&
91376 +2*e_1_2_2 &
91377 -4*e_0_1_2)
91378 e_0_2_3 = zetb*( &
91379 +c3*e_0_2_2&
91380 +2*e_1_2_2 &
91381 -4*e_0_2_1)
91382 e_1_3_2 = zeta*( c1*e_0_2_2 &
91383 +c2*e_1_2_2&
91384 +4*e_2_2_2 &
91385 -4*e_1_1_2)
91386 e_1_2_3 = zetb*( c1*e_0_2_2 &
91387 +c3*e_1_2_2&
91388 +4*e_2_2_2 &
91389 -4*e_1_2_1)
91390 e_2_3_2 = zeta*( c1*e_1_2_2 &
91391 +c2*e_2_2_2&
91392 +6*e_3_2_2 &
91393 -4*e_2_1_2)
91394 e_2_2_3 = zetb*( c1*e_1_2_2 &
91395 +c3*e_2_2_2&
91396 +6*e_3_2_2 &
91397 -4*e_2_2_1)
91398 e_3_3_2 = zeta*( c1*e_2_2_2 &
91399 +c2*e_3_2_2&
91400 +8*e_4_2_2 &
91401 -4*e_3_1_2)
91402 e_3_2_3 = zetb*( c1*e_2_2_2 &
91403 +c3*e_3_2_2&
91404 +8*e_4_2_2 &
91405 -4*e_3_2_1)
91406 e_4_3_2 = zeta*( c1*e_3_2_2 &
91407 +c2*e_4_2_2&
91408
91409 )
91410 e_4_2_3 = zetb*( c1*e_3_2_2 &
91411 +c3*e_4_2_2&
91412
91413 )
91414 e_5_3_2 = zeta*( c1*e_4_2_2 &
91415
91416
91417 )
91418 e_5_2_3 = zetb*( c1*e_4_2_2 &
91419
91420
91421 )
91422 e_0_3_3 = zetb*( &
91423 +c3*e_0_3_2&
91424 +2*e_1_3_2 &
91425 -4*e_0_3_1)
91426 e_1_3_3 = zetb*( c1*e_0_3_2 &
91427 +c3*e_1_3_2&
91428 +4*e_2_3_2 &
91429 -4*e_1_3_1)
91430 e_2_3_3 = zetb*( c1*e_1_3_2 &
91431 +c3*e_2_3_2&
91432 +6*e_3_3_2 &
91433 -4*e_2_3_1)
91434 e_3_3_3 = zetb*( c1*e_2_3_2 &
91435 +c3*e_3_3_2&
91436 +8*e_4_3_2 &
91437 -4*e_3_3_1)
91438 e_4_3_3 = zetb*( c1*e_3_3_2 &
91439 +c3*e_4_3_2&
91440 +10*e_5_3_2 &
91441 -4*e_4_3_1)
91442 e_5_3_3 = zetb*( c1*e_4_3_2 &
91443 +c3*e_5_3_2&
91444
91445 )
91446 e_6_3_3 = zetb*( c1*e_5_3_2 &
91447
91448
91449 )
91450 e_0_1_3 = zeta*( &
91451 +c2*e_0_0_3&
91452 +2*e_1_0_3 &
91453 )
91454 e_1_1_3 = zeta*( c1*e_0_0_3 &
91455 +c2*e_1_0_3&
91456 +4*e_2_0_3 &
91457 )
91458 e_2_1_3 = zeta*( c1*e_1_0_3 &
91459 +c2*e_2_0_3&
91460 +6*e_3_0_3 &
91461 )
91462 e_3_1_3 = zeta*( c1*e_2_0_3 &
91463 +c2*e_3_0_3&
91464
91465 )
91466 e_4_1_3 = zeta*( c1*e_3_0_3 &
91467
91468
91469 )
91470 e_0_2_3 = zeta*( &
91471 +c2*e_0_1_3&
91472 +2*e_1_1_3 &
91473 -2*e_0_0_3)
91474 e_1_2_3 = zeta*( c1*e_0_1_3 &
91475 +c2*e_1_1_3&
91476 +4*e_2_1_3 &
91477 -2*e_1_0_3)
91478 e_2_2_3 = zeta*( c1*e_1_1_3 &
91479 +c2*e_2_1_3&
91480 +6*e_3_1_3 &
91481 -2*e_2_0_3)
91482 e_3_2_3 = zeta*( c1*e_2_1_3 &
91483 +c2*e_3_1_3&
91484 +8*e_4_1_3 &
91485 -2*e_3_0_3)
91486 e_4_2_3 = zeta*( c1*e_3_1_3 &
91487 +c2*e_4_1_3&
91488
91489 )
91490 e_5_2_3 = zeta*( c1*e_4_1_3 &
91491
91492
91493 )
91494 e_0_3_3 = zeta*( &
91495 +c2*e_0_2_3&
91496 +2*e_1_2_3 &
91497 -4*e_0_1_3)
91498 e_1_3_3 = zeta*( c1*e_0_2_3 &
91499 +c2*e_1_2_3&
91500 +4*e_2_2_3 &
91501 -4*e_1_1_3)
91502 e_2_3_3 = zeta*( c1*e_1_2_3 &
91503 +c2*e_2_2_3&
91504 +6*e_3_2_3 &
91505 -4*e_2_1_3)
91506 e_3_3_3 = zeta*( c1*e_2_2_3 &
91507 +c2*e_3_2_3&
91508 +8*e_4_2_3 &
91509 -4*e_3_1_3)
91510 e_4_3_3 = zeta*( c1*e_3_2_3 &
91511 +c2*e_4_2_3&
91512 +10*e_5_2_3 &
91513 -4*e_4_1_3)
91514 e_5_3_3 = zeta*( c1*e_4_2_3 &
91515 +c2*e_5_2_3&
91516
91517 )
91518 e_6_3_3 = zeta*( c1*e_5_2_3 &
91519
91520
91521 )
91522
91523 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
91524 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
91525 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
91526 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
91527 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
91528 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
91529 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
91530 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
91531 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
91532 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
91533 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
91534 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
91535 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
91536 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
91537 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
91538 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
91539 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
91540 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
91541 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
91542 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
91543 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
91544 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
91545 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
91546 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
91547 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
91548 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
91549 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
91550 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
91551 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
91552 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
91553 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
91554 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
91555 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
91556 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
91557 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
91558 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
91559 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
91560 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
91561 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
91562 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
91563 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
91564 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
91565 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
91566 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
91567 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
91568 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
91569 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
91570 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
91571 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
91572 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
91573 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
91574 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
91575 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
91576 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
91577 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
91578 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
91579 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
91580 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
91581 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
91582 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
91583 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
91584 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
91585 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
91586 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
91587 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
91588 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
91589 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
91590 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
91591 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
91592 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
91593 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
91594 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
91595 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
91596 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
91597 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
91598 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
91599 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
91600 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
91601 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
91602 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
91603 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
91604 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
91605 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
91606 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
91607 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
91608 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
91609 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
91610 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
91611 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
91612 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
91613 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
91614 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
91615 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
91616 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
91617 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
91618 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
91619 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
91620 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
91621 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
91622 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
91623 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
91624 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
91625 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
91626 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
91627 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
91628 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
91629 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
91630 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
91631 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
91632 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
91633 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
91634 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
91635 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
91636 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
91637 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
91638 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
91639 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
91640 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
91641 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
91642 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
91643 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
91644 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
91645 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
91646 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
91647 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
91648 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
91649 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
91650 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
91651 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
91652 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
91653 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
91654 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
91655 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
91656 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
91657 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
91658 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
91659 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
91660 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
91661 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
91662 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
91663 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
91664 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
91665 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
91666 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
91667 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
91668 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
91669 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
91670 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
91671 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
91672 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
91673 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
91674 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
91675 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
91676 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
91677 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
91678 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
91679 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
91680 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
91681 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
91682 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
91683 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
91684 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
91685 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
91686 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
91687 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
91688 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
91689 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
91690 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
91691 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
91692 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
91693 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
91694 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
91695 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
91696 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
91697 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
91698 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
91699 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
91700 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
91701 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
91702 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
91703 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
91704 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
91705 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
91706 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
91707 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
91708 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
91709 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
91710 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
91711 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
91712 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
91713 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
91714 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
91715 r1 = r1 + dr
91716 END DO
91717
91718 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
91719 END SUBROUTINE
91720 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_3_exp_1 ( &
91721 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
91722 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
91723 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
91724 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
91725 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
91726 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
91727 r_pow_t, r_tmp, rr1_delta, rr2_delta
91728
91729 REAL(kind=dp) :: c1, c2, c3
91730 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
91731 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
91732 & s_r_t2_9
91733 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
91734 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
91735 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
91736 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
91737 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
91738 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
91739 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
91740 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
91741 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
91742 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
91743 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
91744
91745 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
91746
91747 dr = lgth
91748 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
91749
91750 s_r(:, :, :) = 0.0_dp
91751
91752 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
91753
91754 h_to_c_0_0 = sqrt(alpha/pi)
91755
91756 h_to_c_0_1 = 0.0_dp
91757 h_to_c_1_1 = +2*alpha*h_to_c_0_0
91758 h_to_c_0_2 = -1*h_to_c_1_1
91759 h_to_c_1_2 = +2*alpha*h_to_c_0_1
91760 h_to_c_2_2 = +2*alpha*h_to_c_1_1
91761 h_to_c_0_3 = -1*h_to_c_1_2
91762 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
91763 h_to_c_2_3 = +2*alpha*h_to_c_1_2
91764 h_to_c_3_3 = +2*alpha*h_to_c_2_2
91765 h_to_c_0_4 = -1*h_to_c_1_3
91766 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
91767 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
91768 h_to_c_3_4 = +2*alpha*h_to_c_2_3
91769 h_to_c_4_4 = +2*alpha*h_to_c_3_3
91770 h_to_c_0_5 = -1*h_to_c_1_4
91771 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
91772 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
91773 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
91774 h_to_c_4_5 = +2*alpha*h_to_c_3_4
91775 h_to_c_5_5 = +2*alpha*h_to_c_4_4
91776 h_to_c_0_6 = -1*h_to_c_1_5
91777 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
91778 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
91779 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
91780 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
91781 h_to_c_5_6 = +2*alpha*h_to_c_4_5
91782 h_to_c_6_6 = +2*alpha*h_to_c_5_5
91783 h_to_c_0_7 = -1*h_to_c_1_6
91784 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
91785 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
91786 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
91787 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
91788 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
91789 h_to_c_6_7 = +2*alpha*h_to_c_5_6
91790 h_to_c_7_7 = +2*alpha*h_to_c_6_6
91791 h_to_c_0_8 = -1*h_to_c_1_7
91792 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
91793 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
91794 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
91795 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
91796 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
91797 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
91798 h_to_c_7_8 = +2*alpha*h_to_c_6_7
91799 h_to_c_8_8 = +2*alpha*h_to_c_7_7
91800 h_to_c_0_9 = -1*h_to_c_1_8
91801 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
91802 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
91803 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
91804 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
91805 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
91806 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
91807 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
91808 h_to_c_8_9 = +2*alpha*h_to_c_7_8
91809 h_to_c_9_9 = +2*alpha*h_to_c_8_8
91810
91811 exp_drsq = exp(-alpha*dr*dr)
91812 exp_2drsq = exp_drsq*exp_drsq
91813
91814 rr1_delta = (ra - rb)/dr
91815
91816 rr1_l = ceiling(-r_c(1) + rr1_delta)
91817 rr1_r = floor(r_c(1) + rr1_delta)
91818
91819 r1 = rr1_l*dr
91820
91821 alpha_e = zeta*zetb/(zeta + zetb)
91822
91823 DO rr1 = rr1_l, rr1_r
91824 s_r_t_0 = 0.0_dp
91825 s_r_t2_0 = 0.0_dp
91826 s_r_t_1 = 0.0_dp
91827 s_r_t2_1 = 0.0_dp
91828 s_r_t_2 = 0.0_dp
91829 s_r_t2_2 = 0.0_dp
91830 s_r_t_3 = 0.0_dp
91831 s_r_t2_3 = 0.0_dp
91832 s_r_t_4 = 0.0_dp
91833 s_r_t2_4 = 0.0_dp
91834 s_r_t_5 = 0.0_dp
91835 s_r_t2_5 = 0.0_dp
91836 s_r_t_6 = 0.0_dp
91837 s_r_t2_6 = 0.0_dp
91838 s_r_t_7 = 0.0_dp
91839 s_r_t2_7 = 0.0_dp
91840 s_r_t_8 = 0.0_dp
91841 s_r_t2_8 = 0.0_dp
91842 s_r_t_9 = 0.0_dp
91843 s_r_t2_9 = 0.0_dp
91844 r_tmp = r_offset + r1*zeta/(zeta + zetb)
91845 rr2_delta = -r_tmp/dr
91846
91847 rr2_l = ceiling(-r_c(2) + rr2_delta)
91848 rr2_r = floor(r_c(2) + rr2_delta)
91849
91850 r = r_tmp + (rr2_l)*dr
91851
91852 exp2_2rdr = exp(-2*alpha*r*dr)
91853 exp2_rsq = exp(-alpha*r*r)
91854
91855 DO rr2 = rr2_l, rr2_r
91856 r_pow_t = 1.0_dp
91857 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
91858 r_pow_t = r_pow_t*r
91859 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
91860 r_pow_t = r_pow_t*r
91861 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
91862 r_pow_t = r_pow_t*r
91863 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
91864 r_pow_t = r_pow_t*r
91865 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
91866 r_pow_t = r_pow_t*r
91867 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
91868 r_pow_t = r_pow_t*r
91869 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
91870 r_pow_t = r_pow_t*r
91871 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
91872 r_pow_t = r_pow_t*r
91873 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
91874 r_pow_t = r_pow_t*r
91875 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
91876
91877 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
91878 exp2_2rdr = exp2_2rdr*exp_2drsq
91879 r = r + dr
91880 END DO
91881
91882 ! C --> H
91883 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
91884 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
91885 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
91886 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
91887 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
91888 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
91889 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
91890 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
91891 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
91892 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
91893 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
91894 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
91895 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
91896 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
91897 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
91898 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
91899 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
91900 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
91901 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
91902 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
91903 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
91904 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
91905 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
91906 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
91907 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
91908 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
91909 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
91910 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
91911 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
91912 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
91913 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
91914 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
91915 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
91916 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
91917 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
91918 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
91919 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
91920 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
91921 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
91922 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
91923 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
91924 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
91925 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
91926 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
91927 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
91928 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
91929 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
91930 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
91931 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
91932 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
91933 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
91934 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
91935 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
91936 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
91937 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
91938
91939 ! H --> HH
91940 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
91941
91942 c1 = 1.0_dp/(zeta + zetb)
91943 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
91944 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
91945
91946 e_0_1_0 = zeta*( &
91947 +c2*e_0_0_0&
91948
91949 )
91950 e_0_0_1 = zetb*( &
91951 +c3*e_0_0_0&
91952
91953 )
91954 e_1_1_0 = zeta*( c1*e_0_0_0 &
91955
91956
91957 )
91958 e_1_0_1 = zetb*( c1*e_0_0_0 &
91959
91960
91961 )
91962 e_0_2_0 = zeta*( &
91963 +c2*e_0_1_0&
91964 +2*e_1_1_0 &
91965 -2*e_0_0_0)
91966 e_0_1_1 = zetb*( &
91967 +c3*e_0_1_0&
91968 +2*e_1_1_0 &
91969 )
91970 e_1_2_0 = zeta*( c1*e_0_1_0 &
91971 +c2*e_1_1_0&
91972
91973 )
91974 e_1_1_1 = zetb*( c1*e_0_1_0 &
91975 +c3*e_1_1_0&
91976
91977 )
91978 e_2_2_0 = zeta*( c1*e_1_1_0 &
91979
91980
91981 )
91982 e_2_1_1 = zetb*( c1*e_1_1_0 &
91983
91984
91985 )
91986 e_0_3_0 = zeta*( &
91987 +c2*e_0_2_0&
91988 +2*e_1_2_0 &
91989 -4*e_0_1_0)
91990 e_0_2_1 = zetb*( &
91991 +c3*e_0_2_0&
91992 +2*e_1_2_0 &
91993 )
91994 e_1_3_0 = zeta*( c1*e_0_2_0 &
91995 +c2*e_1_2_0&
91996 +4*e_2_2_0 &
91997 -4*e_1_1_0)
91998 e_1_2_1 = zetb*( c1*e_0_2_0 &
91999 +c3*e_1_2_0&
92000 +4*e_2_2_0 &
92001 )
92002 e_2_3_0 = zeta*( c1*e_1_2_0 &
92003 +c2*e_2_2_0&
92004
92005 )
92006 e_2_2_1 = zetb*( c1*e_1_2_0 &
92007 +c3*e_2_2_0&
92008
92009 )
92010 e_3_3_0 = zeta*( c1*e_2_2_0 &
92011
92012
92013 )
92014 e_3_2_1 = zetb*( c1*e_2_2_0 &
92015
92016
92017 )
92018 e_0_3_1 = zetb*( &
92019 +c3*e_0_3_0&
92020 +2*e_1_3_0 &
92021 )
92022 e_1_3_1 = zetb*( c1*e_0_3_0 &
92023 +c3*e_1_3_0&
92024 +4*e_2_3_0 &
92025 )
92026 e_2_3_1 = zetb*( c1*e_1_3_0 &
92027 +c3*e_2_3_0&
92028 +6*e_3_3_0 &
92029 )
92030 e_3_3_1 = zetb*( c1*e_2_3_0 &
92031 +c3*e_3_3_0&
92032
92033 )
92034 e_4_3_1 = zetb*( c1*e_3_3_0 &
92035
92036
92037 )
92038 e_0_1_1 = zeta*( &
92039 +c2*e_0_0_1&
92040 +2*e_1_0_1 &
92041 )
92042 e_0_0_2 = zetb*( &
92043 +c3*e_0_0_1&
92044 +2*e_1_0_1 &
92045 -2*e_0_0_0)
92046 e_1_1_1 = zeta*( c1*e_0_0_1 &
92047 +c2*e_1_0_1&
92048
92049 )
92050 e_1_0_2 = zetb*( c1*e_0_0_1 &
92051 +c3*e_1_0_1&
92052
92053 )
92054 e_2_1_1 = zeta*( c1*e_1_0_1 &
92055
92056
92057 )
92058 e_2_0_2 = zetb*( c1*e_1_0_1 &
92059
92060
92061 )
92062 e_0_2_1 = zeta*( &
92063 +c2*e_0_1_1&
92064 +2*e_1_1_1 &
92065 -2*e_0_0_1)
92066 e_0_1_2 = zetb*( &
92067 +c3*e_0_1_1&
92068 +2*e_1_1_1 &
92069 -2*e_0_1_0)
92070 e_1_2_1 = zeta*( c1*e_0_1_1 &
92071 +c2*e_1_1_1&
92072 +4*e_2_1_1 &
92073 -2*e_1_0_1)
92074 e_1_1_2 = zetb*( c1*e_0_1_1 &
92075 +c3*e_1_1_1&
92076 +4*e_2_1_1 &
92077 -2*e_1_1_0)
92078 e_2_2_1 = zeta*( c1*e_1_1_1 &
92079 +c2*e_2_1_1&
92080
92081 )
92082 e_2_1_2 = zetb*( c1*e_1_1_1 &
92083 +c3*e_2_1_1&
92084
92085 )
92086 e_3_2_1 = zeta*( c1*e_2_1_1 &
92087
92088
92089 )
92090 e_3_1_2 = zetb*( c1*e_2_1_1 &
92091
92092
92093 )
92094 e_0_3_1 = zeta*( &
92095 +c2*e_0_2_1&
92096 +2*e_1_2_1 &
92097 -4*e_0_1_1)
92098 e_0_2_2 = zetb*( &
92099 +c3*e_0_2_1&
92100 +2*e_1_2_1 &
92101 -2*e_0_2_0)
92102 e_1_3_1 = zeta*( c1*e_0_2_1 &
92103 +c2*e_1_2_1&
92104 +4*e_2_2_1 &
92105 -4*e_1_1_1)
92106 e_1_2_2 = zetb*( c1*e_0_2_1 &
92107 +c3*e_1_2_1&
92108 +4*e_2_2_1 &
92109 -2*e_1_2_0)
92110 e_2_3_1 = zeta*( c1*e_1_2_1 &
92111 +c2*e_2_2_1&
92112 +6*e_3_2_1 &
92113 -4*e_2_1_1)
92114 e_2_2_2 = zetb*( c1*e_1_2_1 &
92115 +c3*e_2_2_1&
92116 +6*e_3_2_1 &
92117 -2*e_2_2_0)
92118 e_3_3_1 = zeta*( c1*e_2_2_1 &
92119 +c2*e_3_2_1&
92120
92121 )
92122 e_3_2_2 = zetb*( c1*e_2_2_1 &
92123 +c3*e_3_2_1&
92124
92125 )
92126 e_4_3_1 = zeta*( c1*e_3_2_1 &
92127
92128
92129 )
92130 e_4_2_2 = zetb*( c1*e_3_2_1 &
92131
92132
92133 )
92134 e_0_3_2 = zetb*( &
92135 +c3*e_0_3_1&
92136 +2*e_1_3_1 &
92137 -2*e_0_3_0)
92138 e_1_3_2 = zetb*( c1*e_0_3_1 &
92139 +c3*e_1_3_1&
92140 +4*e_2_3_1 &
92141 -2*e_1_3_0)
92142 e_2_3_2 = zetb*( c1*e_1_3_1 &
92143 +c3*e_2_3_1&
92144 +6*e_3_3_1 &
92145 -2*e_2_3_0)
92146 e_3_3_2 = zetb*( c1*e_2_3_1 &
92147 +c3*e_3_3_1&
92148 +8*e_4_3_1 &
92149 -2*e_3_3_0)
92150 e_4_3_2 = zetb*( c1*e_3_3_1 &
92151 +c3*e_4_3_1&
92152
92153 )
92154 e_5_3_2 = zetb*( c1*e_4_3_1 &
92155
92156
92157 )
92158 e_0_1_2 = zeta*( &
92159 +c2*e_0_0_2&
92160 +2*e_1_0_2 &
92161 )
92162 e_0_0_3 = zetb*( &
92163 +c3*e_0_0_2&
92164 +2*e_1_0_2 &
92165 -4*e_0_0_1)
92166 e_1_1_2 = zeta*( c1*e_0_0_2 &
92167 +c2*e_1_0_2&
92168 +4*e_2_0_2 &
92169 )
92170 e_1_0_3 = zetb*( c1*e_0_0_2 &
92171 +c3*e_1_0_2&
92172 +4*e_2_0_2 &
92173 -4*e_1_0_1)
92174 e_2_1_2 = zeta*( c1*e_1_0_2 &
92175 +c2*e_2_0_2&
92176
92177 )
92178 e_2_0_3 = zetb*( c1*e_1_0_2 &
92179 +c3*e_2_0_2&
92180
92181 )
92182 e_3_1_2 = zeta*( c1*e_2_0_2 &
92183
92184
92185 )
92186 e_3_0_3 = zetb*( c1*e_2_0_2 &
92187
92188
92189 )
92190 e_0_2_2 = zeta*( &
92191 +c2*e_0_1_2&
92192 +2*e_1_1_2 &
92193 -2*e_0_0_2)
92194 e_0_1_3 = zetb*( &
92195 +c3*e_0_1_2&
92196 +2*e_1_1_2 &
92197 -4*e_0_1_1)
92198 e_1_2_2 = zeta*( c1*e_0_1_2 &
92199 +c2*e_1_1_2&
92200 +4*e_2_1_2 &
92201 -2*e_1_0_2)
92202 e_1_1_3 = zetb*( c1*e_0_1_2 &
92203 +c3*e_1_1_2&
92204 +4*e_2_1_2 &
92205 -4*e_1_1_1)
92206 e_2_2_2 = zeta*( c1*e_1_1_2 &
92207 +c2*e_2_1_2&
92208 +6*e_3_1_2 &
92209 -2*e_2_0_2)
92210 e_2_1_3 = zetb*( c1*e_1_1_2 &
92211 +c3*e_2_1_2&
92212 +6*e_3_1_2 &
92213 -4*e_2_1_1)
92214 e_3_2_2 = zeta*( c1*e_2_1_2 &
92215 +c2*e_3_1_2&
92216
92217 )
92218 e_3_1_3 = zetb*( c1*e_2_1_2 &
92219 +c3*e_3_1_2&
92220
92221 )
92222 e_4_2_2 = zeta*( c1*e_3_1_2 &
92223
92224
92225 )
92226 e_4_1_3 = zetb*( c1*e_3_1_2 &
92227
92228
92229 )
92230 e_0_3_2 = zeta*( &
92231 +c2*e_0_2_2&
92232 +2*e_1_2_2 &
92233 -4*e_0_1_2)
92234 e_0_2_3 = zetb*( &
92235 +c3*e_0_2_2&
92236 +2*e_1_2_2 &
92237 -4*e_0_2_1)
92238 e_1_3_2 = zeta*( c1*e_0_2_2 &
92239 +c2*e_1_2_2&
92240 +4*e_2_2_2 &
92241 -4*e_1_1_2)
92242 e_1_2_3 = zetb*( c1*e_0_2_2 &
92243 +c3*e_1_2_2&
92244 +4*e_2_2_2 &
92245 -4*e_1_2_1)
92246 e_2_3_2 = zeta*( c1*e_1_2_2 &
92247 +c2*e_2_2_2&
92248 +6*e_3_2_2 &
92249 -4*e_2_1_2)
92250 e_2_2_3 = zetb*( c1*e_1_2_2 &
92251 +c3*e_2_2_2&
92252 +6*e_3_2_2 &
92253 -4*e_2_2_1)
92254 e_3_3_2 = zeta*( c1*e_2_2_2 &
92255 +c2*e_3_2_2&
92256 +8*e_4_2_2 &
92257 -4*e_3_1_2)
92258 e_3_2_3 = zetb*( c1*e_2_2_2 &
92259 +c3*e_3_2_2&
92260 +8*e_4_2_2 &
92261 -4*e_3_2_1)
92262 e_4_3_2 = zeta*( c1*e_3_2_2 &
92263 +c2*e_4_2_2&
92264
92265 )
92266 e_4_2_3 = zetb*( c1*e_3_2_2 &
92267 +c3*e_4_2_2&
92268
92269 )
92270 e_5_3_2 = zeta*( c1*e_4_2_2 &
92271
92272
92273 )
92274 e_5_2_3 = zetb*( c1*e_4_2_2 &
92275
92276
92277 )
92278 e_0_3_3 = zetb*( &
92279 +c3*e_0_3_2&
92280 +2*e_1_3_2 &
92281 -4*e_0_3_1)
92282 e_1_3_3 = zetb*( c1*e_0_3_2 &
92283 +c3*e_1_3_2&
92284 +4*e_2_3_2 &
92285 -4*e_1_3_1)
92286 e_2_3_3 = zetb*( c1*e_1_3_2 &
92287 +c3*e_2_3_2&
92288 +6*e_3_3_2 &
92289 -4*e_2_3_1)
92290 e_3_3_3 = zetb*( c1*e_2_3_2 &
92291 +c3*e_3_3_2&
92292 +8*e_4_3_2 &
92293 -4*e_3_3_1)
92294 e_4_3_3 = zetb*( c1*e_3_3_2 &
92295 +c3*e_4_3_2&
92296 +10*e_5_3_2 &
92297 -4*e_4_3_1)
92298 e_5_3_3 = zetb*( c1*e_4_3_2 &
92299 +c3*e_5_3_2&
92300
92301 )
92302 e_6_3_3 = zetb*( c1*e_5_3_2 &
92303
92304
92305 )
92306 e_0_1_3 = zeta*( &
92307 +c2*e_0_0_3&
92308 +2*e_1_0_3 &
92309 )
92310 e_1_1_3 = zeta*( c1*e_0_0_3 &
92311 +c2*e_1_0_3&
92312 +4*e_2_0_3 &
92313 )
92314 e_2_1_3 = zeta*( c1*e_1_0_3 &
92315 +c2*e_2_0_3&
92316 +6*e_3_0_3 &
92317 )
92318 e_3_1_3 = zeta*( c1*e_2_0_3 &
92319 +c2*e_3_0_3&
92320
92321 )
92322 e_4_1_3 = zeta*( c1*e_3_0_3 &
92323
92324
92325 )
92326 e_0_2_3 = zeta*( &
92327 +c2*e_0_1_3&
92328 +2*e_1_1_3 &
92329 -2*e_0_0_3)
92330 e_1_2_3 = zeta*( c1*e_0_1_3 &
92331 +c2*e_1_1_3&
92332 +4*e_2_1_3 &
92333 -2*e_1_0_3)
92334 e_2_2_3 = zeta*( c1*e_1_1_3 &
92335 +c2*e_2_1_3&
92336 +6*e_3_1_3 &
92337 -2*e_2_0_3)
92338 e_3_2_3 = zeta*( c1*e_2_1_3 &
92339 +c2*e_3_1_3&
92340 +8*e_4_1_3 &
92341 -2*e_3_0_3)
92342 e_4_2_3 = zeta*( c1*e_3_1_3 &
92343 +c2*e_4_1_3&
92344
92345 )
92346 e_5_2_3 = zeta*( c1*e_4_1_3 &
92347
92348
92349 )
92350 e_0_3_3 = zeta*( &
92351 +c2*e_0_2_3&
92352 +2*e_1_2_3 &
92353 -4*e_0_1_3)
92354 e_1_3_3 = zeta*( c1*e_0_2_3 &
92355 +c2*e_1_2_3&
92356 +4*e_2_2_3 &
92357 -4*e_1_1_3)
92358 e_2_3_3 = zeta*( c1*e_1_2_3 &
92359 +c2*e_2_2_3&
92360 +6*e_3_2_3 &
92361 -4*e_2_1_3)
92362 e_3_3_3 = zeta*( c1*e_2_2_3 &
92363 +c2*e_3_2_3&
92364 +8*e_4_2_3 &
92365 -4*e_3_1_3)
92366 e_4_3_3 = zeta*( c1*e_3_2_3 &
92367 +c2*e_4_2_3&
92368 +10*e_5_2_3 &
92369 -4*e_4_1_3)
92370 e_5_3_3 = zeta*( c1*e_4_2_3 &
92371 +c2*e_5_2_3&
92372
92373 )
92374 e_6_3_3 = zeta*( c1*e_5_2_3 &
92375
92376
92377 )
92378
92379 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
92380 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
92381 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
92382 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
92383 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
92384 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
92385 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
92386 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
92387 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
92388 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
92389 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
92390 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
92391 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
92392 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
92393 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
92394 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
92395 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
92396 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
92397 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
92398 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
92399 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
92400 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
92401 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
92402 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
92403 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
92404 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
92405 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
92406 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
92407 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
92408 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
92409 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
92410 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
92411 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
92412 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
92413 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
92414 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
92415 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
92416 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
92417 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
92418 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
92419 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
92420 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
92421 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
92422 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
92423 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
92424 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
92425 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
92426 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
92427 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
92428 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
92429 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
92430 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
92431 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
92432 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
92433 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
92434 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
92435 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
92436 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
92437 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
92438 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
92439 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
92440 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
92441 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
92442 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
92443 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
92444 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
92445 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
92446 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
92447 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
92448 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
92449 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
92450 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
92451 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
92452 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
92453 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
92454 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
92455 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
92456 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
92457 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
92458 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
92459 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
92460 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
92461 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
92462 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
92463 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
92464 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
92465 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
92466 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
92467 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
92468 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
92469 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
92470 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
92471 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
92472 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
92473 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
92474 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
92475 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
92476 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
92477 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
92478 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
92479 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
92480 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
92481 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
92482 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
92483 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
92484 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
92485 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
92486 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
92487 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
92488 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
92489 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
92490 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
92491 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
92492 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
92493 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
92494 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
92495 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
92496 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
92497 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
92498 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
92499 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
92500 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
92501 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
92502 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
92503 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
92504 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
92505 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
92506 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
92507 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
92508 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
92509 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
92510 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
92511 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
92512 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
92513 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
92514 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
92515 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
92516 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
92517 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
92518 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
92519 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
92520 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
92521 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
92522 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
92523 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
92524 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
92525 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
92526 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
92527 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
92528 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
92529 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
92530 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
92531 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
92532 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
92533 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
92534 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
92535 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
92536 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
92537 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
92538 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
92539 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
92540 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
92541 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
92542 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
92543 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
92544 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
92545 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
92546 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
92547 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
92548 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
92549 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
92550 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
92551 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
92552 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
92553 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
92554 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
92555 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
92556 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
92557 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
92558 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
92559 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
92560 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
92561 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
92562 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
92563 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
92564 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
92565 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
92566 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
92567 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
92568 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
92569 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
92570 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
92571 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
92572 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
92573 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
92574 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
92575 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
92576 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
92577 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
92578 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
92579 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
92580 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
92581 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
92582 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
92583 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
92584 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
92585 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
92586 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
92587 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
92588 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
92589 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
92590 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
92591 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
92592 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
92593 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
92594 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
92595 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
92596 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
92597 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
92598 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
92599 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
92600 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
92601 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
92602 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
92603 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
92604 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
92605 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
92606 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
92607 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
92608 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
92609 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
92610 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
92611 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
92612 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
92613 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
92614 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
92615 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
92616 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
92617 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
92618 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
92619 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
92620 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
92621 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
92622 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
92623 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
92624 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
92625 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
92626 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
92627 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
92628 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
92629 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
92630 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
92631 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
92632 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
92633 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
92634 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
92635 r1 = r1 + dr
92636 END DO
92637
92638 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
92639 END SUBROUTINE
92640 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_4_exp_1 ( &
92641 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
92642 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
92643 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
92644 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
92645 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
92646 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
92647 r_pow_t, r_tmp, rr1_delta, rr2_delta
92648
92649 REAL(kind=dp) :: c1, c2, c3
92650 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
92651 & s_r_t_10
92652 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
92653 & s_r_t2_9, s_r_t2_10
92654 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
92655 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
92656 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
92657 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
92658 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
92659 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
92660 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
92661 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
92662 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
92663 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
92664 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
92665 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
92666
92667 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
92668
92669 dr = lgth
92670 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
92671
92672 s_r(:, :, :) = 0.0_dp
92673
92674 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
92675
92676 h_to_c_0_0 = sqrt(alpha/pi)
92677
92678 h_to_c_0_1 = 0.0_dp
92679 h_to_c_1_1 = +2*alpha*h_to_c_0_0
92680 h_to_c_0_2 = -1*h_to_c_1_1
92681 h_to_c_1_2 = +2*alpha*h_to_c_0_1
92682 h_to_c_2_2 = +2*alpha*h_to_c_1_1
92683 h_to_c_0_3 = -1*h_to_c_1_2
92684 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
92685 h_to_c_2_3 = +2*alpha*h_to_c_1_2
92686 h_to_c_3_3 = +2*alpha*h_to_c_2_2
92687 h_to_c_0_4 = -1*h_to_c_1_3
92688 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
92689 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
92690 h_to_c_3_4 = +2*alpha*h_to_c_2_3
92691 h_to_c_4_4 = +2*alpha*h_to_c_3_3
92692 h_to_c_0_5 = -1*h_to_c_1_4
92693 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
92694 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
92695 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
92696 h_to_c_4_5 = +2*alpha*h_to_c_3_4
92697 h_to_c_5_5 = +2*alpha*h_to_c_4_4
92698 h_to_c_0_6 = -1*h_to_c_1_5
92699 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
92700 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
92701 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
92702 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
92703 h_to_c_5_6 = +2*alpha*h_to_c_4_5
92704 h_to_c_6_6 = +2*alpha*h_to_c_5_5
92705 h_to_c_0_7 = -1*h_to_c_1_6
92706 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
92707 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
92708 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
92709 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
92710 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
92711 h_to_c_6_7 = +2*alpha*h_to_c_5_6
92712 h_to_c_7_7 = +2*alpha*h_to_c_6_6
92713 h_to_c_0_8 = -1*h_to_c_1_7
92714 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
92715 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
92716 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
92717 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
92718 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
92719 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
92720 h_to_c_7_8 = +2*alpha*h_to_c_6_7
92721 h_to_c_8_8 = +2*alpha*h_to_c_7_7
92722 h_to_c_0_9 = -1*h_to_c_1_8
92723 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
92724 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
92725 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
92726 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
92727 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
92728 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
92729 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
92730 h_to_c_8_9 = +2*alpha*h_to_c_7_8
92731 h_to_c_9_9 = +2*alpha*h_to_c_8_8
92732 h_to_c_0_10 = -1*h_to_c_1_9
92733 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
92734 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
92735 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
92736 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
92737 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
92738 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
92739 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
92740 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
92741 h_to_c_9_10 = +2*alpha*h_to_c_8_9
92742 h_to_c_10_10 = +2*alpha*h_to_c_9_9
92743
92744 exp_drsq = exp(-alpha*dr*dr)
92745 exp_2drsq = exp_drsq*exp_drsq
92746
92747 rr1_delta = (ra - rb)/dr
92748
92749 rr1_l = ceiling(-r_c(1) + rr1_delta)
92750 rr1_r = floor(r_c(1) + rr1_delta)
92751
92752 r1 = rr1_l*dr
92753
92754 alpha_e = zeta*zetb/(zeta + zetb)
92755
92756 DO rr1 = rr1_l, rr1_r
92757 s_r_t_0 = 0.0_dp
92758 s_r_t2_0 = 0.0_dp
92759 s_r_t_1 = 0.0_dp
92760 s_r_t2_1 = 0.0_dp
92761 s_r_t_2 = 0.0_dp
92762 s_r_t2_2 = 0.0_dp
92763 s_r_t_3 = 0.0_dp
92764 s_r_t2_3 = 0.0_dp
92765 s_r_t_4 = 0.0_dp
92766 s_r_t2_4 = 0.0_dp
92767 s_r_t_5 = 0.0_dp
92768 s_r_t2_5 = 0.0_dp
92769 s_r_t_6 = 0.0_dp
92770 s_r_t2_6 = 0.0_dp
92771 s_r_t_7 = 0.0_dp
92772 s_r_t2_7 = 0.0_dp
92773 s_r_t_8 = 0.0_dp
92774 s_r_t2_8 = 0.0_dp
92775 s_r_t_9 = 0.0_dp
92776 s_r_t2_9 = 0.0_dp
92777 s_r_t_10 = 0.0_dp
92778 s_r_t2_10 = 0.0_dp
92779 r_tmp = r_offset + r1*zeta/(zeta + zetb)
92780 rr2_delta = -r_tmp/dr
92781
92782 rr2_l = ceiling(-r_c(2) + rr2_delta)
92783 rr2_r = floor(r_c(2) + rr2_delta)
92784
92785 r = r_tmp + (rr2_l)*dr
92786
92787 exp2_2rdr = exp(-2*alpha*r*dr)
92788 exp2_rsq = exp(-alpha*r*r)
92789
92790 DO rr2 = rr2_l, rr2_r
92791 r_pow_t = 1.0_dp
92792 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
92793 r_pow_t = r_pow_t*r
92794 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
92795 r_pow_t = r_pow_t*r
92796 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
92797 r_pow_t = r_pow_t*r
92798 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
92799 r_pow_t = r_pow_t*r
92800 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
92801 r_pow_t = r_pow_t*r
92802 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
92803 r_pow_t = r_pow_t*r
92804 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
92805 r_pow_t = r_pow_t*r
92806 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
92807 r_pow_t = r_pow_t*r
92808 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
92809 r_pow_t = r_pow_t*r
92810 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
92811 r_pow_t = r_pow_t*r
92812 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
92813
92814 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
92815 exp2_2rdr = exp2_2rdr*exp_2drsq
92816 r = r + dr
92817 END DO
92818
92819 ! C --> H
92820 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
92821 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
92822 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
92823 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
92824 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
92825 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
92826 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
92827 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
92828 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
92829 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
92830 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
92831 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
92832 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
92833 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
92834 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
92835 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
92836 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
92837 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
92838 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
92839 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
92840 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
92841 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
92842 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
92843 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
92844 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
92845 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
92846 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
92847 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
92848 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
92849 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
92850 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
92851 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
92852 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
92853 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
92854 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
92855 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
92856 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
92857 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
92858 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
92859 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
92860 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
92861 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
92862 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
92863 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
92864 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
92865 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
92866 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
92867 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
92868 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
92869 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
92870 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
92871 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
92872 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
92873 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
92874 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
92875 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
92876 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
92877 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
92878 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
92879 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
92880 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
92881 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
92882 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
92883 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
92884 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
92885 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
92886
92887 ! H --> HH
92888 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
92889
92890 c1 = 1.0_dp/(zeta + zetb)
92891 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
92892 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
92893
92894 e_0_1_0 = zeta*( &
92895 +c2*e_0_0_0&
92896
92897 )
92898 e_0_0_1 = zetb*( &
92899 +c3*e_0_0_0&
92900
92901 )
92902 e_1_1_0 = zeta*( c1*e_0_0_0 &
92903
92904
92905 )
92906 e_1_0_1 = zetb*( c1*e_0_0_0 &
92907
92908
92909 )
92910 e_0_2_0 = zeta*( &
92911 +c2*e_0_1_0&
92912 +2*e_1_1_0 &
92913 -2*e_0_0_0)
92914 e_0_1_1 = zetb*( &
92915 +c3*e_0_1_0&
92916 +2*e_1_1_0 &
92917 )
92918 e_1_2_0 = zeta*( c1*e_0_1_0 &
92919 +c2*e_1_1_0&
92920
92921 )
92922 e_1_1_1 = zetb*( c1*e_0_1_0 &
92923 +c3*e_1_1_0&
92924
92925 )
92926 e_2_2_0 = zeta*( c1*e_1_1_0 &
92927
92928
92929 )
92930 e_2_1_1 = zetb*( c1*e_1_1_0 &
92931
92932
92933 )
92934 e_0_3_0 = zeta*( &
92935 +c2*e_0_2_0&
92936 +2*e_1_2_0 &
92937 -4*e_0_1_0)
92938 e_0_2_1 = zetb*( &
92939 +c3*e_0_2_0&
92940 +2*e_1_2_0 &
92941 )
92942 e_1_3_0 = zeta*( c1*e_0_2_0 &
92943 +c2*e_1_2_0&
92944 +4*e_2_2_0 &
92945 -4*e_1_1_0)
92946 e_1_2_1 = zetb*( c1*e_0_2_0 &
92947 +c3*e_1_2_0&
92948 +4*e_2_2_0 &
92949 )
92950 e_2_3_0 = zeta*( c1*e_1_2_0 &
92951 +c2*e_2_2_0&
92952
92953 )
92954 e_2_2_1 = zetb*( c1*e_1_2_0 &
92955 +c3*e_2_2_0&
92956
92957 )
92958 e_3_3_0 = zeta*( c1*e_2_2_0 &
92959
92960
92961 )
92962 e_3_2_1 = zetb*( c1*e_2_2_0 &
92963
92964
92965 )
92966 e_0_3_1 = zetb*( &
92967 +c3*e_0_3_0&
92968 +2*e_1_3_0 &
92969 )
92970 e_1_3_1 = zetb*( c1*e_0_3_0 &
92971 +c3*e_1_3_0&
92972 +4*e_2_3_0 &
92973 )
92974 e_2_3_1 = zetb*( c1*e_1_3_0 &
92975 +c3*e_2_3_0&
92976 +6*e_3_3_0 &
92977 )
92978 e_3_3_1 = zetb*( c1*e_2_3_0 &
92979 +c3*e_3_3_0&
92980
92981 )
92982 e_4_3_1 = zetb*( c1*e_3_3_0 &
92983
92984
92985 )
92986 e_0_1_1 = zeta*( &
92987 +c2*e_0_0_1&
92988 +2*e_1_0_1 &
92989 )
92990 e_0_0_2 = zetb*( &
92991 +c3*e_0_0_1&
92992 +2*e_1_0_1 &
92993 -2*e_0_0_0)
92994 e_1_1_1 = zeta*( c1*e_0_0_1 &
92995 +c2*e_1_0_1&
92996
92997 )
92998 e_1_0_2 = zetb*( c1*e_0_0_1 &
92999 +c3*e_1_0_1&
93000
93001 )
93002 e_2_1_1 = zeta*( c1*e_1_0_1 &
93003
93004
93005 )
93006 e_2_0_2 = zetb*( c1*e_1_0_1 &
93007
93008
93009 )
93010 e_0_2_1 = zeta*( &
93011 +c2*e_0_1_1&
93012 +2*e_1_1_1 &
93013 -2*e_0_0_1)
93014 e_0_1_2 = zetb*( &
93015 +c3*e_0_1_1&
93016 +2*e_1_1_1 &
93017 -2*e_0_1_0)
93018 e_1_2_1 = zeta*( c1*e_0_1_1 &
93019 +c2*e_1_1_1&
93020 +4*e_2_1_1 &
93021 -2*e_1_0_1)
93022 e_1_1_2 = zetb*( c1*e_0_1_1 &
93023 +c3*e_1_1_1&
93024 +4*e_2_1_1 &
93025 -2*e_1_1_0)
93026 e_2_2_1 = zeta*( c1*e_1_1_1 &
93027 +c2*e_2_1_1&
93028
93029 )
93030 e_2_1_2 = zetb*( c1*e_1_1_1 &
93031 +c3*e_2_1_1&
93032
93033 )
93034 e_3_2_1 = zeta*( c1*e_2_1_1 &
93035
93036
93037 )
93038 e_3_1_2 = zetb*( c1*e_2_1_1 &
93039
93040
93041 )
93042 e_0_3_1 = zeta*( &
93043 +c2*e_0_2_1&
93044 +2*e_1_2_1 &
93045 -4*e_0_1_1)
93046 e_0_2_2 = zetb*( &
93047 +c3*e_0_2_1&
93048 +2*e_1_2_1 &
93049 -2*e_0_2_0)
93050 e_1_3_1 = zeta*( c1*e_0_2_1 &
93051 +c2*e_1_2_1&
93052 +4*e_2_2_1 &
93053 -4*e_1_1_1)
93054 e_1_2_2 = zetb*( c1*e_0_2_1 &
93055 +c3*e_1_2_1&
93056 +4*e_2_2_1 &
93057 -2*e_1_2_0)
93058 e_2_3_1 = zeta*( c1*e_1_2_1 &
93059 +c2*e_2_2_1&
93060 +6*e_3_2_1 &
93061 -4*e_2_1_1)
93062 e_2_2_2 = zetb*( c1*e_1_2_1 &
93063 +c3*e_2_2_1&
93064 +6*e_3_2_1 &
93065 -2*e_2_2_0)
93066 e_3_3_1 = zeta*( c1*e_2_2_1 &
93067 +c2*e_3_2_1&
93068
93069 )
93070 e_3_2_2 = zetb*( c1*e_2_2_1 &
93071 +c3*e_3_2_1&
93072
93073 )
93074 e_4_3_1 = zeta*( c1*e_3_2_1 &
93075
93076
93077 )
93078 e_4_2_2 = zetb*( c1*e_3_2_1 &
93079
93080
93081 )
93082 e_0_3_2 = zetb*( &
93083 +c3*e_0_3_1&
93084 +2*e_1_3_1 &
93085 -2*e_0_3_0)
93086 e_1_3_2 = zetb*( c1*e_0_3_1 &
93087 +c3*e_1_3_1&
93088 +4*e_2_3_1 &
93089 -2*e_1_3_0)
93090 e_2_3_2 = zetb*( c1*e_1_3_1 &
93091 +c3*e_2_3_1&
93092 +6*e_3_3_1 &
93093 -2*e_2_3_0)
93094 e_3_3_2 = zetb*( c1*e_2_3_1 &
93095 +c3*e_3_3_1&
93096 +8*e_4_3_1 &
93097 -2*e_3_3_0)
93098 e_4_3_2 = zetb*( c1*e_3_3_1 &
93099 +c3*e_4_3_1&
93100
93101 )
93102 e_5_3_2 = zetb*( c1*e_4_3_1 &
93103
93104
93105 )
93106 e_0_1_2 = zeta*( &
93107 +c2*e_0_0_2&
93108 +2*e_1_0_2 &
93109 )
93110 e_0_0_3 = zetb*( &
93111 +c3*e_0_0_2&
93112 +2*e_1_0_2 &
93113 -4*e_0_0_1)
93114 e_1_1_2 = zeta*( c1*e_0_0_2 &
93115 +c2*e_1_0_2&
93116 +4*e_2_0_2 &
93117 )
93118 e_1_0_3 = zetb*( c1*e_0_0_2 &
93119 +c3*e_1_0_2&
93120 +4*e_2_0_2 &
93121 -4*e_1_0_1)
93122 e_2_1_2 = zeta*( c1*e_1_0_2 &
93123 +c2*e_2_0_2&
93124
93125 )
93126 e_2_0_3 = zetb*( c1*e_1_0_2 &
93127 +c3*e_2_0_2&
93128
93129 )
93130 e_3_1_2 = zeta*( c1*e_2_0_2 &
93131
93132
93133 )
93134 e_3_0_3 = zetb*( c1*e_2_0_2 &
93135
93136
93137 )
93138 e_0_2_2 = zeta*( &
93139 +c2*e_0_1_2&
93140 +2*e_1_1_2 &
93141 -2*e_0_0_2)
93142 e_0_1_3 = zetb*( &
93143 +c3*e_0_1_2&
93144 +2*e_1_1_2 &
93145 -4*e_0_1_1)
93146 e_1_2_2 = zeta*( c1*e_0_1_2 &
93147 +c2*e_1_1_2&
93148 +4*e_2_1_2 &
93149 -2*e_1_0_2)
93150 e_1_1_3 = zetb*( c1*e_0_1_2 &
93151 +c3*e_1_1_2&
93152 +4*e_2_1_2 &
93153 -4*e_1_1_1)
93154 e_2_2_2 = zeta*( c1*e_1_1_2 &
93155 +c2*e_2_1_2&
93156 +6*e_3_1_2 &
93157 -2*e_2_0_2)
93158 e_2_1_3 = zetb*( c1*e_1_1_2 &
93159 +c3*e_2_1_2&
93160 +6*e_3_1_2 &
93161 -4*e_2_1_1)
93162 e_3_2_2 = zeta*( c1*e_2_1_2 &
93163 +c2*e_3_1_2&
93164
93165 )
93166 e_3_1_3 = zetb*( c1*e_2_1_2 &
93167 +c3*e_3_1_2&
93168
93169 )
93170 e_4_2_2 = zeta*( c1*e_3_1_2 &
93171
93172
93173 )
93174 e_4_1_3 = zetb*( c1*e_3_1_2 &
93175
93176
93177 )
93178 e_0_3_2 = zeta*( &
93179 +c2*e_0_2_2&
93180 +2*e_1_2_2 &
93181 -4*e_0_1_2)
93182 e_0_2_3 = zetb*( &
93183 +c3*e_0_2_2&
93184 +2*e_1_2_2 &
93185 -4*e_0_2_1)
93186 e_1_3_2 = zeta*( c1*e_0_2_2 &
93187 +c2*e_1_2_2&
93188 +4*e_2_2_2 &
93189 -4*e_1_1_2)
93190 e_1_2_3 = zetb*( c1*e_0_2_2 &
93191 +c3*e_1_2_2&
93192 +4*e_2_2_2 &
93193 -4*e_1_2_1)
93194 e_2_3_2 = zeta*( c1*e_1_2_2 &
93195 +c2*e_2_2_2&
93196 +6*e_3_2_2 &
93197 -4*e_2_1_2)
93198 e_2_2_3 = zetb*( c1*e_1_2_2 &
93199 +c3*e_2_2_2&
93200 +6*e_3_2_2 &
93201 -4*e_2_2_1)
93202 e_3_3_2 = zeta*( c1*e_2_2_2 &
93203 +c2*e_3_2_2&
93204 +8*e_4_2_2 &
93205 -4*e_3_1_2)
93206 e_3_2_3 = zetb*( c1*e_2_2_2 &
93207 +c3*e_3_2_2&
93208 +8*e_4_2_2 &
93209 -4*e_3_2_1)
93210 e_4_3_2 = zeta*( c1*e_3_2_2 &
93211 +c2*e_4_2_2&
93212
93213 )
93214 e_4_2_3 = zetb*( c1*e_3_2_2 &
93215 +c3*e_4_2_2&
93216
93217 )
93218 e_5_3_2 = zeta*( c1*e_4_2_2 &
93219
93220
93221 )
93222 e_5_2_3 = zetb*( c1*e_4_2_2 &
93223
93224
93225 )
93226 e_0_3_3 = zetb*( &
93227 +c3*e_0_3_2&
93228 +2*e_1_3_2 &
93229 -4*e_0_3_1)
93230 e_1_3_3 = zetb*( c1*e_0_3_2 &
93231 +c3*e_1_3_2&
93232 +4*e_2_3_2 &
93233 -4*e_1_3_1)
93234 e_2_3_3 = zetb*( c1*e_1_3_2 &
93235 +c3*e_2_3_2&
93236 +6*e_3_3_2 &
93237 -4*e_2_3_1)
93238 e_3_3_3 = zetb*( c1*e_2_3_2 &
93239 +c3*e_3_3_2&
93240 +8*e_4_3_2 &
93241 -4*e_3_3_1)
93242 e_4_3_3 = zetb*( c1*e_3_3_2 &
93243 +c3*e_4_3_2&
93244 +10*e_5_3_2 &
93245 -4*e_4_3_1)
93246 e_5_3_3 = zetb*( c1*e_4_3_2 &
93247 +c3*e_5_3_2&
93248
93249 )
93250 e_6_3_3 = zetb*( c1*e_5_3_2 &
93251
93252
93253 )
93254 e_0_1_3 = zeta*( &
93255 +c2*e_0_0_3&
93256 +2*e_1_0_3 &
93257 )
93258 e_1_1_3 = zeta*( c1*e_0_0_3 &
93259 +c2*e_1_0_3&
93260 +4*e_2_0_3 &
93261 )
93262 e_2_1_3 = zeta*( c1*e_1_0_3 &
93263 +c2*e_2_0_3&
93264 +6*e_3_0_3 &
93265 )
93266 e_3_1_3 = zeta*( c1*e_2_0_3 &
93267 +c2*e_3_0_3&
93268
93269 )
93270 e_4_1_3 = zeta*( c1*e_3_0_3 &
93271
93272
93273 )
93274 e_0_2_3 = zeta*( &
93275 +c2*e_0_1_3&
93276 +2*e_1_1_3 &
93277 -2*e_0_0_3)
93278 e_1_2_3 = zeta*( c1*e_0_1_3 &
93279 +c2*e_1_1_3&
93280 +4*e_2_1_3 &
93281 -2*e_1_0_3)
93282 e_2_2_3 = zeta*( c1*e_1_1_3 &
93283 +c2*e_2_1_3&
93284 +6*e_3_1_3 &
93285 -2*e_2_0_3)
93286 e_3_2_3 = zeta*( c1*e_2_1_3 &
93287 +c2*e_3_1_3&
93288 +8*e_4_1_3 &
93289 -2*e_3_0_3)
93290 e_4_2_3 = zeta*( c1*e_3_1_3 &
93291 +c2*e_4_1_3&
93292
93293 )
93294 e_5_2_3 = zeta*( c1*e_4_1_3 &
93295
93296
93297 )
93298 e_0_3_3 = zeta*( &
93299 +c2*e_0_2_3&
93300 +2*e_1_2_3 &
93301 -4*e_0_1_3)
93302 e_1_3_3 = zeta*( c1*e_0_2_3 &
93303 +c2*e_1_2_3&
93304 +4*e_2_2_3 &
93305 -4*e_1_1_3)
93306 e_2_3_3 = zeta*( c1*e_1_2_3 &
93307 +c2*e_2_2_3&
93308 +6*e_3_2_3 &
93309 -4*e_2_1_3)
93310 e_3_3_3 = zeta*( c1*e_2_2_3 &
93311 +c2*e_3_2_3&
93312 +8*e_4_2_3 &
93313 -4*e_3_1_3)
93314 e_4_3_3 = zeta*( c1*e_3_2_3 &
93315 +c2*e_4_2_3&
93316 +10*e_5_2_3 &
93317 -4*e_4_1_3)
93318 e_5_3_3 = zeta*( c1*e_4_2_3 &
93319 +c2*e_5_2_3&
93320
93321 )
93322 e_6_3_3 = zeta*( c1*e_5_2_3 &
93323
93324
93325 )
93326
93327 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
93328 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
93329 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
93330 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
93331 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
93332 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
93333 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
93334 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
93335 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
93336 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
93337 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
93338 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
93339 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
93340 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
93341 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
93342 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
93343 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
93344 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
93345 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
93346 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
93347 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
93348 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
93349 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
93350 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93351 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
93352 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
93353 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
93354 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
93355 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
93356 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
93357 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
93358 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
93359 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
93360 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
93361 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
93362 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93363 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
93364 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
93365 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
93366 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
93367 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93368 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93369 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
93370 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
93371 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
93372 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
93373 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
93374 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
93375 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
93376 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
93377 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93378 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
93379 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
93380 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
93381 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
93382 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93383 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93384 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
93385 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
93386 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
93387 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
93388 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93389 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93390 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93391 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
93392 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
93393 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
93394 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
93395 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
93396 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
93397 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
93398 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
93399 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
93400 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
93401 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
93402 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
93403 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
93404 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
93405 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
93406 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
93407 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
93408 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
93409 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
93410 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
93411 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
93412 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
93413 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
93414 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
93415 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
93416 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
93417 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
93418 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
93419 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
93420 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
93421 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
93422 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
93423 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
93424 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
93425 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
93426 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
93427 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
93428 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
93429 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
93430 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
93431 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
93432 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
93433 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
93434 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
93435 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
93436 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
93437 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
93438 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
93439 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
93440 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
93441 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
93442 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
93443 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
93444 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
93445 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
93446 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
93447 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
93448 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
93449 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
93450 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
93451 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
93452 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
93453 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
93454 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
93455 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
93456 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
93457 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
93458 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
93459 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
93460 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
93461 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
93462 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
93463 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
93464 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
93465 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
93466 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
93467 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
93468 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
93469 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
93470 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
93471 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
93472 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
93473 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
93474 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
93475 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
93476 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93477 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
93478 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
93479 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
93480 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
93481 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
93482 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
93483 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
93484 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
93485 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
93486 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
93487 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
93488 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93489 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
93490 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
93491 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
93492 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
93493 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93494 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93495 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
93496 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
93497 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
93498 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
93499 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
93500 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
93501 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
93502 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
93503 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93504 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
93505 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
93506 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
93507 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
93508 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93509 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93510 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
93511 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
93512 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
93513 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
93514 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93515 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93516 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93517 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
93518 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
93519 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
93520 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
93521 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
93522 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
93523 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
93524 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
93525 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
93526 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
93527 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
93528 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
93529 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
93530 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
93531 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
93532 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
93533 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
93534 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
93535 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
93536 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
93537 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
93538 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
93539 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
93540 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
93541 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
93542 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
93543 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
93544 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
93545 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
93546 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
93547 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
93548 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
93549 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
93550 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
93551 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
93552 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
93553 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
93554 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
93555 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
93556 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
93557 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
93558 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
93559 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
93560 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
93561 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
93562 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
93563 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
93564 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
93565 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
93566 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
93567 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
93568 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
93569 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
93570 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
93571 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
93572 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
93573 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
93574 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
93575 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
93576 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
93577 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
93578 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
93579 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
93580 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
93581 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
93582 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
93583 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
93584 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
93585 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
93586 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
93587 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
93588 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
93589 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
93590 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
93591 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
93592 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
93593 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
93594 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
93595 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
93596 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
93597 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
93598 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
93599 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
93600 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
93601 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
93602 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93603 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
93604 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
93605 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
93606 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
93607 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
93608 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
93609 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
93610 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
93611 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
93612 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
93613 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
93614 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93615 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
93616 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
93617 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
93618 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
93619 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93620 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93621 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
93622 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
93623 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
93624 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
93625 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
93626 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
93627 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
93628 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
93629 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93630 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
93631 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
93632 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
93633 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
93634 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93635 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93636 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
93637 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
93638 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
93639 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
93640 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93641 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93642 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93643 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
93644 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
93645 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
93646 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
93647 r1 = r1 + dr
93648 END DO
93649
93650 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
93651 END SUBROUTINE
93652 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_0_exp_1 ( &
93653 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
93654 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
93655 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
93656 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
93657 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
93658 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
93659 r_pow_t, r_tmp, rr1_delta, rr2_delta
93660
93661 REAL(kind=dp) :: c1, c2, c3
93662 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
93663 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
93664 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
93665 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
93666 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
93667 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
93668 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
93669 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
93670 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
93671 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
93672 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
93673 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
93674 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
93675
93676 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
93677
93678 dr = lgth
93679 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
93680
93681 s_r(:, :, :) = 0.0_dp
93682
93683 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
93684
93685 h_to_c_0_0 = sqrt(alpha/pi)
93686
93687 h_to_c_0_1 = 0.0_dp
93688 h_to_c_1_1 = +2*alpha*h_to_c_0_0
93689 h_to_c_0_2 = -1*h_to_c_1_1
93690 h_to_c_1_2 = +2*alpha*h_to_c_0_1
93691 h_to_c_2_2 = +2*alpha*h_to_c_1_1
93692 h_to_c_0_3 = -1*h_to_c_1_2
93693 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
93694 h_to_c_2_3 = +2*alpha*h_to_c_1_2
93695 h_to_c_3_3 = +2*alpha*h_to_c_2_2
93696 h_to_c_0_4 = -1*h_to_c_1_3
93697 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
93698 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
93699 h_to_c_3_4 = +2*alpha*h_to_c_2_3
93700 h_to_c_4_4 = +2*alpha*h_to_c_3_3
93701 h_to_c_0_5 = -1*h_to_c_1_4
93702 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
93703 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
93704 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
93705 h_to_c_4_5 = +2*alpha*h_to_c_3_4
93706 h_to_c_5_5 = +2*alpha*h_to_c_4_4
93707 h_to_c_0_6 = -1*h_to_c_1_5
93708 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
93709 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
93710 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
93711 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
93712 h_to_c_5_6 = +2*alpha*h_to_c_4_5
93713 h_to_c_6_6 = +2*alpha*h_to_c_5_5
93714 h_to_c_0_7 = -1*h_to_c_1_6
93715 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
93716 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
93717 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
93718 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
93719 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
93720 h_to_c_6_7 = +2*alpha*h_to_c_5_6
93721 h_to_c_7_7 = +2*alpha*h_to_c_6_6
93722
93723 exp_drsq = exp(-alpha*dr*dr)
93724 exp_2drsq = exp_drsq*exp_drsq
93725
93726 rr1_delta = (ra - rb)/dr
93727
93728 rr1_l = ceiling(-r_c(1) + rr1_delta)
93729 rr1_r = floor(r_c(1) + rr1_delta)
93730
93731 r1 = rr1_l*dr
93732
93733 alpha_e = zeta*zetb/(zeta + zetb)
93734
93735 DO rr1 = rr1_l, rr1_r
93736 s_r_t_0 = 0.0_dp
93737 s_r_t2_0 = 0.0_dp
93738 s_r_t_1 = 0.0_dp
93739 s_r_t2_1 = 0.0_dp
93740 s_r_t_2 = 0.0_dp
93741 s_r_t2_2 = 0.0_dp
93742 s_r_t_3 = 0.0_dp
93743 s_r_t2_3 = 0.0_dp
93744 s_r_t_4 = 0.0_dp
93745 s_r_t2_4 = 0.0_dp
93746 s_r_t_5 = 0.0_dp
93747 s_r_t2_5 = 0.0_dp
93748 s_r_t_6 = 0.0_dp
93749 s_r_t2_6 = 0.0_dp
93750 s_r_t_7 = 0.0_dp
93751 s_r_t2_7 = 0.0_dp
93752 r_tmp = r_offset + r1*zeta/(zeta + zetb)
93753 rr2_delta = -r_tmp/dr
93754
93755 rr2_l = ceiling(-r_c(2) + rr2_delta)
93756 rr2_r = floor(r_c(2) + rr2_delta)
93757
93758 r = r_tmp + (rr2_l)*dr
93759
93760 exp2_2rdr = exp(-2*alpha*r*dr)
93761 exp2_rsq = exp(-alpha*r*r)
93762
93763 DO rr2 = rr2_l, rr2_r
93764 r_pow_t = 1.0_dp
93765 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
93766 r_pow_t = r_pow_t*r
93767 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
93768 r_pow_t = r_pow_t*r
93769 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
93770 r_pow_t = r_pow_t*r
93771 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
93772 r_pow_t = r_pow_t*r
93773 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
93774 r_pow_t = r_pow_t*r
93775 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
93776 r_pow_t = r_pow_t*r
93777 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
93778 r_pow_t = r_pow_t*r
93779 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
93780
93781 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
93782 exp2_2rdr = exp2_2rdr*exp_2drsq
93783 r = r + dr
93784 END DO
93785
93786 ! C --> H
93787 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
93788 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
93789 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
93790 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
93791 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
93792 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
93793 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
93794 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
93795 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
93796 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
93797 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
93798 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
93799 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
93800 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
93801 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
93802 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
93803 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
93804 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
93805 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
93806 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
93807 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
93808 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
93809 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
93810 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
93811 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
93812 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
93813 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
93814 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
93815 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
93816 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
93817 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
93818 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
93819 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
93820 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
93821 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
93822 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
93823
93824 ! H --> HH
93825 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
93826
93827 c1 = 1.0_dp/(zeta + zetb)
93828 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
93829 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
93830
93831 e_0_1_0 = zeta*( &
93832 +c2*e_0_0_0&
93833
93834 )
93835 e_0_0_1 = zetb*( &
93836 +c3*e_0_0_0&
93837
93838 )
93839 e_1_1_0 = zeta*( c1*e_0_0_0 &
93840
93841
93842 )
93843 e_1_0_1 = zetb*( c1*e_0_0_0 &
93844
93845
93846 )
93847 e_0_2_0 = zeta*( &
93848 +c2*e_0_1_0&
93849 +2*e_1_1_0 &
93850 -2*e_0_0_0)
93851 e_0_1_1 = zetb*( &
93852 +c3*e_0_1_0&
93853 +2*e_1_1_0 &
93854 )
93855 e_1_2_0 = zeta*( c1*e_0_1_0 &
93856 +c2*e_1_1_0&
93857
93858 )
93859 e_1_1_1 = zetb*( c1*e_0_1_0 &
93860 +c3*e_1_1_0&
93861
93862 )
93863 e_2_2_0 = zeta*( c1*e_1_1_0 &
93864
93865
93866 )
93867 e_2_1_1 = zetb*( c1*e_1_1_0 &
93868
93869
93870 )
93871 e_0_3_0 = zeta*( &
93872 +c2*e_0_2_0&
93873 +2*e_1_2_0 &
93874 -4*e_0_1_0)
93875 e_0_2_1 = zetb*( &
93876 +c3*e_0_2_0&
93877 +2*e_1_2_0 &
93878 )
93879 e_1_3_0 = zeta*( c1*e_0_2_0 &
93880 +c2*e_1_2_0&
93881 +4*e_2_2_0 &
93882 -4*e_1_1_0)
93883 e_1_2_1 = zetb*( c1*e_0_2_0 &
93884 +c3*e_1_2_0&
93885 +4*e_2_2_0 &
93886 )
93887 e_2_3_0 = zeta*( c1*e_1_2_0 &
93888 +c2*e_2_2_0&
93889
93890 )
93891 e_2_2_1 = zetb*( c1*e_1_2_0 &
93892 +c3*e_2_2_0&
93893
93894 )
93895 e_3_3_0 = zeta*( c1*e_2_2_0 &
93896
93897
93898 )
93899 e_3_2_1 = zetb*( c1*e_2_2_0 &
93900
93901
93902 )
93903 e_0_3_1 = zetb*( &
93904 +c3*e_0_3_0&
93905 +2*e_1_3_0 &
93906 )
93907 e_1_3_1 = zetb*( c1*e_0_3_0 &
93908 +c3*e_1_3_0&
93909 +4*e_2_3_0 &
93910 )
93911 e_2_3_1 = zetb*( c1*e_1_3_0 &
93912 +c3*e_2_3_0&
93913 +6*e_3_3_0 &
93914 )
93915 e_3_3_1 = zetb*( c1*e_2_3_0 &
93916 +c3*e_3_3_0&
93917
93918 )
93919 e_4_3_1 = zetb*( c1*e_3_3_0 &
93920
93921
93922 )
93923 e_0_1_1 = zeta*( &
93924 +c2*e_0_0_1&
93925 +2*e_1_0_1 &
93926 )
93927 e_0_0_2 = zetb*( &
93928 +c3*e_0_0_1&
93929 +2*e_1_0_1 &
93930 -2*e_0_0_0)
93931 e_1_1_1 = zeta*( c1*e_0_0_1 &
93932 +c2*e_1_0_1&
93933
93934 )
93935 e_1_0_2 = zetb*( c1*e_0_0_1 &
93936 +c3*e_1_0_1&
93937
93938 )
93939 e_2_1_1 = zeta*( c1*e_1_0_1 &
93940
93941
93942 )
93943 e_2_0_2 = zetb*( c1*e_1_0_1 &
93944
93945
93946 )
93947 e_0_2_1 = zeta*( &
93948 +c2*e_0_1_1&
93949 +2*e_1_1_1 &
93950 -2*e_0_0_1)
93951 e_0_1_2 = zetb*( &
93952 +c3*e_0_1_1&
93953 +2*e_1_1_1 &
93954 -2*e_0_1_0)
93955 e_1_2_1 = zeta*( c1*e_0_1_1 &
93956 +c2*e_1_1_1&
93957 +4*e_2_1_1 &
93958 -2*e_1_0_1)
93959 e_1_1_2 = zetb*( c1*e_0_1_1 &
93960 +c3*e_1_1_1&
93961 +4*e_2_1_1 &
93962 -2*e_1_1_0)
93963 e_2_2_1 = zeta*( c1*e_1_1_1 &
93964 +c2*e_2_1_1&
93965
93966 )
93967 e_2_1_2 = zetb*( c1*e_1_1_1 &
93968 +c3*e_2_1_1&
93969
93970 )
93971 e_3_2_1 = zeta*( c1*e_2_1_1 &
93972
93973
93974 )
93975 e_3_1_2 = zetb*( c1*e_2_1_1 &
93976
93977
93978 )
93979 e_0_3_1 = zeta*( &
93980 +c2*e_0_2_1&
93981 +2*e_1_2_1 &
93982 -4*e_0_1_1)
93983 e_0_2_2 = zetb*( &
93984 +c3*e_0_2_1&
93985 +2*e_1_2_1 &
93986 -2*e_0_2_0)
93987 e_1_3_1 = zeta*( c1*e_0_2_1 &
93988 +c2*e_1_2_1&
93989 +4*e_2_2_1 &
93990 -4*e_1_1_1)
93991 e_1_2_2 = zetb*( c1*e_0_2_1 &
93992 +c3*e_1_2_1&
93993 +4*e_2_2_1 &
93994 -2*e_1_2_0)
93995 e_2_3_1 = zeta*( c1*e_1_2_1 &
93996 +c2*e_2_2_1&
93997 +6*e_3_2_1 &
93998 -4*e_2_1_1)
93999 e_2_2_2 = zetb*( c1*e_1_2_1 &
94000 +c3*e_2_2_1&
94001 +6*e_3_2_1 &
94002 -2*e_2_2_0)
94003 e_3_3_1 = zeta*( c1*e_2_2_1 &
94004 +c2*e_3_2_1&
94005
94006 )
94007 e_3_2_2 = zetb*( c1*e_2_2_1 &
94008 +c3*e_3_2_1&
94009
94010 )
94011 e_4_3_1 = zeta*( c1*e_3_2_1 &
94012
94013
94014 )
94015 e_4_2_2 = zetb*( c1*e_3_2_1 &
94016
94017
94018 )
94019 e_0_3_2 = zetb*( &
94020 +c3*e_0_3_1&
94021 +2*e_1_3_1 &
94022 -2*e_0_3_0)
94023 e_1_3_2 = zetb*( c1*e_0_3_1 &
94024 +c3*e_1_3_1&
94025 +4*e_2_3_1 &
94026 -2*e_1_3_0)
94027 e_2_3_2 = zetb*( c1*e_1_3_1 &
94028 +c3*e_2_3_1&
94029 +6*e_3_3_1 &
94030 -2*e_2_3_0)
94031 e_3_3_2 = zetb*( c1*e_2_3_1 &
94032 +c3*e_3_3_1&
94033 +8*e_4_3_1 &
94034 -2*e_3_3_0)
94035 e_4_3_2 = zetb*( c1*e_3_3_1 &
94036 +c3*e_4_3_1&
94037
94038 )
94039 e_5_3_2 = zetb*( c1*e_4_3_1 &
94040
94041
94042 )
94043 e_0_1_2 = zeta*( &
94044 +c2*e_0_0_2&
94045 +2*e_1_0_2 &
94046 )
94047 e_0_0_3 = zetb*( &
94048 +c3*e_0_0_2&
94049 +2*e_1_0_2 &
94050 -4*e_0_0_1)
94051 e_1_1_2 = zeta*( c1*e_0_0_2 &
94052 +c2*e_1_0_2&
94053 +4*e_2_0_2 &
94054 )
94055 e_1_0_3 = zetb*( c1*e_0_0_2 &
94056 +c3*e_1_0_2&
94057 +4*e_2_0_2 &
94058 -4*e_1_0_1)
94059 e_2_1_2 = zeta*( c1*e_1_0_2 &
94060 +c2*e_2_0_2&
94061
94062 )
94063 e_2_0_3 = zetb*( c1*e_1_0_2 &
94064 +c3*e_2_0_2&
94065
94066 )
94067 e_3_1_2 = zeta*( c1*e_2_0_2 &
94068
94069
94070 )
94071 e_3_0_3 = zetb*( c1*e_2_0_2 &
94072
94073
94074 )
94075 e_0_2_2 = zeta*( &
94076 +c2*e_0_1_2&
94077 +2*e_1_1_2 &
94078 -2*e_0_0_2)
94079 e_0_1_3 = zetb*( &
94080 +c3*e_0_1_2&
94081 +2*e_1_1_2 &
94082 -4*e_0_1_1)
94083 e_1_2_2 = zeta*( c1*e_0_1_2 &
94084 +c2*e_1_1_2&
94085 +4*e_2_1_2 &
94086 -2*e_1_0_2)
94087 e_1_1_3 = zetb*( c1*e_0_1_2 &
94088 +c3*e_1_1_2&
94089 +4*e_2_1_2 &
94090 -4*e_1_1_1)
94091 e_2_2_2 = zeta*( c1*e_1_1_2 &
94092 +c2*e_2_1_2&
94093 +6*e_3_1_2 &
94094 -2*e_2_0_2)
94095 e_2_1_3 = zetb*( c1*e_1_1_2 &
94096 +c3*e_2_1_2&
94097 +6*e_3_1_2 &
94098 -4*e_2_1_1)
94099 e_3_2_2 = zeta*( c1*e_2_1_2 &
94100 +c2*e_3_1_2&
94101
94102 )
94103 e_3_1_3 = zetb*( c1*e_2_1_2 &
94104 +c3*e_3_1_2&
94105
94106 )
94107 e_4_2_2 = zeta*( c1*e_3_1_2 &
94108
94109
94110 )
94111 e_4_1_3 = zetb*( c1*e_3_1_2 &
94112
94113
94114 )
94115 e_0_3_2 = zeta*( &
94116 +c2*e_0_2_2&
94117 +2*e_1_2_2 &
94118 -4*e_0_1_2)
94119 e_0_2_3 = zetb*( &
94120 +c3*e_0_2_2&
94121 +2*e_1_2_2 &
94122 -4*e_0_2_1)
94123 e_1_3_2 = zeta*( c1*e_0_2_2 &
94124 +c2*e_1_2_2&
94125 +4*e_2_2_2 &
94126 -4*e_1_1_2)
94127 e_1_2_3 = zetb*( c1*e_0_2_2 &
94128 +c3*e_1_2_2&
94129 +4*e_2_2_2 &
94130 -4*e_1_2_1)
94131 e_2_3_2 = zeta*( c1*e_1_2_2 &
94132 +c2*e_2_2_2&
94133 +6*e_3_2_2 &
94134 -4*e_2_1_2)
94135 e_2_2_3 = zetb*( c1*e_1_2_2 &
94136 +c3*e_2_2_2&
94137 +6*e_3_2_2 &
94138 -4*e_2_2_1)
94139 e_3_3_2 = zeta*( c1*e_2_2_2 &
94140 +c2*e_3_2_2&
94141 +8*e_4_2_2 &
94142 -4*e_3_1_2)
94143 e_3_2_3 = zetb*( c1*e_2_2_2 &
94144 +c3*e_3_2_2&
94145 +8*e_4_2_2 &
94146 -4*e_3_2_1)
94147 e_4_3_2 = zeta*( c1*e_3_2_2 &
94148 +c2*e_4_2_2&
94149
94150 )
94151 e_4_2_3 = zetb*( c1*e_3_2_2 &
94152 +c3*e_4_2_2&
94153
94154 )
94155 e_5_3_2 = zeta*( c1*e_4_2_2 &
94156
94157
94158 )
94159 e_5_2_3 = zetb*( c1*e_4_2_2 &
94160
94161
94162 )
94163 e_0_3_3 = zetb*( &
94164 +c3*e_0_3_2&
94165 +2*e_1_3_2 &
94166 -4*e_0_3_1)
94167 e_1_3_3 = zetb*( c1*e_0_3_2 &
94168 +c3*e_1_3_2&
94169 +4*e_2_3_2 &
94170 -4*e_1_3_1)
94171 e_2_3_3 = zetb*( c1*e_1_3_2 &
94172 +c3*e_2_3_2&
94173 +6*e_3_3_2 &
94174 -4*e_2_3_1)
94175 e_3_3_3 = zetb*( c1*e_2_3_2 &
94176 +c3*e_3_3_2&
94177 +8*e_4_3_2 &
94178 -4*e_3_3_1)
94179 e_4_3_3 = zetb*( c1*e_3_3_2 &
94180 +c3*e_4_3_2&
94181 +10*e_5_3_2 &
94182 -4*e_4_3_1)
94183 e_5_3_3 = zetb*( c1*e_4_3_2 &
94184 +c3*e_5_3_2&
94185
94186 )
94187 e_6_3_3 = zetb*( c1*e_5_3_2 &
94188
94189
94190 )
94191 e_0_1_3 = zeta*( &
94192 +c2*e_0_0_3&
94193 +2*e_1_0_3 &
94194 )
94195 e_0_0_4 = zetb*( &
94196 +c3*e_0_0_3&
94197 +2*e_1_0_3 &
94198 -6*e_0_0_2)
94199 e_1_1_3 = zeta*( c1*e_0_0_3 &
94200 +c2*e_1_0_3&
94201 +4*e_2_0_3 &
94202 )
94203 e_1_0_4 = zetb*( c1*e_0_0_3 &
94204 +c3*e_1_0_3&
94205 +4*e_2_0_3 &
94206 -6*e_1_0_2)
94207 e_2_1_3 = zeta*( c1*e_1_0_3 &
94208 +c2*e_2_0_3&
94209 +6*e_3_0_3 &
94210 )
94211 e_2_0_4 = zetb*( c1*e_1_0_3 &
94212 +c3*e_2_0_3&
94213 +6*e_3_0_3 &
94214 -6*e_2_0_2)
94215 e_3_1_3 = zeta*( c1*e_2_0_3 &
94216 +c2*e_3_0_3&
94217
94218 )
94219 e_3_0_4 = zetb*( c1*e_2_0_3 &
94220 +c3*e_3_0_3&
94221
94222 )
94223 e_4_1_3 = zeta*( c1*e_3_0_3 &
94224
94225
94226 )
94227 e_4_0_4 = zetb*( c1*e_3_0_3 &
94228
94229
94230 )
94231 e_0_2_3 = zeta*( &
94232 +c2*e_0_1_3&
94233 +2*e_1_1_3 &
94234 -2*e_0_0_3)
94235 e_0_1_4 = zetb*( &
94236 +c3*e_0_1_3&
94237 +2*e_1_1_3 &
94238 -6*e_0_1_2)
94239 e_1_2_3 = zeta*( c1*e_0_1_3 &
94240 +c2*e_1_1_3&
94241 +4*e_2_1_3 &
94242 -2*e_1_0_3)
94243 e_1_1_4 = zetb*( c1*e_0_1_3 &
94244 +c3*e_1_1_3&
94245 +4*e_2_1_3 &
94246 -6*e_1_1_2)
94247 e_2_2_3 = zeta*( c1*e_1_1_3 &
94248 +c2*e_2_1_3&
94249 +6*e_3_1_3 &
94250 -2*e_2_0_3)
94251 e_2_1_4 = zetb*( c1*e_1_1_3 &
94252 +c3*e_2_1_3&
94253 +6*e_3_1_3 &
94254 -6*e_2_1_2)
94255 e_3_2_3 = zeta*( c1*e_2_1_3 &
94256 +c2*e_3_1_3&
94257 +8*e_4_1_3 &
94258 -2*e_3_0_3)
94259 e_3_1_4 = zetb*( c1*e_2_1_3 &
94260 +c3*e_3_1_3&
94261 +8*e_4_1_3 &
94262 -6*e_3_1_2)
94263 e_4_2_3 = zeta*( c1*e_3_1_3 &
94264 +c2*e_4_1_3&
94265
94266 )
94267 e_4_1_4 = zetb*( c1*e_3_1_3 &
94268 +c3*e_4_1_3&
94269
94270 )
94271 e_5_2_3 = zeta*( c1*e_4_1_3 &
94272
94273
94274 )
94275 e_5_1_4 = zetb*( c1*e_4_1_3 &
94276
94277
94278 )
94279 e_0_3_3 = zeta*( &
94280 +c2*e_0_2_3&
94281 +2*e_1_2_3 &
94282 -4*e_0_1_3)
94283 e_0_2_4 = zetb*( &
94284 +c3*e_0_2_3&
94285 +2*e_1_2_3 &
94286 -6*e_0_2_2)
94287 e_1_3_3 = zeta*( c1*e_0_2_3 &
94288 +c2*e_1_2_3&
94289 +4*e_2_2_3 &
94290 -4*e_1_1_3)
94291 e_1_2_4 = zetb*( c1*e_0_2_3 &
94292 +c3*e_1_2_3&
94293 +4*e_2_2_3 &
94294 -6*e_1_2_2)
94295 e_2_3_3 = zeta*( c1*e_1_2_3 &
94296 +c2*e_2_2_3&
94297 +6*e_3_2_3 &
94298 -4*e_2_1_3)
94299 e_2_2_4 = zetb*( c1*e_1_2_3 &
94300 +c3*e_2_2_3&
94301 +6*e_3_2_3 &
94302 -6*e_2_2_2)
94303 e_3_3_3 = zeta*( c1*e_2_2_3 &
94304 +c2*e_3_2_3&
94305 +8*e_4_2_3 &
94306 -4*e_3_1_3)
94307 e_3_2_4 = zetb*( c1*e_2_2_3 &
94308 +c3*e_3_2_3&
94309 +8*e_4_2_3 &
94310 -6*e_3_2_2)
94311 e_4_3_3 = zeta*( c1*e_3_2_3 &
94312 +c2*e_4_2_3&
94313 +10*e_5_2_3 &
94314 -4*e_4_1_3)
94315 e_4_2_4 = zetb*( c1*e_3_2_3 &
94316 +c3*e_4_2_3&
94317 +10*e_5_2_3 &
94318 -6*e_4_2_2)
94319 e_5_3_3 = zeta*( c1*e_4_2_3 &
94320 +c2*e_5_2_3&
94321
94322 )
94323 e_5_2_4 = zetb*( c1*e_4_2_3 &
94324 +c3*e_5_2_3&
94325
94326 )
94327 e_6_3_3 = zeta*( c1*e_5_2_3 &
94328
94329
94330 )
94331 e_6_2_4 = zetb*( c1*e_5_2_3 &
94332
94333
94334 )
94335 e_0_3_4 = zetb*( &
94336 +c3*e_0_3_3&
94337 +2*e_1_3_3 &
94338 -6*e_0_3_2)
94339 e_1_3_4 = zetb*( c1*e_0_3_3 &
94340 +c3*e_1_3_3&
94341 +4*e_2_3_3 &
94342 -6*e_1_3_2)
94343 e_2_3_4 = zetb*( c1*e_1_3_3 &
94344 +c3*e_2_3_3&
94345 +6*e_3_3_3 &
94346 -6*e_2_3_2)
94347 e_3_3_4 = zetb*( c1*e_2_3_3 &
94348 +c3*e_3_3_3&
94349 +8*e_4_3_3 &
94350 -6*e_3_3_2)
94351 e_4_3_4 = zetb*( c1*e_3_3_3 &
94352 +c3*e_4_3_3&
94353 +10*e_5_3_3 &
94354 -6*e_4_3_2)
94355 e_5_3_4 = zetb*( c1*e_4_3_3 &
94356 +c3*e_5_3_3&
94357 +12*e_6_3_3 &
94358 -6*e_5_3_2)
94359 e_6_3_4 = zetb*( c1*e_5_3_3 &
94360 +c3*e_6_3_3&
94361
94362 )
94363 e_7_3_4 = zetb*( c1*e_6_3_3 &
94364
94365
94366 )
94367 e_0_1_4 = zeta*( &
94368 +c2*e_0_0_4&
94369 +2*e_1_0_4 &
94370 )
94371 e_1_1_4 = zeta*( c1*e_0_0_4 &
94372 +c2*e_1_0_4&
94373 +4*e_2_0_4 &
94374 )
94375 e_2_1_4 = zeta*( c1*e_1_0_4 &
94376 +c2*e_2_0_4&
94377 +6*e_3_0_4 &
94378 )
94379 e_3_1_4 = zeta*( c1*e_2_0_4 &
94380 +c2*e_3_0_4&
94381 +8*e_4_0_4 &
94382 )
94383 e_4_1_4 = zeta*( c1*e_3_0_4 &
94384 +c2*e_4_0_4&
94385
94386 )
94387 e_5_1_4 = zeta*( c1*e_4_0_4 &
94388
94389
94390 )
94391 e_0_2_4 = zeta*( &
94392 +c2*e_0_1_4&
94393 +2*e_1_1_4 &
94394 -2*e_0_0_4)
94395 e_1_2_4 = zeta*( c1*e_0_1_4 &
94396 +c2*e_1_1_4&
94397 +4*e_2_1_4 &
94398 -2*e_1_0_4)
94399 e_2_2_4 = zeta*( c1*e_1_1_4 &
94400 +c2*e_2_1_4&
94401 +6*e_3_1_4 &
94402 -2*e_2_0_4)
94403 e_3_2_4 = zeta*( c1*e_2_1_4 &
94404 +c2*e_3_1_4&
94405 +8*e_4_1_4 &
94406 -2*e_3_0_4)
94407 e_4_2_4 = zeta*( c1*e_3_1_4 &
94408 +c2*e_4_1_4&
94409 +10*e_5_1_4 &
94410 -2*e_4_0_4)
94411 e_5_2_4 = zeta*( c1*e_4_1_4 &
94412 +c2*e_5_1_4&
94413
94414 )
94415 e_6_2_4 = zeta*( c1*e_5_1_4 &
94416
94417
94418 )
94419 e_0_3_4 = zeta*( &
94420 +c2*e_0_2_4&
94421 +2*e_1_2_4 &
94422 -4*e_0_1_4)
94423 e_1_3_4 = zeta*( c1*e_0_2_4 &
94424 +c2*e_1_2_4&
94425 +4*e_2_2_4 &
94426 -4*e_1_1_4)
94427 e_2_3_4 = zeta*( c1*e_1_2_4 &
94428 +c2*e_2_2_4&
94429 +6*e_3_2_4 &
94430 -4*e_2_1_4)
94431 e_3_3_4 = zeta*( c1*e_2_2_4 &
94432 +c2*e_3_2_4&
94433 +8*e_4_2_4 &
94434 -4*e_3_1_4)
94435 e_4_3_4 = zeta*( c1*e_3_2_4 &
94436 +c2*e_4_2_4&
94437 +10*e_5_2_4 &
94438 -4*e_4_1_4)
94439 e_5_3_4 = zeta*( c1*e_4_2_4 &
94440 +c2*e_5_2_4&
94441 +12*e_6_2_4 &
94442 -4*e_5_1_4)
94443 e_6_3_4 = zeta*( c1*e_5_2_4 &
94444 +c2*e_6_2_4&
94445
94446 )
94447 e_7_3_4 = zeta*( c1*e_6_2_4 &
94448
94449
94450 )
94451
94452 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
94453 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
94454 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
94455 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
94456 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
94457 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
94458 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
94459 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
94460 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
94461 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
94462 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
94463 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
94464 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
94465 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
94466 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
94467 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
94468 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
94469 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
94470 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
94471 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
94472 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
94473 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
94474 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
94475 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
94476 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
94477 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
94478 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
94479 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
94480 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
94481 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
94482 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
94483 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
94484 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
94485 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
94486 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
94487 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
94488 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
94489 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
94490 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
94491 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
94492 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
94493 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
94494 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
94495 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
94496 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
94497 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
94498 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
94499 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
94500 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
94501 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
94502 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
94503 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
94504 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
94505 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
94506 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
94507 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
94508 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
94509 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
94510 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
94511 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
94512 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
94513 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
94514 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
94515 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
94516 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
94517 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
94518 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
94519 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
94520 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
94521 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
94522 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
94523 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
94524 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
94525 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
94526 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
94527 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
94528 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
94529 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
94530 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
94531 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
94532 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
94533 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
94534 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
94535 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
94536 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
94537 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
94538 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
94539 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
94540 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
94541 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
94542 r1 = r1 + dr
94543 END DO
94544
94545 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
94546 END SUBROUTINE
94547 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_1_exp_1 ( &
94548 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
94549 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
94550 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
94551 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
94552 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
94553 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
94554 r_pow_t, r_tmp, rr1_delta, rr2_delta
94555
94556 REAL(kind=dp) :: c1, c2, c3
94557 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
94558 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
94559 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
94560 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
94561 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
94562 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
94563 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
94564 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
94565 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
94566 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
94567 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
94568 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
94569 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
94570 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
94571
94572 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
94573
94574 dr = lgth
94575 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
94576
94577 s_r(:, :, :) = 0.0_dp
94578
94579 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
94580
94581 h_to_c_0_0 = sqrt(alpha/pi)
94582
94583 h_to_c_0_1 = 0.0_dp
94584 h_to_c_1_1 = +2*alpha*h_to_c_0_0
94585 h_to_c_0_2 = -1*h_to_c_1_1
94586 h_to_c_1_2 = +2*alpha*h_to_c_0_1
94587 h_to_c_2_2 = +2*alpha*h_to_c_1_1
94588 h_to_c_0_3 = -1*h_to_c_1_2
94589 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
94590 h_to_c_2_3 = +2*alpha*h_to_c_1_2
94591 h_to_c_3_3 = +2*alpha*h_to_c_2_2
94592 h_to_c_0_4 = -1*h_to_c_1_3
94593 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
94594 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
94595 h_to_c_3_4 = +2*alpha*h_to_c_2_3
94596 h_to_c_4_4 = +2*alpha*h_to_c_3_3
94597 h_to_c_0_5 = -1*h_to_c_1_4
94598 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
94599 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
94600 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
94601 h_to_c_4_5 = +2*alpha*h_to_c_3_4
94602 h_to_c_5_5 = +2*alpha*h_to_c_4_4
94603 h_to_c_0_6 = -1*h_to_c_1_5
94604 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
94605 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
94606 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
94607 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
94608 h_to_c_5_6 = +2*alpha*h_to_c_4_5
94609 h_to_c_6_6 = +2*alpha*h_to_c_5_5
94610 h_to_c_0_7 = -1*h_to_c_1_6
94611 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
94612 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
94613 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
94614 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
94615 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
94616 h_to_c_6_7 = +2*alpha*h_to_c_5_6
94617 h_to_c_7_7 = +2*alpha*h_to_c_6_6
94618 h_to_c_0_8 = -1*h_to_c_1_7
94619 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
94620 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
94621 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
94622 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
94623 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
94624 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
94625 h_to_c_7_8 = +2*alpha*h_to_c_6_7
94626 h_to_c_8_8 = +2*alpha*h_to_c_7_7
94627
94628 exp_drsq = exp(-alpha*dr*dr)
94629 exp_2drsq = exp_drsq*exp_drsq
94630
94631 rr1_delta = (ra - rb)/dr
94632
94633 rr1_l = ceiling(-r_c(1) + rr1_delta)
94634 rr1_r = floor(r_c(1) + rr1_delta)
94635
94636 r1 = rr1_l*dr
94637
94638 alpha_e = zeta*zetb/(zeta + zetb)
94639
94640 DO rr1 = rr1_l, rr1_r
94641 s_r_t_0 = 0.0_dp
94642 s_r_t2_0 = 0.0_dp
94643 s_r_t_1 = 0.0_dp
94644 s_r_t2_1 = 0.0_dp
94645 s_r_t_2 = 0.0_dp
94646 s_r_t2_2 = 0.0_dp
94647 s_r_t_3 = 0.0_dp
94648 s_r_t2_3 = 0.0_dp
94649 s_r_t_4 = 0.0_dp
94650 s_r_t2_4 = 0.0_dp
94651 s_r_t_5 = 0.0_dp
94652 s_r_t2_5 = 0.0_dp
94653 s_r_t_6 = 0.0_dp
94654 s_r_t2_6 = 0.0_dp
94655 s_r_t_7 = 0.0_dp
94656 s_r_t2_7 = 0.0_dp
94657 s_r_t_8 = 0.0_dp
94658 s_r_t2_8 = 0.0_dp
94659 r_tmp = r_offset + r1*zeta/(zeta + zetb)
94660 rr2_delta = -r_tmp/dr
94661
94662 rr2_l = ceiling(-r_c(2) + rr2_delta)
94663 rr2_r = floor(r_c(2) + rr2_delta)
94664
94665 r = r_tmp + (rr2_l)*dr
94666
94667 exp2_2rdr = exp(-2*alpha*r*dr)
94668 exp2_rsq = exp(-alpha*r*r)
94669
94670 DO rr2 = rr2_l, rr2_r
94671 r_pow_t = 1.0_dp
94672 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
94673 r_pow_t = r_pow_t*r
94674 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
94675 r_pow_t = r_pow_t*r
94676 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
94677 r_pow_t = r_pow_t*r
94678 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
94679 r_pow_t = r_pow_t*r
94680 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
94681 r_pow_t = r_pow_t*r
94682 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
94683 r_pow_t = r_pow_t*r
94684 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
94685 r_pow_t = r_pow_t*r
94686 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
94687 r_pow_t = r_pow_t*r
94688 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
94689
94690 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
94691 exp2_2rdr = exp2_2rdr*exp_2drsq
94692 r = r + dr
94693 END DO
94694
94695 ! C --> H
94696 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
94697 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
94698 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
94699 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
94700 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
94701 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
94702 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
94703 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
94704 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
94705 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
94706 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
94707 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
94708 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
94709 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
94710 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
94711 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
94712 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
94713 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
94714 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
94715 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
94716 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
94717 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
94718 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
94719 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
94720 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
94721 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
94722 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
94723 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
94724 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
94725 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
94726 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
94727 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
94728 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
94729 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
94730 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
94731 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
94732 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
94733 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
94734 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
94735 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
94736 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
94737 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
94738 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
94739 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
94740 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
94741
94742 ! H --> HH
94743 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
94744
94745 c1 = 1.0_dp/(zeta + zetb)
94746 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
94747 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
94748
94749 e_0_1_0 = zeta*( &
94750 +c2*e_0_0_0&
94751
94752 )
94753 e_0_0_1 = zetb*( &
94754 +c3*e_0_0_0&
94755
94756 )
94757 e_1_1_0 = zeta*( c1*e_0_0_0 &
94758
94759
94760 )
94761 e_1_0_1 = zetb*( c1*e_0_0_0 &
94762
94763
94764 )
94765 e_0_2_0 = zeta*( &
94766 +c2*e_0_1_0&
94767 +2*e_1_1_0 &
94768 -2*e_0_0_0)
94769 e_0_1_1 = zetb*( &
94770 +c3*e_0_1_0&
94771 +2*e_1_1_0 &
94772 )
94773 e_1_2_0 = zeta*( c1*e_0_1_0 &
94774 +c2*e_1_1_0&
94775
94776 )
94777 e_1_1_1 = zetb*( c1*e_0_1_0 &
94778 +c3*e_1_1_0&
94779
94780 )
94781 e_2_2_0 = zeta*( c1*e_1_1_0 &
94782
94783
94784 )
94785 e_2_1_1 = zetb*( c1*e_1_1_0 &
94786
94787
94788 )
94789 e_0_3_0 = zeta*( &
94790 +c2*e_0_2_0&
94791 +2*e_1_2_0 &
94792 -4*e_0_1_0)
94793 e_0_2_1 = zetb*( &
94794 +c3*e_0_2_0&
94795 +2*e_1_2_0 &
94796 )
94797 e_1_3_0 = zeta*( c1*e_0_2_0 &
94798 +c2*e_1_2_0&
94799 +4*e_2_2_0 &
94800 -4*e_1_1_0)
94801 e_1_2_1 = zetb*( c1*e_0_2_0 &
94802 +c3*e_1_2_0&
94803 +4*e_2_2_0 &
94804 )
94805 e_2_3_0 = zeta*( c1*e_1_2_0 &
94806 +c2*e_2_2_0&
94807
94808 )
94809 e_2_2_1 = zetb*( c1*e_1_2_0 &
94810 +c3*e_2_2_0&
94811
94812 )
94813 e_3_3_0 = zeta*( c1*e_2_2_0 &
94814
94815
94816 )
94817 e_3_2_1 = zetb*( c1*e_2_2_0 &
94818
94819
94820 )
94821 e_0_3_1 = zetb*( &
94822 +c3*e_0_3_0&
94823 +2*e_1_3_0 &
94824 )
94825 e_1_3_1 = zetb*( c1*e_0_3_0 &
94826 +c3*e_1_3_0&
94827 +4*e_2_3_0 &
94828 )
94829 e_2_3_1 = zetb*( c1*e_1_3_0 &
94830 +c3*e_2_3_0&
94831 +6*e_3_3_0 &
94832 )
94833 e_3_3_1 = zetb*( c1*e_2_3_0 &
94834 +c3*e_3_3_0&
94835
94836 )
94837 e_4_3_1 = zetb*( c1*e_3_3_0 &
94838
94839
94840 )
94841 e_0_1_1 = zeta*( &
94842 +c2*e_0_0_1&
94843 +2*e_1_0_1 &
94844 )
94845 e_0_0_2 = zetb*( &
94846 +c3*e_0_0_1&
94847 +2*e_1_0_1 &
94848 -2*e_0_0_0)
94849 e_1_1_1 = zeta*( c1*e_0_0_1 &
94850 +c2*e_1_0_1&
94851
94852 )
94853 e_1_0_2 = zetb*( c1*e_0_0_1 &
94854 +c3*e_1_0_1&
94855
94856 )
94857 e_2_1_1 = zeta*( c1*e_1_0_1 &
94858
94859
94860 )
94861 e_2_0_2 = zetb*( c1*e_1_0_1 &
94862
94863
94864 )
94865 e_0_2_1 = zeta*( &
94866 +c2*e_0_1_1&
94867 +2*e_1_1_1 &
94868 -2*e_0_0_1)
94869 e_0_1_2 = zetb*( &
94870 +c3*e_0_1_1&
94871 +2*e_1_1_1 &
94872 -2*e_0_1_0)
94873 e_1_2_1 = zeta*( c1*e_0_1_1 &
94874 +c2*e_1_1_1&
94875 +4*e_2_1_1 &
94876 -2*e_1_0_1)
94877 e_1_1_2 = zetb*( c1*e_0_1_1 &
94878 +c3*e_1_1_1&
94879 +4*e_2_1_1 &
94880 -2*e_1_1_0)
94881 e_2_2_1 = zeta*( c1*e_1_1_1 &
94882 +c2*e_2_1_1&
94883
94884 )
94885 e_2_1_2 = zetb*( c1*e_1_1_1 &
94886 +c3*e_2_1_1&
94887
94888 )
94889 e_3_2_1 = zeta*( c1*e_2_1_1 &
94890
94891
94892 )
94893 e_3_1_2 = zetb*( c1*e_2_1_1 &
94894
94895
94896 )
94897 e_0_3_1 = zeta*( &
94898 +c2*e_0_2_1&
94899 +2*e_1_2_1 &
94900 -4*e_0_1_1)
94901 e_0_2_2 = zetb*( &
94902 +c3*e_0_2_1&
94903 +2*e_1_2_1 &
94904 -2*e_0_2_0)
94905 e_1_3_1 = zeta*( c1*e_0_2_1 &
94906 +c2*e_1_2_1&
94907 +4*e_2_2_1 &
94908 -4*e_1_1_1)
94909 e_1_2_2 = zetb*( c1*e_0_2_1 &
94910 +c3*e_1_2_1&
94911 +4*e_2_2_1 &
94912 -2*e_1_2_0)
94913 e_2_3_1 = zeta*( c1*e_1_2_1 &
94914 +c2*e_2_2_1&
94915 +6*e_3_2_1 &
94916 -4*e_2_1_1)
94917 e_2_2_2 = zetb*( c1*e_1_2_1 &
94918 +c3*e_2_2_1&
94919 +6*e_3_2_1 &
94920 -2*e_2_2_0)
94921 e_3_3_1 = zeta*( c1*e_2_2_1 &
94922 +c2*e_3_2_1&
94923
94924 )
94925 e_3_2_2 = zetb*( c1*e_2_2_1 &
94926 +c3*e_3_2_1&
94927
94928 )
94929 e_4_3_1 = zeta*( c1*e_3_2_1 &
94930
94931
94932 )
94933 e_4_2_2 = zetb*( c1*e_3_2_1 &
94934
94935
94936 )
94937 e_0_3_2 = zetb*( &
94938 +c3*e_0_3_1&
94939 +2*e_1_3_1 &
94940 -2*e_0_3_0)
94941 e_1_3_2 = zetb*( c1*e_0_3_1 &
94942 +c3*e_1_3_1&
94943 +4*e_2_3_1 &
94944 -2*e_1_3_0)
94945 e_2_3_2 = zetb*( c1*e_1_3_1 &
94946 +c3*e_2_3_1&
94947 +6*e_3_3_1 &
94948 -2*e_2_3_0)
94949 e_3_3_2 = zetb*( c1*e_2_3_1 &
94950 +c3*e_3_3_1&
94951 +8*e_4_3_1 &
94952 -2*e_3_3_0)
94953 e_4_3_2 = zetb*( c1*e_3_3_1 &
94954 +c3*e_4_3_1&
94955
94956 )
94957 e_5_3_2 = zetb*( c1*e_4_3_1 &
94958
94959
94960 )
94961 e_0_1_2 = zeta*( &
94962 +c2*e_0_0_2&
94963 +2*e_1_0_2 &
94964 )
94965 e_0_0_3 = zetb*( &
94966 +c3*e_0_0_2&
94967 +2*e_1_0_2 &
94968 -4*e_0_0_1)
94969 e_1_1_2 = zeta*( c1*e_0_0_2 &
94970 +c2*e_1_0_2&
94971 +4*e_2_0_2 &
94972 )
94973 e_1_0_3 = zetb*( c1*e_0_0_2 &
94974 +c3*e_1_0_2&
94975 +4*e_2_0_2 &
94976 -4*e_1_0_1)
94977 e_2_1_2 = zeta*( c1*e_1_0_2 &
94978 +c2*e_2_0_2&
94979
94980 )
94981 e_2_0_3 = zetb*( c1*e_1_0_2 &
94982 +c3*e_2_0_2&
94983
94984 )
94985 e_3_1_2 = zeta*( c1*e_2_0_2 &
94986
94987
94988 )
94989 e_3_0_3 = zetb*( c1*e_2_0_2 &
94990
94991
94992 )
94993 e_0_2_2 = zeta*( &
94994 +c2*e_0_1_2&
94995 +2*e_1_1_2 &
94996 -2*e_0_0_2)
94997 e_0_1_3 = zetb*( &
94998 +c3*e_0_1_2&
94999 +2*e_1_1_2 &
95000 -4*e_0_1_1)
95001 e_1_2_2 = zeta*( c1*e_0_1_2 &
95002 +c2*e_1_1_2&
95003 +4*e_2_1_2 &
95004 -2*e_1_0_2)
95005 e_1_1_3 = zetb*( c1*e_0_1_2 &
95006 +c3*e_1_1_2&
95007 +4*e_2_1_2 &
95008 -4*e_1_1_1)
95009 e_2_2_2 = zeta*( c1*e_1_1_2 &
95010 +c2*e_2_1_2&
95011 +6*e_3_1_2 &
95012 -2*e_2_0_2)
95013 e_2_1_3 = zetb*( c1*e_1_1_2 &
95014 +c3*e_2_1_2&
95015 +6*e_3_1_2 &
95016 -4*e_2_1_1)
95017 e_3_2_2 = zeta*( c1*e_2_1_2 &
95018 +c2*e_3_1_2&
95019
95020 )
95021 e_3_1_3 = zetb*( c1*e_2_1_2 &
95022 +c3*e_3_1_2&
95023
95024 )
95025 e_4_2_2 = zeta*( c1*e_3_1_2 &
95026
95027
95028 )
95029 e_4_1_3 = zetb*( c1*e_3_1_2 &
95030
95031
95032 )
95033 e_0_3_2 = zeta*( &
95034 +c2*e_0_2_2&
95035 +2*e_1_2_2 &
95036 -4*e_0_1_2)
95037 e_0_2_3 = zetb*( &
95038 +c3*e_0_2_2&
95039 +2*e_1_2_2 &
95040 -4*e_0_2_1)
95041 e_1_3_2 = zeta*( c1*e_0_2_2 &
95042 +c2*e_1_2_2&
95043 +4*e_2_2_2 &
95044 -4*e_1_1_2)
95045 e_1_2_3 = zetb*( c1*e_0_2_2 &
95046 +c3*e_1_2_2&
95047 +4*e_2_2_2 &
95048 -4*e_1_2_1)
95049 e_2_3_2 = zeta*( c1*e_1_2_2 &
95050 +c2*e_2_2_2&
95051 +6*e_3_2_2 &
95052 -4*e_2_1_2)
95053 e_2_2_3 = zetb*( c1*e_1_2_2 &
95054 +c3*e_2_2_2&
95055 +6*e_3_2_2 &
95056 -4*e_2_2_1)
95057 e_3_3_2 = zeta*( c1*e_2_2_2 &
95058 +c2*e_3_2_2&
95059 +8*e_4_2_2 &
95060 -4*e_3_1_2)
95061 e_3_2_3 = zetb*( c1*e_2_2_2 &
95062 +c3*e_3_2_2&
95063 +8*e_4_2_2 &
95064 -4*e_3_2_1)
95065 e_4_3_2 = zeta*( c1*e_3_2_2 &
95066 +c2*e_4_2_2&
95067
95068 )
95069 e_4_2_3 = zetb*( c1*e_3_2_2 &
95070 +c3*e_4_2_2&
95071
95072 )
95073 e_5_3_2 = zeta*( c1*e_4_2_2 &
95074
95075
95076 )
95077 e_5_2_3 = zetb*( c1*e_4_2_2 &
95078
95079
95080 )
95081 e_0_3_3 = zetb*( &
95082 +c3*e_0_3_2&
95083 +2*e_1_3_2 &
95084 -4*e_0_3_1)
95085 e_1_3_3 = zetb*( c1*e_0_3_2 &
95086 +c3*e_1_3_2&
95087 +4*e_2_3_2 &
95088 -4*e_1_3_1)
95089 e_2_3_3 = zetb*( c1*e_1_3_2 &
95090 +c3*e_2_3_2&
95091 +6*e_3_3_2 &
95092 -4*e_2_3_1)
95093 e_3_3_3 = zetb*( c1*e_2_3_2 &
95094 +c3*e_3_3_2&
95095 +8*e_4_3_2 &
95096 -4*e_3_3_1)
95097 e_4_3_3 = zetb*( c1*e_3_3_2 &
95098 +c3*e_4_3_2&
95099 +10*e_5_3_2 &
95100 -4*e_4_3_1)
95101 e_5_3_3 = zetb*( c1*e_4_3_2 &
95102 +c3*e_5_3_2&
95103
95104 )
95105 e_6_3_3 = zetb*( c1*e_5_3_2 &
95106
95107
95108 )
95109 e_0_1_3 = zeta*( &
95110 +c2*e_0_0_3&
95111 +2*e_1_0_3 &
95112 )
95113 e_0_0_4 = zetb*( &
95114 +c3*e_0_0_3&
95115 +2*e_1_0_3 &
95116 -6*e_0_0_2)
95117 e_1_1_3 = zeta*( c1*e_0_0_3 &
95118 +c2*e_1_0_3&
95119 +4*e_2_0_3 &
95120 )
95121 e_1_0_4 = zetb*( c1*e_0_0_3 &
95122 +c3*e_1_0_3&
95123 +4*e_2_0_3 &
95124 -6*e_1_0_2)
95125 e_2_1_3 = zeta*( c1*e_1_0_3 &
95126 +c2*e_2_0_3&
95127 +6*e_3_0_3 &
95128 )
95129 e_2_0_4 = zetb*( c1*e_1_0_3 &
95130 +c3*e_2_0_3&
95131 +6*e_3_0_3 &
95132 -6*e_2_0_2)
95133 e_3_1_3 = zeta*( c1*e_2_0_3 &
95134 +c2*e_3_0_3&
95135
95136 )
95137 e_3_0_4 = zetb*( c1*e_2_0_3 &
95138 +c3*e_3_0_3&
95139
95140 )
95141 e_4_1_3 = zeta*( c1*e_3_0_3 &
95142
95143
95144 )
95145 e_4_0_4 = zetb*( c1*e_3_0_3 &
95146
95147
95148 )
95149 e_0_2_3 = zeta*( &
95150 +c2*e_0_1_3&
95151 +2*e_1_1_3 &
95152 -2*e_0_0_3)
95153 e_0_1_4 = zetb*( &
95154 +c3*e_0_1_3&
95155 +2*e_1_1_3 &
95156 -6*e_0_1_2)
95157 e_1_2_3 = zeta*( c1*e_0_1_3 &
95158 +c2*e_1_1_3&
95159 +4*e_2_1_3 &
95160 -2*e_1_0_3)
95161 e_1_1_4 = zetb*( c1*e_0_1_3 &
95162 +c3*e_1_1_3&
95163 +4*e_2_1_3 &
95164 -6*e_1_1_2)
95165 e_2_2_3 = zeta*( c1*e_1_1_3 &
95166 +c2*e_2_1_3&
95167 +6*e_3_1_3 &
95168 -2*e_2_0_3)
95169 e_2_1_4 = zetb*( c1*e_1_1_3 &
95170 +c3*e_2_1_3&
95171 +6*e_3_1_3 &
95172 -6*e_2_1_2)
95173 e_3_2_3 = zeta*( c1*e_2_1_3 &
95174 +c2*e_3_1_3&
95175 +8*e_4_1_3 &
95176 -2*e_3_0_3)
95177 e_3_1_4 = zetb*( c1*e_2_1_3 &
95178 +c3*e_3_1_3&
95179 +8*e_4_1_3 &
95180 -6*e_3_1_2)
95181 e_4_2_3 = zeta*( c1*e_3_1_3 &
95182 +c2*e_4_1_3&
95183
95184 )
95185 e_4_1_4 = zetb*( c1*e_3_1_3 &
95186 +c3*e_4_1_3&
95187
95188 )
95189 e_5_2_3 = zeta*( c1*e_4_1_3 &
95190
95191
95192 )
95193 e_5_1_4 = zetb*( c1*e_4_1_3 &
95194
95195
95196 )
95197 e_0_3_3 = zeta*( &
95198 +c2*e_0_2_3&
95199 +2*e_1_2_3 &
95200 -4*e_0_1_3)
95201 e_0_2_4 = zetb*( &
95202 +c3*e_0_2_3&
95203 +2*e_1_2_3 &
95204 -6*e_0_2_2)
95205 e_1_3_3 = zeta*( c1*e_0_2_3 &
95206 +c2*e_1_2_3&
95207 +4*e_2_2_3 &
95208 -4*e_1_1_3)
95209 e_1_2_4 = zetb*( c1*e_0_2_3 &
95210 +c3*e_1_2_3&
95211 +4*e_2_2_3 &
95212 -6*e_1_2_2)
95213 e_2_3_3 = zeta*( c1*e_1_2_3 &
95214 +c2*e_2_2_3&
95215 +6*e_3_2_3 &
95216 -4*e_2_1_3)
95217 e_2_2_4 = zetb*( c1*e_1_2_3 &
95218 +c3*e_2_2_3&
95219 +6*e_3_2_3 &
95220 -6*e_2_2_2)
95221 e_3_3_3 = zeta*( c1*e_2_2_3 &
95222 +c2*e_3_2_3&
95223 +8*e_4_2_3 &
95224 -4*e_3_1_3)
95225 e_3_2_4 = zetb*( c1*e_2_2_3 &
95226 +c3*e_3_2_3&
95227 +8*e_4_2_3 &
95228 -6*e_3_2_2)
95229 e_4_3_3 = zeta*( c1*e_3_2_3 &
95230 +c2*e_4_2_3&
95231 +10*e_5_2_3 &
95232 -4*e_4_1_3)
95233 e_4_2_4 = zetb*( c1*e_3_2_3 &
95234 +c3*e_4_2_3&
95235 +10*e_5_2_3 &
95236 -6*e_4_2_2)
95237 e_5_3_3 = zeta*( c1*e_4_2_3 &
95238 +c2*e_5_2_3&
95239
95240 )
95241 e_5_2_4 = zetb*( c1*e_4_2_3 &
95242 +c3*e_5_2_3&
95243
95244 )
95245 e_6_3_3 = zeta*( c1*e_5_2_3 &
95246
95247
95248 )
95249 e_6_2_4 = zetb*( c1*e_5_2_3 &
95250
95251
95252 )
95253 e_0_3_4 = zetb*( &
95254 +c3*e_0_3_3&
95255 +2*e_1_3_3 &
95256 -6*e_0_3_2)
95257 e_1_3_4 = zetb*( c1*e_0_3_3 &
95258 +c3*e_1_3_3&
95259 +4*e_2_3_3 &
95260 -6*e_1_3_2)
95261 e_2_3_4 = zetb*( c1*e_1_3_3 &
95262 +c3*e_2_3_3&
95263 +6*e_3_3_3 &
95264 -6*e_2_3_2)
95265 e_3_3_4 = zetb*( c1*e_2_3_3 &
95266 +c3*e_3_3_3&
95267 +8*e_4_3_3 &
95268 -6*e_3_3_2)
95269 e_4_3_4 = zetb*( c1*e_3_3_3 &
95270 +c3*e_4_3_3&
95271 +10*e_5_3_3 &
95272 -6*e_4_3_2)
95273 e_5_3_4 = zetb*( c1*e_4_3_3 &
95274 +c3*e_5_3_3&
95275 +12*e_6_3_3 &
95276 -6*e_5_3_2)
95277 e_6_3_4 = zetb*( c1*e_5_3_3 &
95278 +c3*e_6_3_3&
95279
95280 )
95281 e_7_3_4 = zetb*( c1*e_6_3_3 &
95282
95283
95284 )
95285 e_0_1_4 = zeta*( &
95286 +c2*e_0_0_4&
95287 +2*e_1_0_4 &
95288 )
95289 e_1_1_4 = zeta*( c1*e_0_0_4 &
95290 +c2*e_1_0_4&
95291 +4*e_2_0_4 &
95292 )
95293 e_2_1_4 = zeta*( c1*e_1_0_4 &
95294 +c2*e_2_0_4&
95295 +6*e_3_0_4 &
95296 )
95297 e_3_1_4 = zeta*( c1*e_2_0_4 &
95298 +c2*e_3_0_4&
95299 +8*e_4_0_4 &
95300 )
95301 e_4_1_4 = zeta*( c1*e_3_0_4 &
95302 +c2*e_4_0_4&
95303
95304 )
95305 e_5_1_4 = zeta*( c1*e_4_0_4 &
95306
95307
95308 )
95309 e_0_2_4 = zeta*( &
95310 +c2*e_0_1_4&
95311 +2*e_1_1_4 &
95312 -2*e_0_0_4)
95313 e_1_2_4 = zeta*( c1*e_0_1_4 &
95314 +c2*e_1_1_4&
95315 +4*e_2_1_4 &
95316 -2*e_1_0_4)
95317 e_2_2_4 = zeta*( c1*e_1_1_4 &
95318 +c2*e_2_1_4&
95319 +6*e_3_1_4 &
95320 -2*e_2_0_4)
95321 e_3_2_4 = zeta*( c1*e_2_1_4 &
95322 +c2*e_3_1_4&
95323 +8*e_4_1_4 &
95324 -2*e_3_0_4)
95325 e_4_2_4 = zeta*( c1*e_3_1_4 &
95326 +c2*e_4_1_4&
95327 +10*e_5_1_4 &
95328 -2*e_4_0_4)
95329 e_5_2_4 = zeta*( c1*e_4_1_4 &
95330 +c2*e_5_1_4&
95331
95332 )
95333 e_6_2_4 = zeta*( c1*e_5_1_4 &
95334
95335
95336 )
95337 e_0_3_4 = zeta*( &
95338 +c2*e_0_2_4&
95339 +2*e_1_2_4 &
95340 -4*e_0_1_4)
95341 e_1_3_4 = zeta*( c1*e_0_2_4 &
95342 +c2*e_1_2_4&
95343 +4*e_2_2_4 &
95344 -4*e_1_1_4)
95345 e_2_3_4 = zeta*( c1*e_1_2_4 &
95346 +c2*e_2_2_4&
95347 +6*e_3_2_4 &
95348 -4*e_2_1_4)
95349 e_3_3_4 = zeta*( c1*e_2_2_4 &
95350 +c2*e_3_2_4&
95351 +8*e_4_2_4 &
95352 -4*e_3_1_4)
95353 e_4_3_4 = zeta*( c1*e_3_2_4 &
95354 +c2*e_4_2_4&
95355 +10*e_5_2_4 &
95356 -4*e_4_1_4)
95357 e_5_3_4 = zeta*( c1*e_4_2_4 &
95358 +c2*e_5_2_4&
95359 +12*e_6_2_4 &
95360 -4*e_5_1_4)
95361 e_6_3_4 = zeta*( c1*e_5_2_4 &
95362 +c2*e_6_2_4&
95363
95364 )
95365 e_7_3_4 = zeta*( c1*e_6_2_4 &
95366
95367
95368 )
95369
95370 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
95371 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
95372 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
95373 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
95374 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
95375 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
95376 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
95377 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
95378 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
95379 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
95380 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
95381 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
95382 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
95383 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
95384 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
95385 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
95386 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
95387 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
95388 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
95389 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
95390 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
95391 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
95392 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
95393 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
95394 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
95395 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
95396 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
95397 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
95398 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
95399 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
95400 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
95401 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
95402 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
95403 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
95404 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
95405 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
95406 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
95407 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
95408 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
95409 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
95410 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
95411 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
95412 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
95413 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
95414 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
95415 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
95416 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
95417 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
95418 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
95419 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
95420 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
95421 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
95422 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
95423 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
95424 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
95425 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
95426 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
95427 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
95428 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
95429 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
95430 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
95431 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
95432 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
95433 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
95434 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
95435 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
95436 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
95437 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
95438 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
95439 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
95440 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
95441 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
95442 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
95443 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
95444 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
95445 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
95446 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
95447 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
95448 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
95449 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
95450 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
95451 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
95452 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
95453 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
95454 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
95455 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
95456 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
95457 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
95458 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
95459 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
95460 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
95461 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
95462 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
95463 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
95464 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
95465 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
95466 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
95467 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
95468 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
95469 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
95470 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
95471 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
95472 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
95473 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
95474 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
95475 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
95476 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
95477 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
95478 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
95479 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
95480 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
95481 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
95482 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
95483 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
95484 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
95485 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
95486 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
95487 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
95488 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
95489 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
95490 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
95491 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
95492 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
95493 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
95494 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
95495 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
95496 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
95497 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
95498 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
95499 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
95500 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
95501 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
95502 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
95503 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
95504 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
95505 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
95506 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
95507 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
95508 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
95509 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
95510 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
95511 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
95512 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
95513 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
95514 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
95515 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
95516 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
95517 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
95518 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
95519 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
95520 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
95521 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
95522 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
95523 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
95524 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
95525 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
95526 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
95527 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
95528 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
95529 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
95530 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
95531 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
95532 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
95533 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
95534 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
95535 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
95536 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
95537 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
95538 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
95539 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
95540 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
95541 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
95542 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
95543 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
95544 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
95545 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
95546 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
95547 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
95548 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
95549 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
95550 r1 = r1 + dr
95551 END DO
95552
95553 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
95554 END SUBROUTINE
95555 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_2_exp_1 ( &
95556 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
95557 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
95558 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
95559 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
95560 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
95561 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
95562 r_pow_t, r_tmp, rr1_delta, rr2_delta
95563
95564 REAL(kind=dp) :: c1, c2, c3
95565 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
95566 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
95567 & s_r_t2_9
95568 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
95569 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
95570 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
95571 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
95572 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
95573 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
95574 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
95575 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
95576 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
95577 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
95578 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
95579 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
95580 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
95581
95582 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
95583
95584 dr = lgth
95585 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
95586
95587 s_r(:, :, :) = 0.0_dp
95588
95589 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
95590
95591 h_to_c_0_0 = sqrt(alpha/pi)
95592
95593 h_to_c_0_1 = 0.0_dp
95594 h_to_c_1_1 = +2*alpha*h_to_c_0_0
95595 h_to_c_0_2 = -1*h_to_c_1_1
95596 h_to_c_1_2 = +2*alpha*h_to_c_0_1
95597 h_to_c_2_2 = +2*alpha*h_to_c_1_1
95598 h_to_c_0_3 = -1*h_to_c_1_2
95599 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
95600 h_to_c_2_3 = +2*alpha*h_to_c_1_2
95601 h_to_c_3_3 = +2*alpha*h_to_c_2_2
95602 h_to_c_0_4 = -1*h_to_c_1_3
95603 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
95604 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
95605 h_to_c_3_4 = +2*alpha*h_to_c_2_3
95606 h_to_c_4_4 = +2*alpha*h_to_c_3_3
95607 h_to_c_0_5 = -1*h_to_c_1_4
95608 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
95609 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
95610 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
95611 h_to_c_4_5 = +2*alpha*h_to_c_3_4
95612 h_to_c_5_5 = +2*alpha*h_to_c_4_4
95613 h_to_c_0_6 = -1*h_to_c_1_5
95614 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
95615 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
95616 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
95617 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
95618 h_to_c_5_6 = +2*alpha*h_to_c_4_5
95619 h_to_c_6_6 = +2*alpha*h_to_c_5_5
95620 h_to_c_0_7 = -1*h_to_c_1_6
95621 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
95622 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
95623 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
95624 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
95625 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
95626 h_to_c_6_7 = +2*alpha*h_to_c_5_6
95627 h_to_c_7_7 = +2*alpha*h_to_c_6_6
95628 h_to_c_0_8 = -1*h_to_c_1_7
95629 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
95630 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
95631 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
95632 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
95633 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
95634 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
95635 h_to_c_7_8 = +2*alpha*h_to_c_6_7
95636 h_to_c_8_8 = +2*alpha*h_to_c_7_7
95637 h_to_c_0_9 = -1*h_to_c_1_8
95638 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
95639 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
95640 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
95641 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
95642 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
95643 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
95644 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
95645 h_to_c_8_9 = +2*alpha*h_to_c_7_8
95646 h_to_c_9_9 = +2*alpha*h_to_c_8_8
95647
95648 exp_drsq = exp(-alpha*dr*dr)
95649 exp_2drsq = exp_drsq*exp_drsq
95650
95651 rr1_delta = (ra - rb)/dr
95652
95653 rr1_l = ceiling(-r_c(1) + rr1_delta)
95654 rr1_r = floor(r_c(1) + rr1_delta)
95655
95656 r1 = rr1_l*dr
95657
95658 alpha_e = zeta*zetb/(zeta + zetb)
95659
95660 DO rr1 = rr1_l, rr1_r
95661 s_r_t_0 = 0.0_dp
95662 s_r_t2_0 = 0.0_dp
95663 s_r_t_1 = 0.0_dp
95664 s_r_t2_1 = 0.0_dp
95665 s_r_t_2 = 0.0_dp
95666 s_r_t2_2 = 0.0_dp
95667 s_r_t_3 = 0.0_dp
95668 s_r_t2_3 = 0.0_dp
95669 s_r_t_4 = 0.0_dp
95670 s_r_t2_4 = 0.0_dp
95671 s_r_t_5 = 0.0_dp
95672 s_r_t2_5 = 0.0_dp
95673 s_r_t_6 = 0.0_dp
95674 s_r_t2_6 = 0.0_dp
95675 s_r_t_7 = 0.0_dp
95676 s_r_t2_7 = 0.0_dp
95677 s_r_t_8 = 0.0_dp
95678 s_r_t2_8 = 0.0_dp
95679 s_r_t_9 = 0.0_dp
95680 s_r_t2_9 = 0.0_dp
95681 r_tmp = r_offset + r1*zeta/(zeta + zetb)
95682 rr2_delta = -r_tmp/dr
95683
95684 rr2_l = ceiling(-r_c(2) + rr2_delta)
95685 rr2_r = floor(r_c(2) + rr2_delta)
95686
95687 r = r_tmp + (rr2_l)*dr
95688
95689 exp2_2rdr = exp(-2*alpha*r*dr)
95690 exp2_rsq = exp(-alpha*r*r)
95691
95692 DO rr2 = rr2_l, rr2_r
95693 r_pow_t = 1.0_dp
95694 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
95695 r_pow_t = r_pow_t*r
95696 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
95697 r_pow_t = r_pow_t*r
95698 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
95699 r_pow_t = r_pow_t*r
95700 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
95701 r_pow_t = r_pow_t*r
95702 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
95703 r_pow_t = r_pow_t*r
95704 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
95705 r_pow_t = r_pow_t*r
95706 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
95707 r_pow_t = r_pow_t*r
95708 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
95709 r_pow_t = r_pow_t*r
95710 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
95711 r_pow_t = r_pow_t*r
95712 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
95713
95714 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
95715 exp2_2rdr = exp2_2rdr*exp_2drsq
95716 r = r + dr
95717 END DO
95718
95719 ! C --> H
95720 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
95721 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
95722 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
95723 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
95724 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
95725 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
95726 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
95727 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
95728 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
95729 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
95730 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
95731 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
95732 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
95733 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
95734 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
95735 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
95736 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
95737 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
95738 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
95739 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
95740 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
95741 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
95742 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
95743 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
95744 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
95745 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
95746 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
95747 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
95748 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
95749 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
95750 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
95751 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
95752 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
95753 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
95754 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
95755 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
95756 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
95757 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
95758 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
95759 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
95760 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
95761 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
95762 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
95763 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
95764 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
95765 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
95766 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
95767 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
95768 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
95769 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
95770 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
95771 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
95772 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
95773 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
95774 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
95775
95776 ! H --> HH
95777 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
95778
95779 c1 = 1.0_dp/(zeta + zetb)
95780 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
95781 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
95782
95783 e_0_1_0 = zeta*( &
95784 +c2*e_0_0_0&
95785
95786 )
95787 e_0_0_1 = zetb*( &
95788 +c3*e_0_0_0&
95789
95790 )
95791 e_1_1_0 = zeta*( c1*e_0_0_0 &
95792
95793
95794 )
95795 e_1_0_1 = zetb*( c1*e_0_0_0 &
95796
95797
95798 )
95799 e_0_2_0 = zeta*( &
95800 +c2*e_0_1_0&
95801 +2*e_1_1_0 &
95802 -2*e_0_0_0)
95803 e_0_1_1 = zetb*( &
95804 +c3*e_0_1_0&
95805 +2*e_1_1_0 &
95806 )
95807 e_1_2_0 = zeta*( c1*e_0_1_0 &
95808 +c2*e_1_1_0&
95809
95810 )
95811 e_1_1_1 = zetb*( c1*e_0_1_0 &
95812 +c3*e_1_1_0&
95813
95814 )
95815 e_2_2_0 = zeta*( c1*e_1_1_0 &
95816
95817
95818 )
95819 e_2_1_1 = zetb*( c1*e_1_1_0 &
95820
95821
95822 )
95823 e_0_3_0 = zeta*( &
95824 +c2*e_0_2_0&
95825 +2*e_1_2_0 &
95826 -4*e_0_1_0)
95827 e_0_2_1 = zetb*( &
95828 +c3*e_0_2_0&
95829 +2*e_1_2_0 &
95830 )
95831 e_1_3_0 = zeta*( c1*e_0_2_0 &
95832 +c2*e_1_2_0&
95833 +4*e_2_2_0 &
95834 -4*e_1_1_0)
95835 e_1_2_1 = zetb*( c1*e_0_2_0 &
95836 +c3*e_1_2_0&
95837 +4*e_2_2_0 &
95838 )
95839 e_2_3_0 = zeta*( c1*e_1_2_0 &
95840 +c2*e_2_2_0&
95841
95842 )
95843 e_2_2_1 = zetb*( c1*e_1_2_0 &
95844 +c3*e_2_2_0&
95845
95846 )
95847 e_3_3_0 = zeta*( c1*e_2_2_0 &
95848
95849
95850 )
95851 e_3_2_1 = zetb*( c1*e_2_2_0 &
95852
95853
95854 )
95855 e_0_3_1 = zetb*( &
95856 +c3*e_0_3_0&
95857 +2*e_1_3_0 &
95858 )
95859 e_1_3_1 = zetb*( c1*e_0_3_0 &
95860 +c3*e_1_3_0&
95861 +4*e_2_3_0 &
95862 )
95863 e_2_3_1 = zetb*( c1*e_1_3_0 &
95864 +c3*e_2_3_0&
95865 +6*e_3_3_0 &
95866 )
95867 e_3_3_1 = zetb*( c1*e_2_3_0 &
95868 +c3*e_3_3_0&
95869
95870 )
95871 e_4_3_1 = zetb*( c1*e_3_3_0 &
95872
95873
95874 )
95875 e_0_1_1 = zeta*( &
95876 +c2*e_0_0_1&
95877 +2*e_1_0_1 &
95878 )
95879 e_0_0_2 = zetb*( &
95880 +c3*e_0_0_1&
95881 +2*e_1_0_1 &
95882 -2*e_0_0_0)
95883 e_1_1_1 = zeta*( c1*e_0_0_1 &
95884 +c2*e_1_0_1&
95885
95886 )
95887 e_1_0_2 = zetb*( c1*e_0_0_1 &
95888 +c3*e_1_0_1&
95889
95890 )
95891 e_2_1_1 = zeta*( c1*e_1_0_1 &
95892
95893
95894 )
95895 e_2_0_2 = zetb*( c1*e_1_0_1 &
95896
95897
95898 )
95899 e_0_2_1 = zeta*( &
95900 +c2*e_0_1_1&
95901 +2*e_1_1_1 &
95902 -2*e_0_0_1)
95903 e_0_1_2 = zetb*( &
95904 +c3*e_0_1_1&
95905 +2*e_1_1_1 &
95906 -2*e_0_1_0)
95907 e_1_2_1 = zeta*( c1*e_0_1_1 &
95908 +c2*e_1_1_1&
95909 +4*e_2_1_1 &
95910 -2*e_1_0_1)
95911 e_1_1_2 = zetb*( c1*e_0_1_1 &
95912 +c3*e_1_1_1&
95913 +4*e_2_1_1 &
95914 -2*e_1_1_0)
95915 e_2_2_1 = zeta*( c1*e_1_1_1 &
95916 +c2*e_2_1_1&
95917
95918 )
95919 e_2_1_2 = zetb*( c1*e_1_1_1 &
95920 +c3*e_2_1_1&
95921
95922 )
95923 e_3_2_1 = zeta*( c1*e_2_1_1 &
95924
95925
95926 )
95927 e_3_1_2 = zetb*( c1*e_2_1_1 &
95928
95929
95930 )
95931 e_0_3_1 = zeta*( &
95932 +c2*e_0_2_1&
95933 +2*e_1_2_1 &
95934 -4*e_0_1_1)
95935 e_0_2_2 = zetb*( &
95936 +c3*e_0_2_1&
95937 +2*e_1_2_1 &
95938 -2*e_0_2_0)
95939 e_1_3_1 = zeta*( c1*e_0_2_1 &
95940 +c2*e_1_2_1&
95941 +4*e_2_2_1 &
95942 -4*e_1_1_1)
95943 e_1_2_2 = zetb*( c1*e_0_2_1 &
95944 +c3*e_1_2_1&
95945 +4*e_2_2_1 &
95946 -2*e_1_2_0)
95947 e_2_3_1 = zeta*( c1*e_1_2_1 &
95948 +c2*e_2_2_1&
95949 +6*e_3_2_1 &
95950 -4*e_2_1_1)
95951 e_2_2_2 = zetb*( c1*e_1_2_1 &
95952 +c3*e_2_2_1&
95953 +6*e_3_2_1 &
95954 -2*e_2_2_0)
95955 e_3_3_1 = zeta*( c1*e_2_2_1 &
95956 +c2*e_3_2_1&
95957
95958 )
95959 e_3_2_2 = zetb*( c1*e_2_2_1 &
95960 +c3*e_3_2_1&
95961
95962 )
95963 e_4_3_1 = zeta*( c1*e_3_2_1 &
95964
95965
95966 )
95967 e_4_2_2 = zetb*( c1*e_3_2_1 &
95968
95969
95970 )
95971 e_0_3_2 = zetb*( &
95972 +c3*e_0_3_1&
95973 +2*e_1_3_1 &
95974 -2*e_0_3_0)
95975 e_1_3_2 = zetb*( c1*e_0_3_1 &
95976 +c3*e_1_3_1&
95977 +4*e_2_3_1 &
95978 -2*e_1_3_0)
95979 e_2_3_2 = zetb*( c1*e_1_3_1 &
95980 +c3*e_2_3_1&
95981 +6*e_3_3_1 &
95982 -2*e_2_3_0)
95983 e_3_3_2 = zetb*( c1*e_2_3_1 &
95984 +c3*e_3_3_1&
95985 +8*e_4_3_1 &
95986 -2*e_3_3_0)
95987 e_4_3_2 = zetb*( c1*e_3_3_1 &
95988 +c3*e_4_3_1&
95989
95990 )
95991 e_5_3_2 = zetb*( c1*e_4_3_1 &
95992
95993
95994 )
95995 e_0_1_2 = zeta*( &
95996 +c2*e_0_0_2&
95997 +2*e_1_0_2 &
95998 )
95999 e_0_0_3 = zetb*( &
96000 +c3*e_0_0_2&
96001 +2*e_1_0_2 &
96002 -4*e_0_0_1)
96003 e_1_1_2 = zeta*( c1*e_0_0_2 &
96004 +c2*e_1_0_2&
96005 +4*e_2_0_2 &
96006 )
96007 e_1_0_3 = zetb*( c1*e_0_0_2 &
96008 +c3*e_1_0_2&
96009 +4*e_2_0_2 &
96010 -4*e_1_0_1)
96011 e_2_1_2 = zeta*( c1*e_1_0_2 &
96012 +c2*e_2_0_2&
96013
96014 )
96015 e_2_0_3 = zetb*( c1*e_1_0_2 &
96016 +c3*e_2_0_2&
96017
96018 )
96019 e_3_1_2 = zeta*( c1*e_2_0_2 &
96020
96021
96022 )
96023 e_3_0_3 = zetb*( c1*e_2_0_2 &
96024
96025
96026 )
96027 e_0_2_2 = zeta*( &
96028 +c2*e_0_1_2&
96029 +2*e_1_1_2 &
96030 -2*e_0_0_2)
96031 e_0_1_3 = zetb*( &
96032 +c3*e_0_1_2&
96033 +2*e_1_1_2 &
96034 -4*e_0_1_1)
96035 e_1_2_2 = zeta*( c1*e_0_1_2 &
96036 +c2*e_1_1_2&
96037 +4*e_2_1_2 &
96038 -2*e_1_0_2)
96039 e_1_1_3 = zetb*( c1*e_0_1_2 &
96040 +c3*e_1_1_2&
96041 +4*e_2_1_2 &
96042 -4*e_1_1_1)
96043 e_2_2_2 = zeta*( c1*e_1_1_2 &
96044 +c2*e_2_1_2&
96045 +6*e_3_1_2 &
96046 -2*e_2_0_2)
96047 e_2_1_3 = zetb*( c1*e_1_1_2 &
96048 +c3*e_2_1_2&
96049 +6*e_3_1_2 &
96050 -4*e_2_1_1)
96051 e_3_2_2 = zeta*( c1*e_2_1_2 &
96052 +c2*e_3_1_2&
96053
96054 )
96055 e_3_1_3 = zetb*( c1*e_2_1_2 &
96056 +c3*e_3_1_2&
96057
96058 )
96059 e_4_2_2 = zeta*( c1*e_3_1_2 &
96060
96061
96062 )
96063 e_4_1_3 = zetb*( c1*e_3_1_2 &
96064
96065
96066 )
96067 e_0_3_2 = zeta*( &
96068 +c2*e_0_2_2&
96069 +2*e_1_2_2 &
96070 -4*e_0_1_2)
96071 e_0_2_3 = zetb*( &
96072 +c3*e_0_2_2&
96073 +2*e_1_2_2 &
96074 -4*e_0_2_1)
96075 e_1_3_2 = zeta*( c1*e_0_2_2 &
96076 +c2*e_1_2_2&
96077 +4*e_2_2_2 &
96078 -4*e_1_1_2)
96079 e_1_2_3 = zetb*( c1*e_0_2_2 &
96080 +c3*e_1_2_2&
96081 +4*e_2_2_2 &
96082 -4*e_1_2_1)
96083 e_2_3_2 = zeta*( c1*e_1_2_2 &
96084 +c2*e_2_2_2&
96085 +6*e_3_2_2 &
96086 -4*e_2_1_2)
96087 e_2_2_3 = zetb*( c1*e_1_2_2 &
96088 +c3*e_2_2_2&
96089 +6*e_3_2_2 &
96090 -4*e_2_2_1)
96091 e_3_3_2 = zeta*( c1*e_2_2_2 &
96092 +c2*e_3_2_2&
96093 +8*e_4_2_2 &
96094 -4*e_3_1_2)
96095 e_3_2_3 = zetb*( c1*e_2_2_2 &
96096 +c3*e_3_2_2&
96097 +8*e_4_2_2 &
96098 -4*e_3_2_1)
96099 e_4_3_2 = zeta*( c1*e_3_2_2 &
96100 +c2*e_4_2_2&
96101
96102 )
96103 e_4_2_3 = zetb*( c1*e_3_2_2 &
96104 +c3*e_4_2_2&
96105
96106 )
96107 e_5_3_2 = zeta*( c1*e_4_2_2 &
96108
96109
96110 )
96111 e_5_2_3 = zetb*( c1*e_4_2_2 &
96112
96113
96114 )
96115 e_0_3_3 = zetb*( &
96116 +c3*e_0_3_2&
96117 +2*e_1_3_2 &
96118 -4*e_0_3_1)
96119 e_1_3_3 = zetb*( c1*e_0_3_2 &
96120 +c3*e_1_3_2&
96121 +4*e_2_3_2 &
96122 -4*e_1_3_1)
96123 e_2_3_3 = zetb*( c1*e_1_3_2 &
96124 +c3*e_2_3_2&
96125 +6*e_3_3_2 &
96126 -4*e_2_3_1)
96127 e_3_3_3 = zetb*( c1*e_2_3_2 &
96128 +c3*e_3_3_2&
96129 +8*e_4_3_2 &
96130 -4*e_3_3_1)
96131 e_4_3_3 = zetb*( c1*e_3_3_2 &
96132 +c3*e_4_3_2&
96133 +10*e_5_3_2 &
96134 -4*e_4_3_1)
96135 e_5_3_3 = zetb*( c1*e_4_3_2 &
96136 +c3*e_5_3_2&
96137
96138 )
96139 e_6_3_3 = zetb*( c1*e_5_3_2 &
96140
96141
96142 )
96143 e_0_1_3 = zeta*( &
96144 +c2*e_0_0_3&
96145 +2*e_1_0_3 &
96146 )
96147 e_0_0_4 = zetb*( &
96148 +c3*e_0_0_3&
96149 +2*e_1_0_3 &
96150 -6*e_0_0_2)
96151 e_1_1_3 = zeta*( c1*e_0_0_3 &
96152 +c2*e_1_0_3&
96153 +4*e_2_0_3 &
96154 )
96155 e_1_0_4 = zetb*( c1*e_0_0_3 &
96156 +c3*e_1_0_3&
96157 +4*e_2_0_3 &
96158 -6*e_1_0_2)
96159 e_2_1_3 = zeta*( c1*e_1_0_3 &
96160 +c2*e_2_0_3&
96161 +6*e_3_0_3 &
96162 )
96163 e_2_0_4 = zetb*( c1*e_1_0_3 &
96164 +c3*e_2_0_3&
96165 +6*e_3_0_3 &
96166 -6*e_2_0_2)
96167 e_3_1_3 = zeta*( c1*e_2_0_3 &
96168 +c2*e_3_0_3&
96169
96170 )
96171 e_3_0_4 = zetb*( c1*e_2_0_3 &
96172 +c3*e_3_0_3&
96173
96174 )
96175 e_4_1_3 = zeta*( c1*e_3_0_3 &
96176
96177
96178 )
96179 e_4_0_4 = zetb*( c1*e_3_0_3 &
96180
96181
96182 )
96183 e_0_2_3 = zeta*( &
96184 +c2*e_0_1_3&
96185 +2*e_1_1_3 &
96186 -2*e_0_0_3)
96187 e_0_1_4 = zetb*( &
96188 +c3*e_0_1_3&
96189 +2*e_1_1_3 &
96190 -6*e_0_1_2)
96191 e_1_2_3 = zeta*( c1*e_0_1_3 &
96192 +c2*e_1_1_3&
96193 +4*e_2_1_3 &
96194 -2*e_1_0_3)
96195 e_1_1_4 = zetb*( c1*e_0_1_3 &
96196 +c3*e_1_1_3&
96197 +4*e_2_1_3 &
96198 -6*e_1_1_2)
96199 e_2_2_3 = zeta*( c1*e_1_1_3 &
96200 +c2*e_2_1_3&
96201 +6*e_3_1_3 &
96202 -2*e_2_0_3)
96203 e_2_1_4 = zetb*( c1*e_1_1_3 &
96204 +c3*e_2_1_3&
96205 +6*e_3_1_3 &
96206 -6*e_2_1_2)
96207 e_3_2_3 = zeta*( c1*e_2_1_3 &
96208 +c2*e_3_1_3&
96209 +8*e_4_1_3 &
96210 -2*e_3_0_3)
96211 e_3_1_4 = zetb*( c1*e_2_1_3 &
96212 +c3*e_3_1_3&
96213 +8*e_4_1_3 &
96214 -6*e_3_1_2)
96215 e_4_2_3 = zeta*( c1*e_3_1_3 &
96216 +c2*e_4_1_3&
96217
96218 )
96219 e_4_1_4 = zetb*( c1*e_3_1_3 &
96220 +c3*e_4_1_3&
96221
96222 )
96223 e_5_2_3 = zeta*( c1*e_4_1_3 &
96224
96225
96226 )
96227 e_5_1_4 = zetb*( c1*e_4_1_3 &
96228
96229
96230 )
96231 e_0_3_3 = zeta*( &
96232 +c2*e_0_2_3&
96233 +2*e_1_2_3 &
96234 -4*e_0_1_3)
96235 e_0_2_4 = zetb*( &
96236 +c3*e_0_2_3&
96237 +2*e_1_2_3 &
96238 -6*e_0_2_2)
96239 e_1_3_3 = zeta*( c1*e_0_2_3 &
96240 +c2*e_1_2_3&
96241 +4*e_2_2_3 &
96242 -4*e_1_1_3)
96243 e_1_2_4 = zetb*( c1*e_0_2_3 &
96244 +c3*e_1_2_3&
96245 +4*e_2_2_3 &
96246 -6*e_1_2_2)
96247 e_2_3_3 = zeta*( c1*e_1_2_3 &
96248 +c2*e_2_2_3&
96249 +6*e_3_2_3 &
96250 -4*e_2_1_3)
96251 e_2_2_4 = zetb*( c1*e_1_2_3 &
96252 +c3*e_2_2_3&
96253 +6*e_3_2_3 &
96254 -6*e_2_2_2)
96255 e_3_3_3 = zeta*( c1*e_2_2_3 &
96256 +c2*e_3_2_3&
96257 +8*e_4_2_3 &
96258 -4*e_3_1_3)
96259 e_3_2_4 = zetb*( c1*e_2_2_3 &
96260 +c3*e_3_2_3&
96261 +8*e_4_2_3 &
96262 -6*e_3_2_2)
96263 e_4_3_3 = zeta*( c1*e_3_2_3 &
96264 +c2*e_4_2_3&
96265 +10*e_5_2_3 &
96266 -4*e_4_1_3)
96267 e_4_2_4 = zetb*( c1*e_3_2_3 &
96268 +c3*e_4_2_3&
96269 +10*e_5_2_3 &
96270 -6*e_4_2_2)
96271 e_5_3_3 = zeta*( c1*e_4_2_3 &
96272 +c2*e_5_2_3&
96273
96274 )
96275 e_5_2_4 = zetb*( c1*e_4_2_3 &
96276 +c3*e_5_2_3&
96277
96278 )
96279 e_6_3_3 = zeta*( c1*e_5_2_3 &
96280
96281
96282 )
96283 e_6_2_4 = zetb*( c1*e_5_2_3 &
96284
96285
96286 )
96287 e_0_3_4 = zetb*( &
96288 +c3*e_0_3_3&
96289 +2*e_1_3_3 &
96290 -6*e_0_3_2)
96291 e_1_3_4 = zetb*( c1*e_0_3_3 &
96292 +c3*e_1_3_3&
96293 +4*e_2_3_3 &
96294 -6*e_1_3_2)
96295 e_2_3_4 = zetb*( c1*e_1_3_3 &
96296 +c3*e_2_3_3&
96297 +6*e_3_3_3 &
96298 -6*e_2_3_2)
96299 e_3_3_4 = zetb*( c1*e_2_3_3 &
96300 +c3*e_3_3_3&
96301 +8*e_4_3_3 &
96302 -6*e_3_3_2)
96303 e_4_3_4 = zetb*( c1*e_3_3_3 &
96304 +c3*e_4_3_3&
96305 +10*e_5_3_3 &
96306 -6*e_4_3_2)
96307 e_5_3_4 = zetb*( c1*e_4_3_3 &
96308 +c3*e_5_3_3&
96309 +12*e_6_3_3 &
96310 -6*e_5_3_2)
96311 e_6_3_4 = zetb*( c1*e_5_3_3 &
96312 +c3*e_6_3_3&
96313
96314 )
96315 e_7_3_4 = zetb*( c1*e_6_3_3 &
96316
96317
96318 )
96319 e_0_1_4 = zeta*( &
96320 +c2*e_0_0_4&
96321 +2*e_1_0_4 &
96322 )
96323 e_1_1_4 = zeta*( c1*e_0_0_4 &
96324 +c2*e_1_0_4&
96325 +4*e_2_0_4 &
96326 )
96327 e_2_1_4 = zeta*( c1*e_1_0_4 &
96328 +c2*e_2_0_4&
96329 +6*e_3_0_4 &
96330 )
96331 e_3_1_4 = zeta*( c1*e_2_0_4 &
96332 +c2*e_3_0_4&
96333 +8*e_4_0_4 &
96334 )
96335 e_4_1_4 = zeta*( c1*e_3_0_4 &
96336 +c2*e_4_0_4&
96337
96338 )
96339 e_5_1_4 = zeta*( c1*e_4_0_4 &
96340
96341
96342 )
96343 e_0_2_4 = zeta*( &
96344 +c2*e_0_1_4&
96345 +2*e_1_1_4 &
96346 -2*e_0_0_4)
96347 e_1_2_4 = zeta*( c1*e_0_1_4 &
96348 +c2*e_1_1_4&
96349 +4*e_2_1_4 &
96350 -2*e_1_0_4)
96351 e_2_2_4 = zeta*( c1*e_1_1_4 &
96352 +c2*e_2_1_4&
96353 +6*e_3_1_4 &
96354 -2*e_2_0_4)
96355 e_3_2_4 = zeta*( c1*e_2_1_4 &
96356 +c2*e_3_1_4&
96357 +8*e_4_1_4 &
96358 -2*e_3_0_4)
96359 e_4_2_4 = zeta*( c1*e_3_1_4 &
96360 +c2*e_4_1_4&
96361 +10*e_5_1_4 &
96362 -2*e_4_0_4)
96363 e_5_2_4 = zeta*( c1*e_4_1_4 &
96364 +c2*e_5_1_4&
96365
96366 )
96367 e_6_2_4 = zeta*( c1*e_5_1_4 &
96368
96369
96370 )
96371 e_0_3_4 = zeta*( &
96372 +c2*e_0_2_4&
96373 +2*e_1_2_4 &
96374 -4*e_0_1_4)
96375 e_1_3_4 = zeta*( c1*e_0_2_4 &
96376 +c2*e_1_2_4&
96377 +4*e_2_2_4 &
96378 -4*e_1_1_4)
96379 e_2_3_4 = zeta*( c1*e_1_2_4 &
96380 +c2*e_2_2_4&
96381 +6*e_3_2_4 &
96382 -4*e_2_1_4)
96383 e_3_3_4 = zeta*( c1*e_2_2_4 &
96384 +c2*e_3_2_4&
96385 +8*e_4_2_4 &
96386 -4*e_3_1_4)
96387 e_4_3_4 = zeta*( c1*e_3_2_4 &
96388 +c2*e_4_2_4&
96389 +10*e_5_2_4 &
96390 -4*e_4_1_4)
96391 e_5_3_4 = zeta*( c1*e_4_2_4 &
96392 +c2*e_5_2_4&
96393 +12*e_6_2_4 &
96394 -4*e_5_1_4)
96395 e_6_3_4 = zeta*( c1*e_5_2_4 &
96396 +c2*e_6_2_4&
96397
96398 )
96399 e_7_3_4 = zeta*( c1*e_6_2_4 &
96400
96401
96402 )
96403
96404 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
96405 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
96406 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
96407 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
96408 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
96409 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
96410 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
96411 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
96412 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
96413 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
96414 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
96415 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
96416 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
96417 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
96418 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
96419 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
96420 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
96421 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
96422 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
96423 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
96424 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
96425 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
96426 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
96427 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
96428 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
96429 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
96430 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
96431 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
96432 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
96433 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
96434 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
96435 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
96436 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
96437 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
96438 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
96439 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
96440 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
96441 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
96442 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
96443 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
96444 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
96445 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
96446 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
96447 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
96448 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
96449 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
96450 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
96451 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
96452 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
96453 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
96454 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
96455 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
96456 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
96457 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
96458 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
96459 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
96460 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
96461 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
96462 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
96463 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
96464 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
96465 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
96466 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
96467 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
96468 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
96469 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
96470 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
96471 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
96472 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
96473 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
96474 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
96475 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
96476 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
96477 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
96478 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
96479 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
96480 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
96481 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
96482 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
96483 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
96484 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
96485 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
96486 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
96487 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
96488 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
96489 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
96490 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
96491 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
96492 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
96493 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
96494 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
96495 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
96496 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
96497 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
96498 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
96499 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
96500 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
96501 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
96502 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
96503 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
96504 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
96505 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
96506 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
96507 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
96508 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
96509 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
96510 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
96511 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
96512 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
96513 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
96514 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
96515 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
96516 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
96517 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
96518 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
96519 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
96520 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
96521 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
96522 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
96523 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
96524 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
96525 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
96526 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
96527 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
96528 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
96529 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
96530 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
96531 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
96532 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
96533 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
96534 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
96535 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
96536 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
96537 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
96538 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
96539 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
96540 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
96541 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
96542 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
96543 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
96544 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
96545 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
96546 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
96547 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
96548 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
96549 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
96550 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
96551 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
96552 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
96553 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
96554 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
96555 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
96556 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
96557 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
96558 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
96559 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
96560 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
96561 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
96562 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
96563 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
96564 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
96565 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
96566 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
96567 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
96568 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
96569 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
96570 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
96571 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
96572 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
96573 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
96574 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
96575 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
96576 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
96577 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
96578 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
96579 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
96580 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
96581 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
96582 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
96583 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
96584 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
96585 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
96586 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
96587 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
96588 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
96589 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
96590 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
96591 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
96592 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
96593 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
96594 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
96595 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
96596 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
96597 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
96598 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
96599 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
96600 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
96601 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
96602 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
96603 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
96604 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
96605 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
96606 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
96607 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
96608 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
96609 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
96610 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
96611 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
96612 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
96613 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
96614 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
96615 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
96616 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
96617 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
96618 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
96619 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
96620 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
96621 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
96622 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
96623 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
96624 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
96625 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
96626 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
96627 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
96628 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
96629 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
96630 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
96631 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
96632 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
96633 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
96634 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
96635 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
96636 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
96637 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
96638 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
96639 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
96640 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
96641 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
96642 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
96643 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
96644 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
96645 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
96646 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
96647 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
96648 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
96649 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
96650 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
96651 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
96652 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
96653 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
96654 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
96655 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
96656 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
96657 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
96658 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
96659 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
96660 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
96661 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
96662 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
96663 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
96664 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
96665 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
96666 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
96667 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
96668 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
96669 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
96670 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
96671 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
96672 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
96673 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
96674 r1 = r1 + dr
96675 END DO
96676
96677 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
96678 END SUBROUTINE
96679 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_3_exp_1 ( &
96680 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
96681 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
96682 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
96683 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
96684 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
96685 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
96686 r_pow_t, r_tmp, rr1_delta, rr2_delta
96687
96688 REAL(kind=dp) :: c1, c2, c3
96689 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
96690 & s_r_t_10
96691 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
96692 & s_r_t2_9, s_r_t2_10
96693 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
96694 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
96695 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
96696 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
96697 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
96698 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
96699 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
96700 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
96701 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
96702 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
96703 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
96704 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
96705 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
96706 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
96707
96708 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
96709
96710 dr = lgth
96711 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
96712
96713 s_r(:, :, :) = 0.0_dp
96714
96715 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
96716
96717 h_to_c_0_0 = sqrt(alpha/pi)
96718
96719 h_to_c_0_1 = 0.0_dp
96720 h_to_c_1_1 = +2*alpha*h_to_c_0_0
96721 h_to_c_0_2 = -1*h_to_c_1_1
96722 h_to_c_1_2 = +2*alpha*h_to_c_0_1
96723 h_to_c_2_2 = +2*alpha*h_to_c_1_1
96724 h_to_c_0_3 = -1*h_to_c_1_2
96725 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
96726 h_to_c_2_3 = +2*alpha*h_to_c_1_2
96727 h_to_c_3_3 = +2*alpha*h_to_c_2_2
96728 h_to_c_0_4 = -1*h_to_c_1_3
96729 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
96730 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
96731 h_to_c_3_4 = +2*alpha*h_to_c_2_3
96732 h_to_c_4_4 = +2*alpha*h_to_c_3_3
96733 h_to_c_0_5 = -1*h_to_c_1_4
96734 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
96735 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
96736 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
96737 h_to_c_4_5 = +2*alpha*h_to_c_3_4
96738 h_to_c_5_5 = +2*alpha*h_to_c_4_4
96739 h_to_c_0_6 = -1*h_to_c_1_5
96740 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
96741 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
96742 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
96743 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
96744 h_to_c_5_6 = +2*alpha*h_to_c_4_5
96745 h_to_c_6_6 = +2*alpha*h_to_c_5_5
96746 h_to_c_0_7 = -1*h_to_c_1_6
96747 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
96748 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
96749 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
96750 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
96751 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
96752 h_to_c_6_7 = +2*alpha*h_to_c_5_6
96753 h_to_c_7_7 = +2*alpha*h_to_c_6_6
96754 h_to_c_0_8 = -1*h_to_c_1_7
96755 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
96756 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
96757 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
96758 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
96759 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
96760 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
96761 h_to_c_7_8 = +2*alpha*h_to_c_6_7
96762 h_to_c_8_8 = +2*alpha*h_to_c_7_7
96763 h_to_c_0_9 = -1*h_to_c_1_8
96764 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
96765 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
96766 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
96767 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
96768 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
96769 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
96770 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
96771 h_to_c_8_9 = +2*alpha*h_to_c_7_8
96772 h_to_c_9_9 = +2*alpha*h_to_c_8_8
96773 h_to_c_0_10 = -1*h_to_c_1_9
96774 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
96775 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
96776 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
96777 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
96778 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
96779 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
96780 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
96781 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
96782 h_to_c_9_10 = +2*alpha*h_to_c_8_9
96783 h_to_c_10_10 = +2*alpha*h_to_c_9_9
96784
96785 exp_drsq = exp(-alpha*dr*dr)
96786 exp_2drsq = exp_drsq*exp_drsq
96787
96788 rr1_delta = (ra - rb)/dr
96789
96790 rr1_l = ceiling(-r_c(1) + rr1_delta)
96791 rr1_r = floor(r_c(1) + rr1_delta)
96792
96793 r1 = rr1_l*dr
96794
96795 alpha_e = zeta*zetb/(zeta + zetb)
96796
96797 DO rr1 = rr1_l, rr1_r
96798 s_r_t_0 = 0.0_dp
96799 s_r_t2_0 = 0.0_dp
96800 s_r_t_1 = 0.0_dp
96801 s_r_t2_1 = 0.0_dp
96802 s_r_t_2 = 0.0_dp
96803 s_r_t2_2 = 0.0_dp
96804 s_r_t_3 = 0.0_dp
96805 s_r_t2_3 = 0.0_dp
96806 s_r_t_4 = 0.0_dp
96807 s_r_t2_4 = 0.0_dp
96808 s_r_t_5 = 0.0_dp
96809 s_r_t2_5 = 0.0_dp
96810 s_r_t_6 = 0.0_dp
96811 s_r_t2_6 = 0.0_dp
96812 s_r_t_7 = 0.0_dp
96813 s_r_t2_7 = 0.0_dp
96814 s_r_t_8 = 0.0_dp
96815 s_r_t2_8 = 0.0_dp
96816 s_r_t_9 = 0.0_dp
96817 s_r_t2_9 = 0.0_dp
96818 s_r_t_10 = 0.0_dp
96819 s_r_t2_10 = 0.0_dp
96820 r_tmp = r_offset + r1*zeta/(zeta + zetb)
96821 rr2_delta = -r_tmp/dr
96822
96823 rr2_l = ceiling(-r_c(2) + rr2_delta)
96824 rr2_r = floor(r_c(2) + rr2_delta)
96825
96826 r = r_tmp + (rr2_l)*dr
96827
96828 exp2_2rdr = exp(-2*alpha*r*dr)
96829 exp2_rsq = exp(-alpha*r*r)
96830
96831 DO rr2 = rr2_l, rr2_r
96832 r_pow_t = 1.0_dp
96833 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
96834 r_pow_t = r_pow_t*r
96835 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
96836 r_pow_t = r_pow_t*r
96837 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
96838 r_pow_t = r_pow_t*r
96839 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
96840 r_pow_t = r_pow_t*r
96841 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
96842 r_pow_t = r_pow_t*r
96843 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
96844 r_pow_t = r_pow_t*r
96845 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
96846 r_pow_t = r_pow_t*r
96847 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
96848 r_pow_t = r_pow_t*r
96849 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
96850 r_pow_t = r_pow_t*r
96851 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
96852 r_pow_t = r_pow_t*r
96853 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
96854
96855 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
96856 exp2_2rdr = exp2_2rdr*exp_2drsq
96857 r = r + dr
96858 END DO
96859
96860 ! C --> H
96861 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
96862 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
96863 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
96864 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
96865 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
96866 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
96867 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
96868 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
96869 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
96870 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
96871 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
96872 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
96873 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
96874 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
96875 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
96876 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
96877 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
96878 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
96879 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
96880 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
96881 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
96882 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
96883 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
96884 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
96885 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
96886 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
96887 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
96888 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
96889 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
96890 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
96891 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
96892 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
96893 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
96894 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
96895 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
96896 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
96897 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
96898 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
96899 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
96900 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
96901 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
96902 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
96903 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
96904 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
96905 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
96906 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
96907 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
96908 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
96909 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
96910 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
96911 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
96912 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
96913 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
96914 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
96915 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
96916 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
96917 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
96918 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
96919 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
96920 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
96921 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
96922 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
96923 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
96924 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
96925 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
96926 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
96927
96928 ! H --> HH
96929 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
96930
96931 c1 = 1.0_dp/(zeta + zetb)
96932 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
96933 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
96934
96935 e_0_1_0 = zeta*( &
96936 +c2*e_0_0_0&
96937
96938 )
96939 e_0_0_1 = zetb*( &
96940 +c3*e_0_0_0&
96941
96942 )
96943 e_1_1_0 = zeta*( c1*e_0_0_0 &
96944
96945
96946 )
96947 e_1_0_1 = zetb*( c1*e_0_0_0 &
96948
96949
96950 )
96951 e_0_2_0 = zeta*( &
96952 +c2*e_0_1_0&
96953 +2*e_1_1_0 &
96954 -2*e_0_0_0)
96955 e_0_1_1 = zetb*( &
96956 +c3*e_0_1_0&
96957 +2*e_1_1_0 &
96958 )
96959 e_1_2_0 = zeta*( c1*e_0_1_0 &
96960 +c2*e_1_1_0&
96961
96962 )
96963 e_1_1_1 = zetb*( c1*e_0_1_0 &
96964 +c3*e_1_1_0&
96965
96966 )
96967 e_2_2_0 = zeta*( c1*e_1_1_0 &
96968
96969
96970 )
96971 e_2_1_1 = zetb*( c1*e_1_1_0 &
96972
96973
96974 )
96975 e_0_3_0 = zeta*( &
96976 +c2*e_0_2_0&
96977 +2*e_1_2_0 &
96978 -4*e_0_1_0)
96979 e_0_2_1 = zetb*( &
96980 +c3*e_0_2_0&
96981 +2*e_1_2_0 &
96982 )
96983 e_1_3_0 = zeta*( c1*e_0_2_0 &
96984 +c2*e_1_2_0&
96985 +4*e_2_2_0 &
96986 -4*e_1_1_0)
96987 e_1_2_1 = zetb*( c1*e_0_2_0 &
96988 +c3*e_1_2_0&
96989 +4*e_2_2_0 &
96990 )
96991 e_2_3_0 = zeta*( c1*e_1_2_0 &
96992 +c2*e_2_2_0&
96993
96994 )
96995 e_2_2_1 = zetb*( c1*e_1_2_0 &
96996 +c3*e_2_2_0&
96997
96998 )
96999 e_3_3_0 = zeta*( c1*e_2_2_0 &
97000
97001
97002 )
97003 e_3_2_1 = zetb*( c1*e_2_2_0 &
97004
97005
97006 )
97007 e_0_3_1 = zetb*( &
97008 +c3*e_0_3_0&
97009 +2*e_1_3_0 &
97010 )
97011 e_1_3_1 = zetb*( c1*e_0_3_0 &
97012 +c3*e_1_3_0&
97013 +4*e_2_3_0 &
97014 )
97015 e_2_3_1 = zetb*( c1*e_1_3_0 &
97016 +c3*e_2_3_0&
97017 +6*e_3_3_0 &
97018 )
97019 e_3_3_1 = zetb*( c1*e_2_3_0 &
97020 +c3*e_3_3_0&
97021
97022 )
97023 e_4_3_1 = zetb*( c1*e_3_3_0 &
97024
97025
97026 )
97027 e_0_1_1 = zeta*( &
97028 +c2*e_0_0_1&
97029 +2*e_1_0_1 &
97030 )
97031 e_0_0_2 = zetb*( &
97032 +c3*e_0_0_1&
97033 +2*e_1_0_1 &
97034 -2*e_0_0_0)
97035 e_1_1_1 = zeta*( c1*e_0_0_1 &
97036 +c2*e_1_0_1&
97037
97038 )
97039 e_1_0_2 = zetb*( c1*e_0_0_1 &
97040 +c3*e_1_0_1&
97041
97042 )
97043 e_2_1_1 = zeta*( c1*e_1_0_1 &
97044
97045
97046 )
97047 e_2_0_2 = zetb*( c1*e_1_0_1 &
97048
97049
97050 )
97051 e_0_2_1 = zeta*( &
97052 +c2*e_0_1_1&
97053 +2*e_1_1_1 &
97054 -2*e_0_0_1)
97055 e_0_1_2 = zetb*( &
97056 +c3*e_0_1_1&
97057 +2*e_1_1_1 &
97058 -2*e_0_1_0)
97059 e_1_2_1 = zeta*( c1*e_0_1_1 &
97060 +c2*e_1_1_1&
97061 +4*e_2_1_1 &
97062 -2*e_1_0_1)
97063 e_1_1_2 = zetb*( c1*e_0_1_1 &
97064 +c3*e_1_1_1&
97065 +4*e_2_1_1 &
97066 -2*e_1_1_0)
97067 e_2_2_1 = zeta*( c1*e_1_1_1 &
97068 +c2*e_2_1_1&
97069
97070 )
97071 e_2_1_2 = zetb*( c1*e_1_1_1 &
97072 +c3*e_2_1_1&
97073
97074 )
97075 e_3_2_1 = zeta*( c1*e_2_1_1 &
97076
97077
97078 )
97079 e_3_1_2 = zetb*( c1*e_2_1_1 &
97080
97081
97082 )
97083 e_0_3_1 = zeta*( &
97084 +c2*e_0_2_1&
97085 +2*e_1_2_1 &
97086 -4*e_0_1_1)
97087 e_0_2_2 = zetb*( &
97088 +c3*e_0_2_1&
97089 +2*e_1_2_1 &
97090 -2*e_0_2_0)
97091 e_1_3_1 = zeta*( c1*e_0_2_1 &
97092 +c2*e_1_2_1&
97093 +4*e_2_2_1 &
97094 -4*e_1_1_1)
97095 e_1_2_2 = zetb*( c1*e_0_2_1 &
97096 +c3*e_1_2_1&
97097 +4*e_2_2_1 &
97098 -2*e_1_2_0)
97099 e_2_3_1 = zeta*( c1*e_1_2_1 &
97100 +c2*e_2_2_1&
97101 +6*e_3_2_1 &
97102 -4*e_2_1_1)
97103 e_2_2_2 = zetb*( c1*e_1_2_1 &
97104 +c3*e_2_2_1&
97105 +6*e_3_2_1 &
97106 -2*e_2_2_0)
97107 e_3_3_1 = zeta*( c1*e_2_2_1 &
97108 +c2*e_3_2_1&
97109
97110 )
97111 e_3_2_2 = zetb*( c1*e_2_2_1 &
97112 +c3*e_3_2_1&
97113
97114 )
97115 e_4_3_1 = zeta*( c1*e_3_2_1 &
97116
97117
97118 )
97119 e_4_2_2 = zetb*( c1*e_3_2_1 &
97120
97121
97122 )
97123 e_0_3_2 = zetb*( &
97124 +c3*e_0_3_1&
97125 +2*e_1_3_1 &
97126 -2*e_0_3_0)
97127 e_1_3_2 = zetb*( c1*e_0_3_1 &
97128 +c3*e_1_3_1&
97129 +4*e_2_3_1 &
97130 -2*e_1_3_0)
97131 e_2_3_2 = zetb*( c1*e_1_3_1 &
97132 +c3*e_2_3_1&
97133 +6*e_3_3_1 &
97134 -2*e_2_3_0)
97135 e_3_3_2 = zetb*( c1*e_2_3_1 &
97136 +c3*e_3_3_1&
97137 +8*e_4_3_1 &
97138 -2*e_3_3_0)
97139 e_4_3_2 = zetb*( c1*e_3_3_1 &
97140 +c3*e_4_3_1&
97141
97142 )
97143 e_5_3_2 = zetb*( c1*e_4_3_1 &
97144
97145
97146 )
97147 e_0_1_2 = zeta*( &
97148 +c2*e_0_0_2&
97149 +2*e_1_0_2 &
97150 )
97151 e_0_0_3 = zetb*( &
97152 +c3*e_0_0_2&
97153 +2*e_1_0_2 &
97154 -4*e_0_0_1)
97155 e_1_1_2 = zeta*( c1*e_0_0_2 &
97156 +c2*e_1_0_2&
97157 +4*e_2_0_2 &
97158 )
97159 e_1_0_3 = zetb*( c1*e_0_0_2 &
97160 +c3*e_1_0_2&
97161 +4*e_2_0_2 &
97162 -4*e_1_0_1)
97163 e_2_1_2 = zeta*( c1*e_1_0_2 &
97164 +c2*e_2_0_2&
97165
97166 )
97167 e_2_0_3 = zetb*( c1*e_1_0_2 &
97168 +c3*e_2_0_2&
97169
97170 )
97171 e_3_1_2 = zeta*( c1*e_2_0_2 &
97172
97173
97174 )
97175 e_3_0_3 = zetb*( c1*e_2_0_2 &
97176
97177
97178 )
97179 e_0_2_2 = zeta*( &
97180 +c2*e_0_1_2&
97181 +2*e_1_1_2 &
97182 -2*e_0_0_2)
97183 e_0_1_3 = zetb*( &
97184 +c3*e_0_1_2&
97185 +2*e_1_1_2 &
97186 -4*e_0_1_1)
97187 e_1_2_2 = zeta*( c1*e_0_1_2 &
97188 +c2*e_1_1_2&
97189 +4*e_2_1_2 &
97190 -2*e_1_0_2)
97191 e_1_1_3 = zetb*( c1*e_0_1_2 &
97192 +c3*e_1_1_2&
97193 +4*e_2_1_2 &
97194 -4*e_1_1_1)
97195 e_2_2_2 = zeta*( c1*e_1_1_2 &
97196 +c2*e_2_1_2&
97197 +6*e_3_1_2 &
97198 -2*e_2_0_2)
97199 e_2_1_3 = zetb*( c1*e_1_1_2 &
97200 +c3*e_2_1_2&
97201 +6*e_3_1_2 &
97202 -4*e_2_1_1)
97203 e_3_2_2 = zeta*( c1*e_2_1_2 &
97204 +c2*e_3_1_2&
97205
97206 )
97207 e_3_1_3 = zetb*( c1*e_2_1_2 &
97208 +c3*e_3_1_2&
97209
97210 )
97211 e_4_2_2 = zeta*( c1*e_3_1_2 &
97212
97213
97214 )
97215 e_4_1_3 = zetb*( c1*e_3_1_2 &
97216
97217
97218 )
97219 e_0_3_2 = zeta*( &
97220 +c2*e_0_2_2&
97221 +2*e_1_2_2 &
97222 -4*e_0_1_2)
97223 e_0_2_3 = zetb*( &
97224 +c3*e_0_2_2&
97225 +2*e_1_2_2 &
97226 -4*e_0_2_1)
97227 e_1_3_2 = zeta*( c1*e_0_2_2 &
97228 +c2*e_1_2_2&
97229 +4*e_2_2_2 &
97230 -4*e_1_1_2)
97231 e_1_2_3 = zetb*( c1*e_0_2_2 &
97232 +c3*e_1_2_2&
97233 +4*e_2_2_2 &
97234 -4*e_1_2_1)
97235 e_2_3_2 = zeta*( c1*e_1_2_2 &
97236 +c2*e_2_2_2&
97237 +6*e_3_2_2 &
97238 -4*e_2_1_2)
97239 e_2_2_3 = zetb*( c1*e_1_2_2 &
97240 +c3*e_2_2_2&
97241 +6*e_3_2_2 &
97242 -4*e_2_2_1)
97243 e_3_3_2 = zeta*( c1*e_2_2_2 &
97244 +c2*e_3_2_2&
97245 +8*e_4_2_2 &
97246 -4*e_3_1_2)
97247 e_3_2_3 = zetb*( c1*e_2_2_2 &
97248 +c3*e_3_2_2&
97249 +8*e_4_2_2 &
97250 -4*e_3_2_1)
97251 e_4_3_2 = zeta*( c1*e_3_2_2 &
97252 +c2*e_4_2_2&
97253
97254 )
97255 e_4_2_3 = zetb*( c1*e_3_2_2 &
97256 +c3*e_4_2_2&
97257
97258 )
97259 e_5_3_2 = zeta*( c1*e_4_2_2 &
97260
97261
97262 )
97263 e_5_2_3 = zetb*( c1*e_4_2_2 &
97264
97265
97266 )
97267 e_0_3_3 = zetb*( &
97268 +c3*e_0_3_2&
97269 +2*e_1_3_2 &
97270 -4*e_0_3_1)
97271 e_1_3_3 = zetb*( c1*e_0_3_2 &
97272 +c3*e_1_3_2&
97273 +4*e_2_3_2 &
97274 -4*e_1_3_1)
97275 e_2_3_3 = zetb*( c1*e_1_3_2 &
97276 +c3*e_2_3_2&
97277 +6*e_3_3_2 &
97278 -4*e_2_3_1)
97279 e_3_3_3 = zetb*( c1*e_2_3_2 &
97280 +c3*e_3_3_2&
97281 +8*e_4_3_2 &
97282 -4*e_3_3_1)
97283 e_4_3_3 = zetb*( c1*e_3_3_2 &
97284 +c3*e_4_3_2&
97285 +10*e_5_3_2 &
97286 -4*e_4_3_1)
97287 e_5_3_3 = zetb*( c1*e_4_3_2 &
97288 +c3*e_5_3_2&
97289
97290 )
97291 e_6_3_3 = zetb*( c1*e_5_3_2 &
97292
97293
97294 )
97295 e_0_1_3 = zeta*( &
97296 +c2*e_0_0_3&
97297 +2*e_1_0_3 &
97298 )
97299 e_0_0_4 = zetb*( &
97300 +c3*e_0_0_3&
97301 +2*e_1_0_3 &
97302 -6*e_0_0_2)
97303 e_1_1_3 = zeta*( c1*e_0_0_3 &
97304 +c2*e_1_0_3&
97305 +4*e_2_0_3 &
97306 )
97307 e_1_0_4 = zetb*( c1*e_0_0_3 &
97308 +c3*e_1_0_3&
97309 +4*e_2_0_3 &
97310 -6*e_1_0_2)
97311 e_2_1_3 = zeta*( c1*e_1_0_3 &
97312 +c2*e_2_0_3&
97313 +6*e_3_0_3 &
97314 )
97315 e_2_0_4 = zetb*( c1*e_1_0_3 &
97316 +c3*e_2_0_3&
97317 +6*e_3_0_3 &
97318 -6*e_2_0_2)
97319 e_3_1_3 = zeta*( c1*e_2_0_3 &
97320 +c2*e_3_0_3&
97321
97322 )
97323 e_3_0_4 = zetb*( c1*e_2_0_3 &
97324 +c3*e_3_0_3&
97325
97326 )
97327 e_4_1_3 = zeta*( c1*e_3_0_3 &
97328
97329
97330 )
97331 e_4_0_4 = zetb*( c1*e_3_0_3 &
97332
97333
97334 )
97335 e_0_2_3 = zeta*( &
97336 +c2*e_0_1_3&
97337 +2*e_1_1_3 &
97338 -2*e_0_0_3)
97339 e_0_1_4 = zetb*( &
97340 +c3*e_0_1_3&
97341 +2*e_1_1_3 &
97342 -6*e_0_1_2)
97343 e_1_2_3 = zeta*( c1*e_0_1_3 &
97344 +c2*e_1_1_3&
97345 +4*e_2_1_3 &
97346 -2*e_1_0_3)
97347 e_1_1_4 = zetb*( c1*e_0_1_3 &
97348 +c3*e_1_1_3&
97349 +4*e_2_1_3 &
97350 -6*e_1_1_2)
97351 e_2_2_3 = zeta*( c1*e_1_1_3 &
97352 +c2*e_2_1_3&
97353 +6*e_3_1_3 &
97354 -2*e_2_0_3)
97355 e_2_1_4 = zetb*( c1*e_1_1_3 &
97356 +c3*e_2_1_3&
97357 +6*e_3_1_3 &
97358 -6*e_2_1_2)
97359 e_3_2_3 = zeta*( c1*e_2_1_3 &
97360 +c2*e_3_1_3&
97361 +8*e_4_1_3 &
97362 -2*e_3_0_3)
97363 e_3_1_4 = zetb*( c1*e_2_1_3 &
97364 +c3*e_3_1_3&
97365 +8*e_4_1_3 &
97366 -6*e_3_1_2)
97367 e_4_2_3 = zeta*( c1*e_3_1_3 &
97368 +c2*e_4_1_3&
97369
97370 )
97371 e_4_1_4 = zetb*( c1*e_3_1_3 &
97372 +c3*e_4_1_3&
97373
97374 )
97375 e_5_2_3 = zeta*( c1*e_4_1_3 &
97376
97377
97378 )
97379 e_5_1_4 = zetb*( c1*e_4_1_3 &
97380
97381
97382 )
97383 e_0_3_3 = zeta*( &
97384 +c2*e_0_2_3&
97385 +2*e_1_2_3 &
97386 -4*e_0_1_3)
97387 e_0_2_4 = zetb*( &
97388 +c3*e_0_2_3&
97389 +2*e_1_2_3 &
97390 -6*e_0_2_2)
97391 e_1_3_3 = zeta*( c1*e_0_2_3 &
97392 +c2*e_1_2_3&
97393 +4*e_2_2_3 &
97394 -4*e_1_1_3)
97395 e_1_2_4 = zetb*( c1*e_0_2_3 &
97396 +c3*e_1_2_3&
97397 +4*e_2_2_3 &
97398 -6*e_1_2_2)
97399 e_2_3_3 = zeta*( c1*e_1_2_3 &
97400 +c2*e_2_2_3&
97401 +6*e_3_2_3 &
97402 -4*e_2_1_3)
97403 e_2_2_4 = zetb*( c1*e_1_2_3 &
97404 +c3*e_2_2_3&
97405 +6*e_3_2_3 &
97406 -6*e_2_2_2)
97407 e_3_3_3 = zeta*( c1*e_2_2_3 &
97408 +c2*e_3_2_3&
97409 +8*e_4_2_3 &
97410 -4*e_3_1_3)
97411 e_3_2_4 = zetb*( c1*e_2_2_3 &
97412 +c3*e_3_2_3&
97413 +8*e_4_2_3 &
97414 -6*e_3_2_2)
97415 e_4_3_3 = zeta*( c1*e_3_2_3 &
97416 +c2*e_4_2_3&
97417 +10*e_5_2_3 &
97418 -4*e_4_1_3)
97419 e_4_2_4 = zetb*( c1*e_3_2_3 &
97420 +c3*e_4_2_3&
97421 +10*e_5_2_3 &
97422 -6*e_4_2_2)
97423 e_5_3_3 = zeta*( c1*e_4_2_3 &
97424 +c2*e_5_2_3&
97425
97426 )
97427 e_5_2_4 = zetb*( c1*e_4_2_3 &
97428 +c3*e_5_2_3&
97429
97430 )
97431 e_6_3_3 = zeta*( c1*e_5_2_3 &
97432
97433
97434 )
97435 e_6_2_4 = zetb*( c1*e_5_2_3 &
97436
97437
97438 )
97439 e_0_3_4 = zetb*( &
97440 +c3*e_0_3_3&
97441 +2*e_1_3_3 &
97442 -6*e_0_3_2)
97443 e_1_3_4 = zetb*( c1*e_0_3_3 &
97444 +c3*e_1_3_3&
97445 +4*e_2_3_3 &
97446 -6*e_1_3_2)
97447 e_2_3_4 = zetb*( c1*e_1_3_3 &
97448 +c3*e_2_3_3&
97449 +6*e_3_3_3 &
97450 -6*e_2_3_2)
97451 e_3_3_4 = zetb*( c1*e_2_3_3 &
97452 +c3*e_3_3_3&
97453 +8*e_4_3_3 &
97454 -6*e_3_3_2)
97455 e_4_3_4 = zetb*( c1*e_3_3_3 &
97456 +c3*e_4_3_3&
97457 +10*e_5_3_3 &
97458 -6*e_4_3_2)
97459 e_5_3_4 = zetb*( c1*e_4_3_3 &
97460 +c3*e_5_3_3&
97461 +12*e_6_3_3 &
97462 -6*e_5_3_2)
97463 e_6_3_4 = zetb*( c1*e_5_3_3 &
97464 +c3*e_6_3_3&
97465
97466 )
97467 e_7_3_4 = zetb*( c1*e_6_3_3 &
97468
97469
97470 )
97471 e_0_1_4 = zeta*( &
97472 +c2*e_0_0_4&
97473 +2*e_1_0_4 &
97474 )
97475 e_1_1_4 = zeta*( c1*e_0_0_4 &
97476 +c2*e_1_0_4&
97477 +4*e_2_0_4 &
97478 )
97479 e_2_1_4 = zeta*( c1*e_1_0_4 &
97480 +c2*e_2_0_4&
97481 +6*e_3_0_4 &
97482 )
97483 e_3_1_4 = zeta*( c1*e_2_0_4 &
97484 +c2*e_3_0_4&
97485 +8*e_4_0_4 &
97486 )
97487 e_4_1_4 = zeta*( c1*e_3_0_4 &
97488 +c2*e_4_0_4&
97489
97490 )
97491 e_5_1_4 = zeta*( c1*e_4_0_4 &
97492
97493
97494 )
97495 e_0_2_4 = zeta*( &
97496 +c2*e_0_1_4&
97497 +2*e_1_1_4 &
97498 -2*e_0_0_4)
97499 e_1_2_4 = zeta*( c1*e_0_1_4 &
97500 +c2*e_1_1_4&
97501 +4*e_2_1_4 &
97502 -2*e_1_0_4)
97503 e_2_2_4 = zeta*( c1*e_1_1_4 &
97504 +c2*e_2_1_4&
97505 +6*e_3_1_4 &
97506 -2*e_2_0_4)
97507 e_3_2_4 = zeta*( c1*e_2_1_4 &
97508 +c2*e_3_1_4&
97509 +8*e_4_1_4 &
97510 -2*e_3_0_4)
97511 e_4_2_4 = zeta*( c1*e_3_1_4 &
97512 +c2*e_4_1_4&
97513 +10*e_5_1_4 &
97514 -2*e_4_0_4)
97515 e_5_2_4 = zeta*( c1*e_4_1_4 &
97516 +c2*e_5_1_4&
97517
97518 )
97519 e_6_2_4 = zeta*( c1*e_5_1_4 &
97520
97521
97522 )
97523 e_0_3_4 = zeta*( &
97524 +c2*e_0_2_4&
97525 +2*e_1_2_4 &
97526 -4*e_0_1_4)
97527 e_1_3_4 = zeta*( c1*e_0_2_4 &
97528 +c2*e_1_2_4&
97529 +4*e_2_2_4 &
97530 -4*e_1_1_4)
97531 e_2_3_4 = zeta*( c1*e_1_2_4 &
97532 +c2*e_2_2_4&
97533 +6*e_3_2_4 &
97534 -4*e_2_1_4)
97535 e_3_3_4 = zeta*( c1*e_2_2_4 &
97536 +c2*e_3_2_4&
97537 +8*e_4_2_4 &
97538 -4*e_3_1_4)
97539 e_4_3_4 = zeta*( c1*e_3_2_4 &
97540 +c2*e_4_2_4&
97541 +10*e_5_2_4 &
97542 -4*e_4_1_4)
97543 e_5_3_4 = zeta*( c1*e_4_2_4 &
97544 +c2*e_5_2_4&
97545 +12*e_6_2_4 &
97546 -4*e_5_1_4)
97547 e_6_3_4 = zeta*( c1*e_5_2_4 &
97548 +c2*e_6_2_4&
97549
97550 )
97551 e_7_3_4 = zeta*( c1*e_6_2_4 &
97552
97553
97554 )
97555
97556 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
97557 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
97558 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
97559 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
97560 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
97561 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
97562 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
97563 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
97564 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
97565 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
97566 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
97567 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
97568 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
97569 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
97570 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
97571 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
97572 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
97573 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
97574 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
97575 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
97576 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
97577 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
97578 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
97579 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
97580 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
97581 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
97582 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
97583 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
97584 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
97585 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
97586 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
97587 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
97588 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
97589 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
97590 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
97591 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
97592 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
97593 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
97594 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
97595 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
97596 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
97597 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
97598 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
97599 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
97600 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
97601 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
97602 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
97603 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
97604 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
97605 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
97606 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
97607 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
97608 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
97609 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
97610 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
97611 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
97612 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
97613 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
97614 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
97615 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
97616 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
97617 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
97618 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
97619 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
97620 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
97621 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
97622 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
97623 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
97624 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
97625 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
97626 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
97627 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
97628 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
97629 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
97630 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
97631 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
97632 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
97633 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
97634 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
97635 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
97636 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
97637 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
97638 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
97639 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
97640 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
97641 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
97642 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
97643 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
97644 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
97645 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
97646 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
97647 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
97648 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
97649 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
97650 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
97651 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
97652 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
97653 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
97654 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
97655 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
97656 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
97657 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
97658 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
97659 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
97660 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
97661 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
97662 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
97663 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
97664 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
97665 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
97666 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
97667 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
97668 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
97669 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
97670 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
97671 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
97672 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
97673 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
97674 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
97675 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
97676 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
97677 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
97678 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
97679 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
97680 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
97681 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
97682 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
97683 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
97684 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
97685 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
97686 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
97687 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
97688 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
97689 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
97690 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
97691 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
97692 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
97693 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
97694 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
97695 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
97696 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
97697 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
97698 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
97699 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
97700 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
97701 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
97702 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
97703 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
97704 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
97705 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
97706 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
97707 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
97708 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
97709 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
97710 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
97711 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
97712 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
97713 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
97714 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
97715 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
97716 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
97717 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
97718 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
97719 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
97720 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
97721 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
97722 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
97723 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
97724 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
97725 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
97726 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
97727 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
97728 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
97729 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
97730 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
97731 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
97732 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
97733 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
97734 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
97735 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
97736 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
97737 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
97738 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
97739 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
97740 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
97741 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
97742 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
97743 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
97744 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
97745 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
97746 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
97747 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
97748 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
97749 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
97750 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
97751 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
97752 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
97753 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
97754 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
97755 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
97756 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
97757 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
97758 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
97759 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
97760 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
97761 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
97762 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
97763 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
97764 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
97765 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
97766 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
97767 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
97768 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
97769 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
97770 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
97771 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
97772 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
97773 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
97774 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
97775 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
97776 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
97777 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
97778 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
97779 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
97780 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
97781 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
97782 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
97783 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
97784 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
97785 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
97786 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
97787 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
97788 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
97789 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
97790 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
97791 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
97792 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
97793 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
97794 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
97795 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
97796 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
97797 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
97798 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
97799 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
97800 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
97801 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
97802 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
97803 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
97804 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
97805 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
97806 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
97807 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
97808 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
97809 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
97810 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
97811 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
97812 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
97813 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
97814 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
97815 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
97816 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
97817 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
97818 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
97819 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
97820 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
97821 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
97822 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
97823 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
97824 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
97825 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
97826 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
97827 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
97828 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
97829 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
97830 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
97831 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
97832 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
97833 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
97834 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
97835 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
97836 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
97837 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
97838 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
97839 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
97840 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
97841 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
97842 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
97843 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
97844 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
97845 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
97846 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
97847 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
97848 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
97849 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
97850 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
97851 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
97852 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
97853 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
97854 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
97855 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
97856 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
97857 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
97858 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
97859 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
97860 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
97861 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
97862 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
97863 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
97864 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
97865 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
97866 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
97867 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
97868 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
97869 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
97870 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
97871 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
97872 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
97873 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
97874 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
97875 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
97876 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
97877 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
97878 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
97879 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
97880 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
97881 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
97882 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
97883 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
97884 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
97885 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
97886 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
97887 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
97888 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
97889 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
97890 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
97891 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
97892 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
97893 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
97894 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
97895 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
97896 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
97897 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
97898 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
97899 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
97900 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
97901 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
97902 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
97903 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
97904 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
97905 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
97906 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
97907 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
97908 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
97909 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
97910 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
97911 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
97912 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
97913 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
97914 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
97915 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
97916 r1 = r1 + dr
97917 END DO
97918
97919 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
97920 END SUBROUTINE
97921 PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_4_exp_1 ( &
97922 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
97923 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
97924 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
97925 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
97926 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
97927 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
97928 r_pow_t, r_tmp, rr1_delta, rr2_delta
97929
97930 REAL(kind=dp) :: c1, c2, c3
97931 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
97932 & s_r_t_10, s_r_t_11
97933 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
97934 & s_r_t2_9, s_r_t2_10, s_r_t2_11
97935 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
97936 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
97937 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
97938 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
97939 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
97940 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
97941 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
97942 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
97943 & h_to_c_10_11, h_to_c_11_11
97944 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
97945 & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
97946 & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
97947 & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
97948 & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
97949 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
97950 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
97951
97952 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
97953
97954 dr = lgth
97955 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
97956
97957 s_r(:, :, :) = 0.0_dp
97958
97959 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
97960
97961 h_to_c_0_0 = sqrt(alpha/pi)
97962
97963 h_to_c_0_1 = 0.0_dp
97964 h_to_c_1_1 = +2*alpha*h_to_c_0_0
97965 h_to_c_0_2 = -1*h_to_c_1_1
97966 h_to_c_1_2 = +2*alpha*h_to_c_0_1
97967 h_to_c_2_2 = +2*alpha*h_to_c_1_1
97968 h_to_c_0_3 = -1*h_to_c_1_2
97969 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
97970 h_to_c_2_3 = +2*alpha*h_to_c_1_2
97971 h_to_c_3_3 = +2*alpha*h_to_c_2_2
97972 h_to_c_0_4 = -1*h_to_c_1_3
97973 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
97974 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
97975 h_to_c_3_4 = +2*alpha*h_to_c_2_3
97976 h_to_c_4_4 = +2*alpha*h_to_c_3_3
97977 h_to_c_0_5 = -1*h_to_c_1_4
97978 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
97979 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
97980 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
97981 h_to_c_4_5 = +2*alpha*h_to_c_3_4
97982 h_to_c_5_5 = +2*alpha*h_to_c_4_4
97983 h_to_c_0_6 = -1*h_to_c_1_5
97984 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
97985 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
97986 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
97987 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
97988 h_to_c_5_6 = +2*alpha*h_to_c_4_5
97989 h_to_c_6_6 = +2*alpha*h_to_c_5_5
97990 h_to_c_0_7 = -1*h_to_c_1_6
97991 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
97992 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
97993 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
97994 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
97995 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
97996 h_to_c_6_7 = +2*alpha*h_to_c_5_6
97997 h_to_c_7_7 = +2*alpha*h_to_c_6_6
97998 h_to_c_0_8 = -1*h_to_c_1_7
97999 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
98000 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
98001 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
98002 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
98003 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
98004 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
98005 h_to_c_7_8 = +2*alpha*h_to_c_6_7
98006 h_to_c_8_8 = +2*alpha*h_to_c_7_7
98007 h_to_c_0_9 = -1*h_to_c_1_8
98008 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
98009 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
98010 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
98011 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
98012 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
98013 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
98014 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
98015 h_to_c_8_9 = +2*alpha*h_to_c_7_8
98016 h_to_c_9_9 = +2*alpha*h_to_c_8_8
98017 h_to_c_0_10 = -1*h_to_c_1_9
98018 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
98019 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
98020 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
98021 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
98022 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
98023 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
98024 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
98025 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
98026 h_to_c_9_10 = +2*alpha*h_to_c_8_9
98027 h_to_c_10_10 = +2*alpha*h_to_c_9_9
98028 h_to_c_0_11 = -1*h_to_c_1_10
98029 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
98030 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
98031 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
98032 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
98033 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
98034 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
98035 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
98036 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
98037 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
98038 h_to_c_10_11 = +2*alpha*h_to_c_9_10
98039 h_to_c_11_11 = +2*alpha*h_to_c_10_10
98040
98041 exp_drsq = exp(-alpha*dr*dr)
98042 exp_2drsq = exp_drsq*exp_drsq
98043
98044 rr1_delta = (ra - rb)/dr
98045
98046 rr1_l = ceiling(-r_c(1) + rr1_delta)
98047 rr1_r = floor(r_c(1) + rr1_delta)
98048
98049 r1 = rr1_l*dr
98050
98051 alpha_e = zeta*zetb/(zeta + zetb)
98052
98053 DO rr1 = rr1_l, rr1_r
98054 s_r_t_0 = 0.0_dp
98055 s_r_t2_0 = 0.0_dp
98056 s_r_t_1 = 0.0_dp
98057 s_r_t2_1 = 0.0_dp
98058 s_r_t_2 = 0.0_dp
98059 s_r_t2_2 = 0.0_dp
98060 s_r_t_3 = 0.0_dp
98061 s_r_t2_3 = 0.0_dp
98062 s_r_t_4 = 0.0_dp
98063 s_r_t2_4 = 0.0_dp
98064 s_r_t_5 = 0.0_dp
98065 s_r_t2_5 = 0.0_dp
98066 s_r_t_6 = 0.0_dp
98067 s_r_t2_6 = 0.0_dp
98068 s_r_t_7 = 0.0_dp
98069 s_r_t2_7 = 0.0_dp
98070 s_r_t_8 = 0.0_dp
98071 s_r_t2_8 = 0.0_dp
98072 s_r_t_9 = 0.0_dp
98073 s_r_t2_9 = 0.0_dp
98074 s_r_t_10 = 0.0_dp
98075 s_r_t2_10 = 0.0_dp
98076 s_r_t_11 = 0.0_dp
98077 s_r_t2_11 = 0.0_dp
98078 r_tmp = r_offset + r1*zeta/(zeta + zetb)
98079 rr2_delta = -r_tmp/dr
98080
98081 rr2_l = ceiling(-r_c(2) + rr2_delta)
98082 rr2_r = floor(r_c(2) + rr2_delta)
98083
98084 r = r_tmp + (rr2_l)*dr
98085
98086 exp2_2rdr = exp(-2*alpha*r*dr)
98087 exp2_rsq = exp(-alpha*r*r)
98088
98089 DO rr2 = rr2_l, rr2_r
98090 r_pow_t = 1.0_dp
98091 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
98092 r_pow_t = r_pow_t*r
98093 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
98094 r_pow_t = r_pow_t*r
98095 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
98096 r_pow_t = r_pow_t*r
98097 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
98098 r_pow_t = r_pow_t*r
98099 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
98100 r_pow_t = r_pow_t*r
98101 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
98102 r_pow_t = r_pow_t*r
98103 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
98104 r_pow_t = r_pow_t*r
98105 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
98106 r_pow_t = r_pow_t*r
98107 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
98108 r_pow_t = r_pow_t*r
98109 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
98110 r_pow_t = r_pow_t*r
98111 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
98112 r_pow_t = r_pow_t*r
98113 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
98114
98115 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
98116 exp2_2rdr = exp2_2rdr*exp_2drsq
98117 r = r + dr
98118 END DO
98119
98120 ! C --> H
98121 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
98122 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
98123 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
98124 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
98125 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
98126 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
98127 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
98128 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
98129 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
98130 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
98131 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
98132 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
98133 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
98134 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
98135 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
98136 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
98137 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
98138 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
98139 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
98140 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
98141 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
98142 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
98143 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
98144 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
98145 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
98146 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
98147 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
98148 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
98149 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
98150 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
98151 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
98152 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
98153 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
98154 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
98155 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
98156 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
98157 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
98158 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
98159 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
98160 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
98161 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
98162 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
98163 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
98164 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
98165 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
98166 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
98167 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
98168 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
98169 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
98170 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
98171 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
98172 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
98173 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
98174 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
98175 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
98176 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
98177 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
98178 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
98179 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
98180 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
98181 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
98182 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
98183 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
98184 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
98185 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
98186 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
98187 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
98188 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
98189 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
98190 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
98191 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
98192 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
98193 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
98194 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
98195 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
98196 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
98197 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
98198 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
98199
98200 ! H --> HH
98201 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
98202
98203 c1 = 1.0_dp/(zeta + zetb)
98204 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
98205 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
98206
98207 e_0_1_0 = zeta*( &
98208 +c2*e_0_0_0&
98209
98210 )
98211 e_0_0_1 = zetb*( &
98212 +c3*e_0_0_0&
98213
98214 )
98215 e_1_1_0 = zeta*( c1*e_0_0_0 &
98216
98217
98218 )
98219 e_1_0_1 = zetb*( c1*e_0_0_0 &
98220
98221
98222 )
98223 e_0_2_0 = zeta*( &
98224 +c2*e_0_1_0&
98225 +2*e_1_1_0 &
98226 -2*e_0_0_0)
98227 e_0_1_1 = zetb*( &
98228 +c3*e_0_1_0&
98229 +2*e_1_1_0 &
98230 )
98231 e_1_2_0 = zeta*( c1*e_0_1_0 &
98232 +c2*e_1_1_0&
98233
98234 )
98235 e_1_1_1 = zetb*( c1*e_0_1_0 &
98236 +c3*e_1_1_0&
98237
98238 )
98239 e_2_2_0 = zeta*( c1*e_1_1_0 &
98240
98241
98242 )
98243 e_2_1_1 = zetb*( c1*e_1_1_0 &
98244
98245
98246 )
98247 e_0_3_0 = zeta*( &
98248 +c2*e_0_2_0&
98249 +2*e_1_2_0 &
98250 -4*e_0_1_0)
98251 e_0_2_1 = zetb*( &
98252 +c3*e_0_2_0&
98253 +2*e_1_2_0 &
98254 )
98255 e_1_3_0 = zeta*( c1*e_0_2_0 &
98256 +c2*e_1_2_0&
98257 +4*e_2_2_0 &
98258 -4*e_1_1_0)
98259 e_1_2_1 = zetb*( c1*e_0_2_0 &
98260 +c3*e_1_2_0&
98261 +4*e_2_2_0 &
98262 )
98263 e_2_3_0 = zeta*( c1*e_1_2_0 &
98264 +c2*e_2_2_0&
98265
98266 )
98267 e_2_2_1 = zetb*( c1*e_1_2_0 &
98268 +c3*e_2_2_0&
98269
98270 )
98271 e_3_3_0 = zeta*( c1*e_2_2_0 &
98272
98273
98274 )
98275 e_3_2_1 = zetb*( c1*e_2_2_0 &
98276
98277
98278 )
98279 e_0_3_1 = zetb*( &
98280 +c3*e_0_3_0&
98281 +2*e_1_3_0 &
98282 )
98283 e_1_3_1 = zetb*( c1*e_0_3_0 &
98284 +c3*e_1_3_0&
98285 +4*e_2_3_0 &
98286 )
98287 e_2_3_1 = zetb*( c1*e_1_3_0 &
98288 +c3*e_2_3_0&
98289 +6*e_3_3_0 &
98290 )
98291 e_3_3_1 = zetb*( c1*e_2_3_0 &
98292 +c3*e_3_3_0&
98293
98294 )
98295 e_4_3_1 = zetb*( c1*e_3_3_0 &
98296
98297
98298 )
98299 e_0_1_1 = zeta*( &
98300 +c2*e_0_0_1&
98301 +2*e_1_0_1 &
98302 )
98303 e_0_0_2 = zetb*( &
98304 +c3*e_0_0_1&
98305 +2*e_1_0_1 &
98306 -2*e_0_0_0)
98307 e_1_1_1 = zeta*( c1*e_0_0_1 &
98308 +c2*e_1_0_1&
98309
98310 )
98311 e_1_0_2 = zetb*( c1*e_0_0_1 &
98312 +c3*e_1_0_1&
98313
98314 )
98315 e_2_1_1 = zeta*( c1*e_1_0_1 &
98316
98317
98318 )
98319 e_2_0_2 = zetb*( c1*e_1_0_1 &
98320
98321
98322 )
98323 e_0_2_1 = zeta*( &
98324 +c2*e_0_1_1&
98325 +2*e_1_1_1 &
98326 -2*e_0_0_1)
98327 e_0_1_2 = zetb*( &
98328 +c3*e_0_1_1&
98329 +2*e_1_1_1 &
98330 -2*e_0_1_0)
98331 e_1_2_1 = zeta*( c1*e_0_1_1 &
98332 +c2*e_1_1_1&
98333 +4*e_2_1_1 &
98334 -2*e_1_0_1)
98335 e_1_1_2 = zetb*( c1*e_0_1_1 &
98336 +c3*e_1_1_1&
98337 +4*e_2_1_1 &
98338 -2*e_1_1_0)
98339 e_2_2_1 = zeta*( c1*e_1_1_1 &
98340 +c2*e_2_1_1&
98341
98342 )
98343 e_2_1_2 = zetb*( c1*e_1_1_1 &
98344 +c3*e_2_1_1&
98345
98346 )
98347 e_3_2_1 = zeta*( c1*e_2_1_1 &
98348
98349
98350 )
98351 e_3_1_2 = zetb*( c1*e_2_1_1 &
98352
98353
98354 )
98355 e_0_3_1 = zeta*( &
98356 +c2*e_0_2_1&
98357 +2*e_1_2_1 &
98358 -4*e_0_1_1)
98359 e_0_2_2 = zetb*( &
98360 +c3*e_0_2_1&
98361 +2*e_1_2_1 &
98362 -2*e_0_2_0)
98363 e_1_3_1 = zeta*( c1*e_0_2_1 &
98364 +c2*e_1_2_1&
98365 +4*e_2_2_1 &
98366 -4*e_1_1_1)
98367 e_1_2_2 = zetb*( c1*e_0_2_1 &
98368 +c3*e_1_2_1&
98369 +4*e_2_2_1 &
98370 -2*e_1_2_0)
98371 e_2_3_1 = zeta*( c1*e_1_2_1 &
98372 +c2*e_2_2_1&
98373 +6*e_3_2_1 &
98374 -4*e_2_1_1)
98375 e_2_2_2 = zetb*( c1*e_1_2_1 &
98376 +c3*e_2_2_1&
98377 +6*e_3_2_1 &
98378 -2*e_2_2_0)
98379 e_3_3_1 = zeta*( c1*e_2_2_1 &
98380 +c2*e_3_2_1&
98381
98382 )
98383 e_3_2_2 = zetb*( c1*e_2_2_1 &
98384 +c3*e_3_2_1&
98385
98386 )
98387 e_4_3_1 = zeta*( c1*e_3_2_1 &
98388
98389
98390 )
98391 e_4_2_2 = zetb*( c1*e_3_2_1 &
98392
98393
98394 )
98395 e_0_3_2 = zetb*( &
98396 +c3*e_0_3_1&
98397 +2*e_1_3_1 &
98398 -2*e_0_3_0)
98399 e_1_3_2 = zetb*( c1*e_0_3_1 &
98400 +c3*e_1_3_1&
98401 +4*e_2_3_1 &
98402 -2*e_1_3_0)
98403 e_2_3_2 = zetb*( c1*e_1_3_1 &
98404 +c3*e_2_3_1&
98405 +6*e_3_3_1 &
98406 -2*e_2_3_0)
98407 e_3_3_2 = zetb*( c1*e_2_3_1 &
98408 +c3*e_3_3_1&
98409 +8*e_4_3_1 &
98410 -2*e_3_3_0)
98411 e_4_3_2 = zetb*( c1*e_3_3_1 &
98412 +c3*e_4_3_1&
98413
98414 )
98415 e_5_3_2 = zetb*( c1*e_4_3_1 &
98416
98417
98418 )
98419 e_0_1_2 = zeta*( &
98420 +c2*e_0_0_2&
98421 +2*e_1_0_2 &
98422 )
98423 e_0_0_3 = zetb*( &
98424 +c3*e_0_0_2&
98425 +2*e_1_0_2 &
98426 -4*e_0_0_1)
98427 e_1_1_2 = zeta*( c1*e_0_0_2 &
98428 +c2*e_1_0_2&
98429 +4*e_2_0_2 &
98430 )
98431 e_1_0_3 = zetb*( c1*e_0_0_2 &
98432 +c3*e_1_0_2&
98433 +4*e_2_0_2 &
98434 -4*e_1_0_1)
98435 e_2_1_2 = zeta*( c1*e_1_0_2 &
98436 +c2*e_2_0_2&
98437
98438 )
98439 e_2_0_3 = zetb*( c1*e_1_0_2 &
98440 +c3*e_2_0_2&
98441
98442 )
98443 e_3_1_2 = zeta*( c1*e_2_0_2 &
98444
98445
98446 )
98447 e_3_0_3 = zetb*( c1*e_2_0_2 &
98448
98449
98450 )
98451 e_0_2_2 = zeta*( &
98452 +c2*e_0_1_2&
98453 +2*e_1_1_2 &
98454 -2*e_0_0_2)
98455 e_0_1_3 = zetb*( &
98456 +c3*e_0_1_2&
98457 +2*e_1_1_2 &
98458 -4*e_0_1_1)
98459 e_1_2_2 = zeta*( c1*e_0_1_2 &
98460 +c2*e_1_1_2&
98461 +4*e_2_1_2 &
98462 -2*e_1_0_2)
98463 e_1_1_3 = zetb*( c1*e_0_1_2 &
98464 +c3*e_1_1_2&
98465 +4*e_2_1_2 &
98466 -4*e_1_1_1)
98467 e_2_2_2 = zeta*( c1*e_1_1_2 &
98468 +c2*e_2_1_2&
98469 +6*e_3_1_2 &
98470 -2*e_2_0_2)
98471 e_2_1_3 = zetb*( c1*e_1_1_2 &
98472 +c3*e_2_1_2&
98473 +6*e_3_1_2 &
98474 -4*e_2_1_1)
98475 e_3_2_2 = zeta*( c1*e_2_1_2 &
98476 +c2*e_3_1_2&
98477
98478 )
98479 e_3_1_3 = zetb*( c1*e_2_1_2 &
98480 +c3*e_3_1_2&
98481
98482 )
98483 e_4_2_2 = zeta*( c1*e_3_1_2 &
98484
98485
98486 )
98487 e_4_1_3 = zetb*( c1*e_3_1_2 &
98488
98489
98490 )
98491 e_0_3_2 = zeta*( &
98492 +c2*e_0_2_2&
98493 +2*e_1_2_2 &
98494 -4*e_0_1_2)
98495 e_0_2_3 = zetb*( &
98496 +c3*e_0_2_2&
98497 +2*e_1_2_2 &
98498 -4*e_0_2_1)
98499 e_1_3_2 = zeta*( c1*e_0_2_2 &
98500 +c2*e_1_2_2&
98501 +4*e_2_2_2 &
98502 -4*e_1_1_2)
98503 e_1_2_3 = zetb*( c1*e_0_2_2 &
98504 +c3*e_1_2_2&
98505 +4*e_2_2_2 &
98506 -4*e_1_2_1)
98507 e_2_3_2 = zeta*( c1*e_1_2_2 &
98508 +c2*e_2_2_2&
98509 +6*e_3_2_2 &
98510 -4*e_2_1_2)
98511 e_2_2_3 = zetb*( c1*e_1_2_2 &
98512 +c3*e_2_2_2&
98513 +6*e_3_2_2 &
98514 -4*e_2_2_1)
98515 e_3_3_2 = zeta*( c1*e_2_2_2 &
98516 +c2*e_3_2_2&
98517 +8*e_4_2_2 &
98518 -4*e_3_1_2)
98519 e_3_2_3 = zetb*( c1*e_2_2_2 &
98520 +c3*e_3_2_2&
98521 +8*e_4_2_2 &
98522 -4*e_3_2_1)
98523 e_4_3_2 = zeta*( c1*e_3_2_2 &
98524 +c2*e_4_2_2&
98525
98526 )
98527 e_4_2_3 = zetb*( c1*e_3_2_2 &
98528 +c3*e_4_2_2&
98529
98530 )
98531 e_5_3_2 = zeta*( c1*e_4_2_2 &
98532
98533
98534 )
98535 e_5_2_3 = zetb*( c1*e_4_2_2 &
98536
98537
98538 )
98539 e_0_3_3 = zetb*( &
98540 +c3*e_0_3_2&
98541 +2*e_1_3_2 &
98542 -4*e_0_3_1)
98543 e_1_3_3 = zetb*( c1*e_0_3_2 &
98544 +c3*e_1_3_2&
98545 +4*e_2_3_2 &
98546 -4*e_1_3_1)
98547 e_2_3_3 = zetb*( c1*e_1_3_2 &
98548 +c3*e_2_3_2&
98549 +6*e_3_3_2 &
98550 -4*e_2_3_1)
98551 e_3_3_3 = zetb*( c1*e_2_3_2 &
98552 +c3*e_3_3_2&
98553 +8*e_4_3_2 &
98554 -4*e_3_3_1)
98555 e_4_3_3 = zetb*( c1*e_3_3_2 &
98556 +c3*e_4_3_2&
98557 +10*e_5_3_2 &
98558 -4*e_4_3_1)
98559 e_5_3_3 = zetb*( c1*e_4_3_2 &
98560 +c3*e_5_3_2&
98561
98562 )
98563 e_6_3_3 = zetb*( c1*e_5_3_2 &
98564
98565
98566 )
98567 e_0_1_3 = zeta*( &
98568 +c2*e_0_0_3&
98569 +2*e_1_0_3 &
98570 )
98571 e_0_0_4 = zetb*( &
98572 +c3*e_0_0_3&
98573 +2*e_1_0_3 &
98574 -6*e_0_0_2)
98575 e_1_1_3 = zeta*( c1*e_0_0_3 &
98576 +c2*e_1_0_3&
98577 +4*e_2_0_3 &
98578 )
98579 e_1_0_4 = zetb*( c1*e_0_0_3 &
98580 +c3*e_1_0_3&
98581 +4*e_2_0_3 &
98582 -6*e_1_0_2)
98583 e_2_1_3 = zeta*( c1*e_1_0_3 &
98584 +c2*e_2_0_3&
98585 +6*e_3_0_3 &
98586 )
98587 e_2_0_4 = zetb*( c1*e_1_0_3 &
98588 +c3*e_2_0_3&
98589 +6*e_3_0_3 &
98590 -6*e_2_0_2)
98591 e_3_1_3 = zeta*( c1*e_2_0_3 &
98592 +c2*e_3_0_3&
98593
98594 )
98595 e_3_0_4 = zetb*( c1*e_2_0_3 &
98596 +c3*e_3_0_3&
98597
98598 )
98599 e_4_1_3 = zeta*( c1*e_3_0_3 &
98600
98601
98602 )
98603 e_4_0_4 = zetb*( c1*e_3_0_3 &
98604
98605
98606 )
98607 e_0_2_3 = zeta*( &
98608 +c2*e_0_1_3&
98609 +2*e_1_1_3 &
98610 -2*e_0_0_3)
98611 e_0_1_4 = zetb*( &
98612 +c3*e_0_1_3&
98613 +2*e_1_1_3 &
98614 -6*e_0_1_2)
98615 e_1_2_3 = zeta*( c1*e_0_1_3 &
98616 +c2*e_1_1_3&
98617 +4*e_2_1_3 &
98618 -2*e_1_0_3)
98619 e_1_1_4 = zetb*( c1*e_0_1_3 &
98620 +c3*e_1_1_3&
98621 +4*e_2_1_3 &
98622 -6*e_1_1_2)
98623 e_2_2_3 = zeta*( c1*e_1_1_3 &
98624 +c2*e_2_1_3&
98625 +6*e_3_1_3 &
98626 -2*e_2_0_3)
98627 e_2_1_4 = zetb*( c1*e_1_1_3 &
98628 +c3*e_2_1_3&
98629 +6*e_3_1_3 &
98630 -6*e_2_1_2)
98631 e_3_2_3 = zeta*( c1*e_2_1_3 &
98632 +c2*e_3_1_3&
98633 +8*e_4_1_3 &
98634 -2*e_3_0_3)
98635 e_3_1_4 = zetb*( c1*e_2_1_3 &
98636 +c3*e_3_1_3&
98637 +8*e_4_1_3 &
98638 -6*e_3_1_2)
98639 e_4_2_3 = zeta*( c1*e_3_1_3 &
98640 +c2*e_4_1_3&
98641
98642 )
98643 e_4_1_4 = zetb*( c1*e_3_1_3 &
98644 +c3*e_4_1_3&
98645
98646 )
98647 e_5_2_3 = zeta*( c1*e_4_1_3 &
98648
98649
98650 )
98651 e_5_1_4 = zetb*( c1*e_4_1_3 &
98652
98653
98654 )
98655 e_0_3_3 = zeta*( &
98656 +c2*e_0_2_3&
98657 +2*e_1_2_3 &
98658 -4*e_0_1_3)
98659 e_0_2_4 = zetb*( &
98660 +c3*e_0_2_3&
98661 +2*e_1_2_3 &
98662 -6*e_0_2_2)
98663 e_1_3_3 = zeta*( c1*e_0_2_3 &
98664 +c2*e_1_2_3&
98665 +4*e_2_2_3 &
98666 -4*e_1_1_3)
98667 e_1_2_4 = zetb*( c1*e_0_2_3 &
98668 +c3*e_1_2_3&
98669 +4*e_2_2_3 &
98670 -6*e_1_2_2)
98671 e_2_3_3 = zeta*( c1*e_1_2_3 &
98672 +c2*e_2_2_3&
98673 +6*e_3_2_3 &
98674 -4*e_2_1_3)
98675 e_2_2_4 = zetb*( c1*e_1_2_3 &
98676 +c3*e_2_2_3&
98677 +6*e_3_2_3 &
98678 -6*e_2_2_2)
98679 e_3_3_3 = zeta*( c1*e_2_2_3 &
98680 +c2*e_3_2_3&
98681 +8*e_4_2_3 &
98682 -4*e_3_1_3)
98683 e_3_2_4 = zetb*( c1*e_2_2_3 &
98684 +c3*e_3_2_3&
98685 +8*e_4_2_3 &
98686 -6*e_3_2_2)
98687 e_4_3_3 = zeta*( c1*e_3_2_3 &
98688 +c2*e_4_2_3&
98689 +10*e_5_2_3 &
98690 -4*e_4_1_3)
98691 e_4_2_4 = zetb*( c1*e_3_2_3 &
98692 +c3*e_4_2_3&
98693 +10*e_5_2_3 &
98694 -6*e_4_2_2)
98695 e_5_3_3 = zeta*( c1*e_4_2_3 &
98696 +c2*e_5_2_3&
98697
98698 )
98699 e_5_2_4 = zetb*( c1*e_4_2_3 &
98700 +c3*e_5_2_3&
98701
98702 )
98703 e_6_3_3 = zeta*( c1*e_5_2_3 &
98704
98705
98706 )
98707 e_6_2_4 = zetb*( c1*e_5_2_3 &
98708
98709
98710 )
98711 e_0_3_4 = zetb*( &
98712 +c3*e_0_3_3&
98713 +2*e_1_3_3 &
98714 -6*e_0_3_2)
98715 e_1_3_4 = zetb*( c1*e_0_3_3 &
98716 +c3*e_1_3_3&
98717 +4*e_2_3_3 &
98718 -6*e_1_3_2)
98719 e_2_3_4 = zetb*( c1*e_1_3_3 &
98720 +c3*e_2_3_3&
98721 +6*e_3_3_3 &
98722 -6*e_2_3_2)
98723 e_3_3_4 = zetb*( c1*e_2_3_3 &
98724 +c3*e_3_3_3&
98725 +8*e_4_3_3 &
98726 -6*e_3_3_2)
98727 e_4_3_4 = zetb*( c1*e_3_3_3 &
98728 +c3*e_4_3_3&
98729 +10*e_5_3_3 &
98730 -6*e_4_3_2)
98731 e_5_3_4 = zetb*( c1*e_4_3_3 &
98732 +c3*e_5_3_3&
98733 +12*e_6_3_3 &
98734 -6*e_5_3_2)
98735 e_6_3_4 = zetb*( c1*e_5_3_3 &
98736 +c3*e_6_3_3&
98737
98738 )
98739 e_7_3_4 = zetb*( c1*e_6_3_3 &
98740
98741
98742 )
98743 e_0_1_4 = zeta*( &
98744 +c2*e_0_0_4&
98745 +2*e_1_0_4 &
98746 )
98747 e_1_1_4 = zeta*( c1*e_0_0_4 &
98748 +c2*e_1_0_4&
98749 +4*e_2_0_4 &
98750 )
98751 e_2_1_4 = zeta*( c1*e_1_0_4 &
98752 +c2*e_2_0_4&
98753 +6*e_3_0_4 &
98754 )
98755 e_3_1_4 = zeta*( c1*e_2_0_4 &
98756 +c2*e_3_0_4&
98757 +8*e_4_0_4 &
98758 )
98759 e_4_1_4 = zeta*( c1*e_3_0_4 &
98760 +c2*e_4_0_4&
98761
98762 )
98763 e_5_1_4 = zeta*( c1*e_4_0_4 &
98764
98765
98766 )
98767 e_0_2_4 = zeta*( &
98768 +c2*e_0_1_4&
98769 +2*e_1_1_4 &
98770 -2*e_0_0_4)
98771 e_1_2_4 = zeta*( c1*e_0_1_4 &
98772 +c2*e_1_1_4&
98773 +4*e_2_1_4 &
98774 -2*e_1_0_4)
98775 e_2_2_4 = zeta*( c1*e_1_1_4 &
98776 +c2*e_2_1_4&
98777 +6*e_3_1_4 &
98778 -2*e_2_0_4)
98779 e_3_2_4 = zeta*( c1*e_2_1_4 &
98780 +c2*e_3_1_4&
98781 +8*e_4_1_4 &
98782 -2*e_3_0_4)
98783 e_4_2_4 = zeta*( c1*e_3_1_4 &
98784 +c2*e_4_1_4&
98785 +10*e_5_1_4 &
98786 -2*e_4_0_4)
98787 e_5_2_4 = zeta*( c1*e_4_1_4 &
98788 +c2*e_5_1_4&
98789
98790 )
98791 e_6_2_4 = zeta*( c1*e_5_1_4 &
98792
98793
98794 )
98795 e_0_3_4 = zeta*( &
98796 +c2*e_0_2_4&
98797 +2*e_1_2_4 &
98798 -4*e_0_1_4)
98799 e_1_3_4 = zeta*( c1*e_0_2_4 &
98800 +c2*e_1_2_4&
98801 +4*e_2_2_4 &
98802 -4*e_1_1_4)
98803 e_2_3_4 = zeta*( c1*e_1_2_4 &
98804 +c2*e_2_2_4&
98805 +6*e_3_2_4 &
98806 -4*e_2_1_4)
98807 e_3_3_4 = zeta*( c1*e_2_2_4 &
98808 +c2*e_3_2_4&
98809 +8*e_4_2_4 &
98810 -4*e_3_1_4)
98811 e_4_3_4 = zeta*( c1*e_3_2_4 &
98812 +c2*e_4_2_4&
98813 +10*e_5_2_4 &
98814 -4*e_4_1_4)
98815 e_5_3_4 = zeta*( c1*e_4_2_4 &
98816 +c2*e_5_2_4&
98817 +12*e_6_2_4 &
98818 -4*e_5_1_4)
98819 e_6_3_4 = zeta*( c1*e_5_2_4 &
98820 +c2*e_6_2_4&
98821
98822 )
98823 e_7_3_4 = zeta*( c1*e_6_2_4 &
98824
98825
98826 )
98827
98828 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
98829 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
98830 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
98831 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
98832 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
98833 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
98834 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
98835 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
98836 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
98837 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
98838 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
98839 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
98840 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
98841 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
98842 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
98843 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
98844 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
98845 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
98846 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
98847 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
98848 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
98849 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
98850 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
98851 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
98852 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
98853 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
98854 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
98855 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
98856 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
98857 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
98858 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
98859 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
98860 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
98861 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
98862 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
98863 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
98864 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
98865 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
98866 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
98867 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
98868 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
98869 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
98870 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
98871 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
98872 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
98873 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
98874 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
98875 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
98876 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
98877 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
98878 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
98879 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
98880 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
98881 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
98882 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
98883 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
98884 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
98885 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
98886 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
98887 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
98888 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
98889 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
98890 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
98891 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
98892 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
98893 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
98894 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
98895 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
98896 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
98897 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
98898 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
98899 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
98900 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
98901 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
98902 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
98903 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
98904 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
98905 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
98906 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
98907 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
98908 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
98909 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
98910 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
98911 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
98912 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
98913 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
98914 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
98915 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
98916 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
98917 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
98918 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
98919 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
98920 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
98921 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
98922 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
98923 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
98924 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
98925 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
98926 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
98927 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
98928 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
98929 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
98930 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
98931 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
98932 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
98933 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
98934 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
98935 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
98936 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
98937 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
98938 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
98939 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
98940 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
98941 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
98942 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
98943 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
98944 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
98945 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
98946 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
98947 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
98948 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
98949 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
98950 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
98951 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
98952 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
98953 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
98954 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
98955 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
98956 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
98957 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
98958 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
98959 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
98960 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
98961 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
98962 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
98963 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
98964 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
98965 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
98966 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
98967 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
98968 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
98969 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
98970 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
98971 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
98972 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
98973 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
98974 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
98975 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
98976 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
98977 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
98978 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
98979 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
98980 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
98981 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
98982 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
98983 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
98984 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
98985 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
98986 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
98987 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
98988 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
98989 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
98990 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
98991 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
98992 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
98993 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
98994 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
98995 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
98996 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
98997 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
98998 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
98999 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
99000 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
99001 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
99002 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
99003 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
99004 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
99005 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
99006 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
99007 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
99008 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
99009 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
99010 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
99011 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99012 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
99013 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99014 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99015 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99016 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99017 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99018 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
99019 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
99020 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
99021 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
99022 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
99023 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
99024 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
99025 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
99026 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
99027 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
99028 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
99029 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
99030 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
99031 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
99032 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
99033 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
99034 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
99035 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
99036 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
99037 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
99038 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
99039 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
99040 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
99041 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
99042 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
99043 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
99044 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
99045 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
99046 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
99047 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
99048 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
99049 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
99050 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
99051 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
99052 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
99053 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
99054 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
99055 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
99056 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
99057 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
99058 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
99059 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
99060 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
99061 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
99062 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
99063 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
99064 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
99065 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
99066 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
99067 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
99068 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
99069 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
99070 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
99071 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
99072 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
99073 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
99074 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
99075 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
99076 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
99077 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
99078 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
99079 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
99080 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
99081 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
99082 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
99083 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
99084 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
99085 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
99086 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
99087 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
99088 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
99089 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
99090 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
99091 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
99092 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
99093 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
99094 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
99095 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
99096 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
99097 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
99098 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
99099 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
99100 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
99101 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99102 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
99103 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
99104 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99105 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99106 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
99107 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
99108 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
99109 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
99110 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
99111 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
99112 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
99113 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
99114 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
99115 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
99116 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
99117 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
99118 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
99119 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
99120 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
99121 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
99122 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
99123 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
99124 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
99125 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
99126 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
99127 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
99128 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
99129 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
99130 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
99131 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
99132 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
99133 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
99134 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
99135 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
99136 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
99137 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
99138 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
99139 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
99140 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
99141 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
99142 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
99143 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
99144 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
99145 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
99146 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
99147 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
99148 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
99149 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
99150 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
99151 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
99152 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
99153 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
99154 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
99155 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
99156 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
99157 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
99158 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
99159 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
99160 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
99161 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
99162 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
99163 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
99164 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
99165 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
99166 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
99167 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
99168 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
99169 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
99170 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
99171 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
99172 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
99173 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
99174 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
99175 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
99176 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
99177 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
99178 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
99179 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
99180 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
99181 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
99182 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
99183 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
99184 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
99185 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
99186 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
99187 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
99188 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
99189 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
99190 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
99191 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99192 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
99193 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
99194 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99195 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99196 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
99197 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
99198 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
99199 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
99200 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
99201 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
99202 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
99203 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
99204 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
99205 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
99206 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
99207 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
99208 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
99209 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
99210 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
99211 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
99212 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
99213 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
99214 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
99215 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
99216 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
99217 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
99218 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
99219 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
99220 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
99221 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
99222 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
99223 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
99224 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
99225 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
99226 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
99227 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
99228 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
99229 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
99230 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
99231 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
99232 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
99233 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
99234 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
99235 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
99236 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
99237 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
99238 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
99239 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
99240 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
99241 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
99242 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
99243 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
99244 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
99245 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
99246 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
99247 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
99248 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
99249 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
99250 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
99251 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
99252 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
99253 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
99254 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
99255 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
99256 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
99257 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
99258 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
99259 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
99260 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
99261 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
99262 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
99263 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
99264 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
99265 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
99266 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
99267 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
99268 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
99269 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
99270 s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
99271 s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
99272 s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
99273 s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
99274 s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
99275 s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
99276 s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
99277 s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
99278 r1 = r1 + dr
99279 END DO
99280
99281 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99282 END SUBROUTINE
99283 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_0_exp_1 ( &
99284 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99285 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99286 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99287 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99288 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99289 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99290 r_pow_t, r_tmp, rr1_delta, rr2_delta
99291
99292 REAL(kind=dp) :: c1, c2, c3
99293 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
99294 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
99295 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99296 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
99297 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99298 & e_2_4_0, e_3_4_0, e_4_4_0
99299
99300 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99301
99302 dr = lgth
99303 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99304
99305 s_r(:, :, :) = 0.0_dp
99306
99307 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99308
99309 h_to_c_0_0 = sqrt(alpha/pi)
99310
99311 h_to_c_0_1 = 0.0_dp
99312 h_to_c_1_1 = +2*alpha*h_to_c_0_0
99313 h_to_c_0_2 = -1*h_to_c_1_1
99314 h_to_c_1_2 = +2*alpha*h_to_c_0_1
99315 h_to_c_2_2 = +2*alpha*h_to_c_1_1
99316 h_to_c_0_3 = -1*h_to_c_1_2
99317 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99318 h_to_c_2_3 = +2*alpha*h_to_c_1_2
99319 h_to_c_3_3 = +2*alpha*h_to_c_2_2
99320 h_to_c_0_4 = -1*h_to_c_1_3
99321 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99322 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99323 h_to_c_3_4 = +2*alpha*h_to_c_2_3
99324 h_to_c_4_4 = +2*alpha*h_to_c_3_3
99325
99326 exp_drsq = exp(-alpha*dr*dr)
99327 exp_2drsq = exp_drsq*exp_drsq
99328
99329 rr1_delta = (ra - rb)/dr
99330
99331 rr1_l = ceiling(-r_c(1) + rr1_delta)
99332 rr1_r = floor(r_c(1) + rr1_delta)
99333
99334 r1 = rr1_l*dr
99335
99336 alpha_e = zeta*zetb/(zeta + zetb)
99337
99338 DO rr1 = rr1_l, rr1_r
99339 s_r_t_0 = 0.0_dp
99340 s_r_t2_0 = 0.0_dp
99341 s_r_t_1 = 0.0_dp
99342 s_r_t2_1 = 0.0_dp
99343 s_r_t_2 = 0.0_dp
99344 s_r_t2_2 = 0.0_dp
99345 s_r_t_3 = 0.0_dp
99346 s_r_t2_3 = 0.0_dp
99347 s_r_t_4 = 0.0_dp
99348 s_r_t2_4 = 0.0_dp
99349 r_tmp = r_offset + r1*zeta/(zeta + zetb)
99350 rr2_delta = -r_tmp/dr
99351
99352 rr2_l = ceiling(-r_c(2) + rr2_delta)
99353 rr2_r = floor(r_c(2) + rr2_delta)
99354
99355 r = r_tmp + (rr2_l)*dr
99356
99357 exp2_2rdr = exp(-2*alpha*r*dr)
99358 exp2_rsq = exp(-alpha*r*r)
99359
99360 DO rr2 = rr2_l, rr2_r
99361 r_pow_t = 1.0_dp
99362 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99363 r_pow_t = r_pow_t*r
99364 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99365 r_pow_t = r_pow_t*r
99366 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99367 r_pow_t = r_pow_t*r
99368 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99369 r_pow_t = r_pow_t*r
99370 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99371
99372 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99373 exp2_2rdr = exp2_2rdr*exp_2drsq
99374 r = r + dr
99375 END DO
99376
99377 ! C --> H
99378 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99379 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99380 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99381 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99382 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99383 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99384 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99385 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99386 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99387 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99388 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99389 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99390 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99391 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99392 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99393
99394 ! H --> HH
99395 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99396
99397 c1 = 1.0_dp/(zeta + zetb)
99398 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99399 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99400
99401 e_0_1_0 = zeta*( &
99402 +c2*e_0_0_0&
99403
99404 )
99405 e_1_1_0 = zeta*( c1*e_0_0_0 &
99406
99407
99408 )
99409 e_0_2_0 = zeta*( &
99410 +c2*e_0_1_0&
99411 +2*e_1_1_0 &
99412 -2*e_0_0_0)
99413 e_1_2_0 = zeta*( c1*e_0_1_0 &
99414 +c2*e_1_1_0&
99415
99416 )
99417 e_2_2_0 = zeta*( c1*e_1_1_0 &
99418
99419
99420 )
99421 e_0_3_0 = zeta*( &
99422 +c2*e_0_2_0&
99423 +2*e_1_2_0 &
99424 -4*e_0_1_0)
99425 e_1_3_0 = zeta*( c1*e_0_2_0 &
99426 +c2*e_1_2_0&
99427 +4*e_2_2_0 &
99428 -4*e_1_1_0)
99429 e_2_3_0 = zeta*( c1*e_1_2_0 &
99430 +c2*e_2_2_0&
99431
99432 )
99433 e_3_3_0 = zeta*( c1*e_2_2_0 &
99434
99435
99436 )
99437 e_0_4_0 = zeta*( &
99438 +c2*e_0_3_0&
99439 +2*e_1_3_0 &
99440 -6*e_0_2_0)
99441 e_1_4_0 = zeta*( c1*e_0_3_0 &
99442 +c2*e_1_3_0&
99443 +4*e_2_3_0 &
99444 -6*e_1_2_0)
99445 e_2_4_0 = zeta*( c1*e_1_3_0 &
99446 +c2*e_2_3_0&
99447 +6*e_3_3_0 &
99448 -6*e_2_2_0)
99449 e_3_4_0 = zeta*( c1*e_2_3_0 &
99450 +c2*e_3_3_0&
99451
99452 )
99453 e_4_4_0 = zeta*( c1*e_3_3_0 &
99454
99455
99456 )
99457
99458 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99459 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99460 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99461 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99462 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99463 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99464 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99465 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99466 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99467 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99468 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99469 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99470 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99471 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99472 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99473 r1 = r1 + dr
99474 END DO
99475
99476 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99477 END SUBROUTINE
99478 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_1_exp_1 ( &
99479 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99480 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99481 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99482 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99483 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99484 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99485 r_pow_t, r_tmp, rr1_delta, rr2_delta
99486
99487 REAL(kind=dp) :: c1, c2, c3
99488 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
99489 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
99490 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99491 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99492 & h_to_c_4_5, h_to_c_5_5
99493 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99494 & e_2_4_0, e_3_4_0, e_4_4_0
99495
99496 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99497
99498 dr = lgth
99499 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99500
99501 s_r(:, :, :) = 0.0_dp
99502
99503 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99504
99505 h_to_c_0_0 = sqrt(alpha/pi)
99506
99507 h_to_c_0_1 = 0.0_dp
99508 h_to_c_1_1 = +2*alpha*h_to_c_0_0
99509 h_to_c_0_2 = -1*h_to_c_1_1
99510 h_to_c_1_2 = +2*alpha*h_to_c_0_1
99511 h_to_c_2_2 = +2*alpha*h_to_c_1_1
99512 h_to_c_0_3 = -1*h_to_c_1_2
99513 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99514 h_to_c_2_3 = +2*alpha*h_to_c_1_2
99515 h_to_c_3_3 = +2*alpha*h_to_c_2_2
99516 h_to_c_0_4 = -1*h_to_c_1_3
99517 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99518 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99519 h_to_c_3_4 = +2*alpha*h_to_c_2_3
99520 h_to_c_4_4 = +2*alpha*h_to_c_3_3
99521 h_to_c_0_5 = -1*h_to_c_1_4
99522 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
99523 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
99524 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
99525 h_to_c_4_5 = +2*alpha*h_to_c_3_4
99526 h_to_c_5_5 = +2*alpha*h_to_c_4_4
99527
99528 exp_drsq = exp(-alpha*dr*dr)
99529 exp_2drsq = exp_drsq*exp_drsq
99530
99531 rr1_delta = (ra - rb)/dr
99532
99533 rr1_l = ceiling(-r_c(1) + rr1_delta)
99534 rr1_r = floor(r_c(1) + rr1_delta)
99535
99536 r1 = rr1_l*dr
99537
99538 alpha_e = zeta*zetb/(zeta + zetb)
99539
99540 DO rr1 = rr1_l, rr1_r
99541 s_r_t_0 = 0.0_dp
99542 s_r_t2_0 = 0.0_dp
99543 s_r_t_1 = 0.0_dp
99544 s_r_t2_1 = 0.0_dp
99545 s_r_t_2 = 0.0_dp
99546 s_r_t2_2 = 0.0_dp
99547 s_r_t_3 = 0.0_dp
99548 s_r_t2_3 = 0.0_dp
99549 s_r_t_4 = 0.0_dp
99550 s_r_t2_4 = 0.0_dp
99551 s_r_t_5 = 0.0_dp
99552 s_r_t2_5 = 0.0_dp
99553 r_tmp = r_offset + r1*zeta/(zeta + zetb)
99554 rr2_delta = -r_tmp/dr
99555
99556 rr2_l = ceiling(-r_c(2) + rr2_delta)
99557 rr2_r = floor(r_c(2) + rr2_delta)
99558
99559 r = r_tmp + (rr2_l)*dr
99560
99561 exp2_2rdr = exp(-2*alpha*r*dr)
99562 exp2_rsq = exp(-alpha*r*r)
99563
99564 DO rr2 = rr2_l, rr2_r
99565 r_pow_t = 1.0_dp
99566 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99567 r_pow_t = r_pow_t*r
99568 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99569 r_pow_t = r_pow_t*r
99570 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99571 r_pow_t = r_pow_t*r
99572 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99573 r_pow_t = r_pow_t*r
99574 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99575 r_pow_t = r_pow_t*r
99576 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
99577
99578 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99579 exp2_2rdr = exp2_2rdr*exp_2drsq
99580 r = r + dr
99581 END DO
99582
99583 ! C --> H
99584 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99585 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99586 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99587 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99588 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99589 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99590 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99591 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99592 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99593 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99594 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99595 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99596 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99597 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99598 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99599 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
99600 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
99601 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
99602 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
99603 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
99604 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
99605
99606 ! H --> HH
99607 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99608
99609 c1 = 1.0_dp/(zeta + zetb)
99610 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99611 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99612
99613 e_0_1_0 = zeta*( &
99614 +c2*e_0_0_0&
99615
99616 )
99617 e_1_1_0 = zeta*( c1*e_0_0_0 &
99618
99619
99620 )
99621 e_0_2_0 = zeta*( &
99622 +c2*e_0_1_0&
99623 +2*e_1_1_0 &
99624 -2*e_0_0_0)
99625 e_1_2_0 = zeta*( c1*e_0_1_0 &
99626 +c2*e_1_1_0&
99627
99628 )
99629 e_2_2_0 = zeta*( c1*e_1_1_0 &
99630
99631
99632 )
99633 e_0_3_0 = zeta*( &
99634 +c2*e_0_2_0&
99635 +2*e_1_2_0 &
99636 -4*e_0_1_0)
99637 e_1_3_0 = zeta*( c1*e_0_2_0 &
99638 +c2*e_1_2_0&
99639 +4*e_2_2_0 &
99640 -4*e_1_1_0)
99641 e_2_3_0 = zeta*( c1*e_1_2_0 &
99642 +c2*e_2_2_0&
99643
99644 )
99645 e_3_3_0 = zeta*( c1*e_2_2_0 &
99646
99647
99648 )
99649 e_0_4_0 = zeta*( &
99650 +c2*e_0_3_0&
99651 +2*e_1_3_0 &
99652 -6*e_0_2_0)
99653 e_1_4_0 = zeta*( c1*e_0_3_0 &
99654 +c2*e_1_3_0&
99655 +4*e_2_3_0 &
99656 -6*e_1_2_0)
99657 e_2_4_0 = zeta*( c1*e_1_3_0 &
99658 +c2*e_2_3_0&
99659 +6*e_3_3_0 &
99660 -6*e_2_2_0)
99661 e_3_4_0 = zeta*( c1*e_2_3_0 &
99662 +c2*e_3_3_0&
99663
99664 )
99665 e_4_4_0 = zeta*( c1*e_3_3_0 &
99666
99667
99668 )
99669
99670 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99671 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99672 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99673 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99674 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99675 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99676 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99677 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99678 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99679 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99680 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99681 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99682 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99683 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99684 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99685 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
99686 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
99687 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
99688 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
99689 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
99690 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99691 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
99692 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
99693 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99694 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99695 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
99696 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
99697 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
99698 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
99699 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
99700 r1 = r1 + dr
99701 END DO
99702
99703 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99704 END SUBROUTINE
99705 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_2_exp_1 ( &
99706 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99707 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99708 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99709 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99710 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99711 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99712 r_pow_t, r_tmp, rr1_delta, rr2_delta
99713
99714 REAL(kind=dp) :: c1, c2, c3
99715 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
99716 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
99717 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99718 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99719 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
99720 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99721 & e_2_4_0, e_3_4_0, e_4_4_0
99722
99723 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99724
99725 dr = lgth
99726 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99727
99728 s_r(:, :, :) = 0.0_dp
99729
99730 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99731
99732 h_to_c_0_0 = sqrt(alpha/pi)
99733
99734 h_to_c_0_1 = 0.0_dp
99735 h_to_c_1_1 = +2*alpha*h_to_c_0_0
99736 h_to_c_0_2 = -1*h_to_c_1_1
99737 h_to_c_1_2 = +2*alpha*h_to_c_0_1
99738 h_to_c_2_2 = +2*alpha*h_to_c_1_1
99739 h_to_c_0_3 = -1*h_to_c_1_2
99740 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99741 h_to_c_2_3 = +2*alpha*h_to_c_1_2
99742 h_to_c_3_3 = +2*alpha*h_to_c_2_2
99743 h_to_c_0_4 = -1*h_to_c_1_3
99744 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99745 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99746 h_to_c_3_4 = +2*alpha*h_to_c_2_3
99747 h_to_c_4_4 = +2*alpha*h_to_c_3_3
99748 h_to_c_0_5 = -1*h_to_c_1_4
99749 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
99750 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
99751 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
99752 h_to_c_4_5 = +2*alpha*h_to_c_3_4
99753 h_to_c_5_5 = +2*alpha*h_to_c_4_4
99754 h_to_c_0_6 = -1*h_to_c_1_5
99755 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
99756 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
99757 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
99758 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
99759 h_to_c_5_6 = +2*alpha*h_to_c_4_5
99760 h_to_c_6_6 = +2*alpha*h_to_c_5_5
99761
99762 exp_drsq = exp(-alpha*dr*dr)
99763 exp_2drsq = exp_drsq*exp_drsq
99764
99765 rr1_delta = (ra - rb)/dr
99766
99767 rr1_l = ceiling(-r_c(1) + rr1_delta)
99768 rr1_r = floor(r_c(1) + rr1_delta)
99769
99770 r1 = rr1_l*dr
99771
99772 alpha_e = zeta*zetb/(zeta + zetb)
99773
99774 DO rr1 = rr1_l, rr1_r
99775 s_r_t_0 = 0.0_dp
99776 s_r_t2_0 = 0.0_dp
99777 s_r_t_1 = 0.0_dp
99778 s_r_t2_1 = 0.0_dp
99779 s_r_t_2 = 0.0_dp
99780 s_r_t2_2 = 0.0_dp
99781 s_r_t_3 = 0.0_dp
99782 s_r_t2_3 = 0.0_dp
99783 s_r_t_4 = 0.0_dp
99784 s_r_t2_4 = 0.0_dp
99785 s_r_t_5 = 0.0_dp
99786 s_r_t2_5 = 0.0_dp
99787 s_r_t_6 = 0.0_dp
99788 s_r_t2_6 = 0.0_dp
99789 r_tmp = r_offset + r1*zeta/(zeta + zetb)
99790 rr2_delta = -r_tmp/dr
99791
99792 rr2_l = ceiling(-r_c(2) + rr2_delta)
99793 rr2_r = floor(r_c(2) + rr2_delta)
99794
99795 r = r_tmp + (rr2_l)*dr
99796
99797 exp2_2rdr = exp(-2*alpha*r*dr)
99798 exp2_rsq = exp(-alpha*r*r)
99799
99800 DO rr2 = rr2_l, rr2_r
99801 r_pow_t = 1.0_dp
99802 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99803 r_pow_t = r_pow_t*r
99804 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99805 r_pow_t = r_pow_t*r
99806 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99807 r_pow_t = r_pow_t*r
99808 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99809 r_pow_t = r_pow_t*r
99810 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99811 r_pow_t = r_pow_t*r
99812 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
99813 r_pow_t = r_pow_t*r
99814 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
99815
99816 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99817 exp2_2rdr = exp2_2rdr*exp_2drsq
99818 r = r + dr
99819 END DO
99820
99821 ! C --> H
99822 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99823 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99824 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99825 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99826 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99827 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99828 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99829 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99830 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99831 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99832 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99833 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99834 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99835 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99836 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99837 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
99838 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
99839 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
99840 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
99841 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
99842 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
99843 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
99844 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
99845 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
99846 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
99847 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
99848 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
99849 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
99850
99851 ! H --> HH
99852 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99853
99854 c1 = 1.0_dp/(zeta + zetb)
99855 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99856 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99857
99858 e_0_1_0 = zeta*( &
99859 +c2*e_0_0_0&
99860
99861 )
99862 e_1_1_0 = zeta*( c1*e_0_0_0 &
99863
99864
99865 )
99866 e_0_2_0 = zeta*( &
99867 +c2*e_0_1_0&
99868 +2*e_1_1_0 &
99869 -2*e_0_0_0)
99870 e_1_2_0 = zeta*( c1*e_0_1_0 &
99871 +c2*e_1_1_0&
99872
99873 )
99874 e_2_2_0 = zeta*( c1*e_1_1_0 &
99875
99876
99877 )
99878 e_0_3_0 = zeta*( &
99879 +c2*e_0_2_0&
99880 +2*e_1_2_0 &
99881 -4*e_0_1_0)
99882 e_1_3_0 = zeta*( c1*e_0_2_0 &
99883 +c2*e_1_2_0&
99884 +4*e_2_2_0 &
99885 -4*e_1_1_0)
99886 e_2_3_0 = zeta*( c1*e_1_2_0 &
99887 +c2*e_2_2_0&
99888
99889 )
99890 e_3_3_0 = zeta*( c1*e_2_2_0 &
99891
99892
99893 )
99894 e_0_4_0 = zeta*( &
99895 +c2*e_0_3_0&
99896 +2*e_1_3_0 &
99897 -6*e_0_2_0)
99898 e_1_4_0 = zeta*( c1*e_0_3_0 &
99899 +c2*e_1_3_0&
99900 +4*e_2_3_0 &
99901 -6*e_1_2_0)
99902 e_2_4_0 = zeta*( c1*e_1_3_0 &
99903 +c2*e_2_3_0&
99904 +6*e_3_3_0 &
99905 -6*e_2_2_0)
99906 e_3_4_0 = zeta*( c1*e_2_3_0 &
99907 +c2*e_3_3_0&
99908
99909 )
99910 e_4_4_0 = zeta*( c1*e_3_3_0 &
99911
99912
99913 )
99914
99915 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99916 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99917 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99918 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99919 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99920 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99921 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99922 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99923 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99924 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99925 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99926 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99927 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99928 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99929 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99930 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
99931 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
99932 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
99933 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
99934 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
99935 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99936 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
99937 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
99938 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99939 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99940 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
99941 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
99942 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
99943 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
99944 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
99945 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
99946 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
99947 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
99948 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99949 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
99950 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99951 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99952 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99953 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99954 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99955 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99956 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99957 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99958 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
99959 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
99960 r1 = r1 + dr
99961 END DO
99962
99963 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99964 END SUBROUTINE
99965 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_3_exp_1 ( &
99966 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99967 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99968 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99969 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99970 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99971 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99972 r_pow_t, r_tmp, rr1_delta, rr2_delta
99973
99974 REAL(kind=dp) :: c1, c2, c3
99975 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
99976 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
99977 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99978 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99979 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
99980 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
99981 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99982 & e_2_4_0, e_3_4_0, e_4_4_0
99983
99984 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99985
99986 dr = lgth
99987 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99988
99989 s_r(:, :, :) = 0.0_dp
99990
99991 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99992
99993 h_to_c_0_0 = sqrt(alpha/pi)
99994
99995 h_to_c_0_1 = 0.0_dp
99996 h_to_c_1_1 = +2*alpha*h_to_c_0_0
99997 h_to_c_0_2 = -1*h_to_c_1_1
99998 h_to_c_1_2 = +2*alpha*h_to_c_0_1
99999 h_to_c_2_2 = +2*alpha*h_to_c_1_1
100000 h_to_c_0_3 = -1*h_to_c_1_2
100001 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100002 h_to_c_2_3 = +2*alpha*h_to_c_1_2
100003 h_to_c_3_3 = +2*alpha*h_to_c_2_2
100004 h_to_c_0_4 = -1*h_to_c_1_3
100005 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100006 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100007 h_to_c_3_4 = +2*alpha*h_to_c_2_3
100008 h_to_c_4_4 = +2*alpha*h_to_c_3_3
100009 h_to_c_0_5 = -1*h_to_c_1_4
100010 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100011 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100012 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100013 h_to_c_4_5 = +2*alpha*h_to_c_3_4
100014 h_to_c_5_5 = +2*alpha*h_to_c_4_4
100015 h_to_c_0_6 = -1*h_to_c_1_5
100016 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
100017 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
100018 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
100019 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
100020 h_to_c_5_6 = +2*alpha*h_to_c_4_5
100021 h_to_c_6_6 = +2*alpha*h_to_c_5_5
100022 h_to_c_0_7 = -1*h_to_c_1_6
100023 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
100024 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
100025 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
100026 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
100027 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
100028 h_to_c_6_7 = +2*alpha*h_to_c_5_6
100029 h_to_c_7_7 = +2*alpha*h_to_c_6_6
100030
100031 exp_drsq = exp(-alpha*dr*dr)
100032 exp_2drsq = exp_drsq*exp_drsq
100033
100034 rr1_delta = (ra - rb)/dr
100035
100036 rr1_l = ceiling(-r_c(1) + rr1_delta)
100037 rr1_r = floor(r_c(1) + rr1_delta)
100038
100039 r1 = rr1_l*dr
100040
100041 alpha_e = zeta*zetb/(zeta + zetb)
100042
100043 DO rr1 = rr1_l, rr1_r
100044 s_r_t_0 = 0.0_dp
100045 s_r_t2_0 = 0.0_dp
100046 s_r_t_1 = 0.0_dp
100047 s_r_t2_1 = 0.0_dp
100048 s_r_t_2 = 0.0_dp
100049 s_r_t2_2 = 0.0_dp
100050 s_r_t_3 = 0.0_dp
100051 s_r_t2_3 = 0.0_dp
100052 s_r_t_4 = 0.0_dp
100053 s_r_t2_4 = 0.0_dp
100054 s_r_t_5 = 0.0_dp
100055 s_r_t2_5 = 0.0_dp
100056 s_r_t_6 = 0.0_dp
100057 s_r_t2_6 = 0.0_dp
100058 s_r_t_7 = 0.0_dp
100059 s_r_t2_7 = 0.0_dp
100060 r_tmp = r_offset + r1*zeta/(zeta + zetb)
100061 rr2_delta = -r_tmp/dr
100062
100063 rr2_l = ceiling(-r_c(2) + rr2_delta)
100064 rr2_r = floor(r_c(2) + rr2_delta)
100065
100066 r = r_tmp + (rr2_l)*dr
100067
100068 exp2_2rdr = exp(-2*alpha*r*dr)
100069 exp2_rsq = exp(-alpha*r*r)
100070
100071 DO rr2 = rr2_l, rr2_r
100072 r_pow_t = 1.0_dp
100073 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100074 r_pow_t = r_pow_t*r
100075 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100076 r_pow_t = r_pow_t*r
100077 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100078 r_pow_t = r_pow_t*r
100079 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100080 r_pow_t = r_pow_t*r
100081 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100082 r_pow_t = r_pow_t*r
100083 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100084 r_pow_t = r_pow_t*r
100085 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
100086 r_pow_t = r_pow_t*r
100087 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
100088
100089 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100090 exp2_2rdr = exp2_2rdr*exp_2drsq
100091 r = r + dr
100092 END DO
100093
100094 ! C --> H
100095 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100096 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100097 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100098 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100099 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100100 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100101 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100102 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100103 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100104 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100105 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100106 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100107 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100108 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100109 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100110 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100111 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100112 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100113 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100114 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100115 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100116 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
100117 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
100118 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
100119 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
100120 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
100121 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
100122 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
100123 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
100124 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
100125 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
100126 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
100127 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
100128 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
100129 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
100130 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
100131
100132 ! H --> HH
100133 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100134
100135 c1 = 1.0_dp/(zeta + zetb)
100136 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100137 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100138
100139 e_0_1_0 = zeta*( &
100140 +c2*e_0_0_0&
100141
100142 )
100143 e_1_1_0 = zeta*( c1*e_0_0_0 &
100144
100145
100146 )
100147 e_0_2_0 = zeta*( &
100148 +c2*e_0_1_0&
100149 +2*e_1_1_0 &
100150 -2*e_0_0_0)
100151 e_1_2_0 = zeta*( c1*e_0_1_0 &
100152 +c2*e_1_1_0&
100153
100154 )
100155 e_2_2_0 = zeta*( c1*e_1_1_0 &
100156
100157
100158 )
100159 e_0_3_0 = zeta*( &
100160 +c2*e_0_2_0&
100161 +2*e_1_2_0 &
100162 -4*e_0_1_0)
100163 e_1_3_0 = zeta*( c1*e_0_2_0 &
100164 +c2*e_1_2_0&
100165 +4*e_2_2_0 &
100166 -4*e_1_1_0)
100167 e_2_3_0 = zeta*( c1*e_1_2_0 &
100168 +c2*e_2_2_0&
100169
100170 )
100171 e_3_3_0 = zeta*( c1*e_2_2_0 &
100172
100173
100174 )
100175 e_0_4_0 = zeta*( &
100176 +c2*e_0_3_0&
100177 +2*e_1_3_0 &
100178 -6*e_0_2_0)
100179 e_1_4_0 = zeta*( c1*e_0_3_0 &
100180 +c2*e_1_3_0&
100181 +4*e_2_3_0 &
100182 -6*e_1_2_0)
100183 e_2_4_0 = zeta*( c1*e_1_3_0 &
100184 +c2*e_2_3_0&
100185 +6*e_3_3_0 &
100186 -6*e_2_2_0)
100187 e_3_4_0 = zeta*( c1*e_2_3_0 &
100188 +c2*e_3_3_0&
100189
100190 )
100191 e_4_4_0 = zeta*( c1*e_3_3_0 &
100192
100193
100194 )
100195
100196 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100197 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100198 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100199 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100200 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100201 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100202 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100203 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100204 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100205 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100206 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100207 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100208 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100209 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100210 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100211 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
100212 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
100213 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
100214 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
100215 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
100216 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100217 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
100218 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
100219 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100220 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100221 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
100222 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
100223 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100224 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100225 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100226 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
100227 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
100228 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
100229 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100230 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
100231 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100232 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100233 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100234 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100235 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100236 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100237 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100238 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100239 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100240 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100241 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
100242 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
100243 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
100244 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100245 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
100246 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
100247 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100248 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100249 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
100250 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
100251 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100252 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100253 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100254 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
100255 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
100256 r1 = r1 + dr
100257 END DO
100258
100259 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100260 END SUBROUTINE
100261 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_4_exp_1 ( &
100262 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100263 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100264 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100265 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100266 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100267 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100268 r_pow_t, r_tmp, rr1_delta, rr2_delta
100269
100270 REAL(kind=dp) :: c1, c2, c3
100271 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
100272 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
100273 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100274 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100275 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
100276 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
100277 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
100278 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100279 & e_2_4_0, e_3_4_0, e_4_4_0
100280
100281 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
100282
100283 dr = lgth
100284 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
100285
100286 s_r(:, :, :) = 0.0_dp
100287
100288 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
100289
100290 h_to_c_0_0 = sqrt(alpha/pi)
100291
100292 h_to_c_0_1 = 0.0_dp
100293 h_to_c_1_1 = +2*alpha*h_to_c_0_0
100294 h_to_c_0_2 = -1*h_to_c_1_1
100295 h_to_c_1_2 = +2*alpha*h_to_c_0_1
100296 h_to_c_2_2 = +2*alpha*h_to_c_1_1
100297 h_to_c_0_3 = -1*h_to_c_1_2
100298 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100299 h_to_c_2_3 = +2*alpha*h_to_c_1_2
100300 h_to_c_3_3 = +2*alpha*h_to_c_2_2
100301 h_to_c_0_4 = -1*h_to_c_1_3
100302 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100303 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100304 h_to_c_3_4 = +2*alpha*h_to_c_2_3
100305 h_to_c_4_4 = +2*alpha*h_to_c_3_3
100306 h_to_c_0_5 = -1*h_to_c_1_4
100307 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100308 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100309 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100310 h_to_c_4_5 = +2*alpha*h_to_c_3_4
100311 h_to_c_5_5 = +2*alpha*h_to_c_4_4
100312 h_to_c_0_6 = -1*h_to_c_1_5
100313 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
100314 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
100315 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
100316 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
100317 h_to_c_5_6 = +2*alpha*h_to_c_4_5
100318 h_to_c_6_6 = +2*alpha*h_to_c_5_5
100319 h_to_c_0_7 = -1*h_to_c_1_6
100320 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
100321 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
100322 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
100323 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
100324 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
100325 h_to_c_6_7 = +2*alpha*h_to_c_5_6
100326 h_to_c_7_7 = +2*alpha*h_to_c_6_6
100327 h_to_c_0_8 = -1*h_to_c_1_7
100328 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
100329 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
100330 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
100331 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
100332 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
100333 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
100334 h_to_c_7_8 = +2*alpha*h_to_c_6_7
100335 h_to_c_8_8 = +2*alpha*h_to_c_7_7
100336
100337 exp_drsq = exp(-alpha*dr*dr)
100338 exp_2drsq = exp_drsq*exp_drsq
100339
100340 rr1_delta = (ra - rb)/dr
100341
100342 rr1_l = ceiling(-r_c(1) + rr1_delta)
100343 rr1_r = floor(r_c(1) + rr1_delta)
100344
100345 r1 = rr1_l*dr
100346
100347 alpha_e = zeta*zetb/(zeta + zetb)
100348
100349 DO rr1 = rr1_l, rr1_r
100350 s_r_t_0 = 0.0_dp
100351 s_r_t2_0 = 0.0_dp
100352 s_r_t_1 = 0.0_dp
100353 s_r_t2_1 = 0.0_dp
100354 s_r_t_2 = 0.0_dp
100355 s_r_t2_2 = 0.0_dp
100356 s_r_t_3 = 0.0_dp
100357 s_r_t2_3 = 0.0_dp
100358 s_r_t_4 = 0.0_dp
100359 s_r_t2_4 = 0.0_dp
100360 s_r_t_5 = 0.0_dp
100361 s_r_t2_5 = 0.0_dp
100362 s_r_t_6 = 0.0_dp
100363 s_r_t2_6 = 0.0_dp
100364 s_r_t_7 = 0.0_dp
100365 s_r_t2_7 = 0.0_dp
100366 s_r_t_8 = 0.0_dp
100367 s_r_t2_8 = 0.0_dp
100368 r_tmp = r_offset + r1*zeta/(zeta + zetb)
100369 rr2_delta = -r_tmp/dr
100370
100371 rr2_l = ceiling(-r_c(2) + rr2_delta)
100372 rr2_r = floor(r_c(2) + rr2_delta)
100373
100374 r = r_tmp + (rr2_l)*dr
100375
100376 exp2_2rdr = exp(-2*alpha*r*dr)
100377 exp2_rsq = exp(-alpha*r*r)
100378
100379 DO rr2 = rr2_l, rr2_r
100380 r_pow_t = 1.0_dp
100381 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100382 r_pow_t = r_pow_t*r
100383 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100384 r_pow_t = r_pow_t*r
100385 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100386 r_pow_t = r_pow_t*r
100387 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100388 r_pow_t = r_pow_t*r
100389 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100390 r_pow_t = r_pow_t*r
100391 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100392 r_pow_t = r_pow_t*r
100393 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
100394 r_pow_t = r_pow_t*r
100395 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
100396 r_pow_t = r_pow_t*r
100397 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
100398
100399 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100400 exp2_2rdr = exp2_2rdr*exp_2drsq
100401 r = r + dr
100402 END DO
100403
100404 ! C --> H
100405 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100406 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100407 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100408 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100409 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100410 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100411 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100412 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100413 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100414 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100415 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100416 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100417 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100418 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100419 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100420 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100421 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100422 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100423 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100424 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100425 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100426 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
100427 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
100428 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
100429 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
100430 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
100431 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
100432 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
100433 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
100434 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
100435 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
100436 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
100437 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
100438 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
100439 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
100440 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
100441 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
100442 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
100443 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
100444 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
100445 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
100446 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
100447 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
100448 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
100449 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
100450
100451 ! H --> HH
100452 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100453
100454 c1 = 1.0_dp/(zeta + zetb)
100455 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100456 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100457
100458 e_0_1_0 = zeta*( &
100459 +c2*e_0_0_0&
100460
100461 )
100462 e_1_1_0 = zeta*( c1*e_0_0_0 &
100463
100464
100465 )
100466 e_0_2_0 = zeta*( &
100467 +c2*e_0_1_0&
100468 +2*e_1_1_0 &
100469 -2*e_0_0_0)
100470 e_1_2_0 = zeta*( c1*e_0_1_0 &
100471 +c2*e_1_1_0&
100472
100473 )
100474 e_2_2_0 = zeta*( c1*e_1_1_0 &
100475
100476
100477 )
100478 e_0_3_0 = zeta*( &
100479 +c2*e_0_2_0&
100480 +2*e_1_2_0 &
100481 -4*e_0_1_0)
100482 e_1_3_0 = zeta*( c1*e_0_2_0 &
100483 +c2*e_1_2_0&
100484 +4*e_2_2_0 &
100485 -4*e_1_1_0)
100486 e_2_3_0 = zeta*( c1*e_1_2_0 &
100487 +c2*e_2_2_0&
100488
100489 )
100490 e_3_3_0 = zeta*( c1*e_2_2_0 &
100491
100492
100493 )
100494 e_0_4_0 = zeta*( &
100495 +c2*e_0_3_0&
100496 +2*e_1_3_0 &
100497 -6*e_0_2_0)
100498 e_1_4_0 = zeta*( c1*e_0_3_0 &
100499 +c2*e_1_3_0&
100500 +4*e_2_3_0 &
100501 -6*e_1_2_0)
100502 e_2_4_0 = zeta*( c1*e_1_3_0 &
100503 +c2*e_2_3_0&
100504 +6*e_3_3_0 &
100505 -6*e_2_2_0)
100506 e_3_4_0 = zeta*( c1*e_2_3_0 &
100507 +c2*e_3_3_0&
100508
100509 )
100510 e_4_4_0 = zeta*( c1*e_3_3_0 &
100511
100512
100513 )
100514
100515 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100516 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100517 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100518 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100519 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100520 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100521 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100522 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100523 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100524 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100525 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100526 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100527 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100528 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100529 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100530 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
100531 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
100532 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
100533 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
100534 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
100535 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100536 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
100537 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
100538 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100539 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100540 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
100541 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
100542 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100543 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100544 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100545 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
100546 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
100547 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
100548 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100549 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
100550 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100551 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100552 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100553 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100554 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100555 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100556 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100557 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100558 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100559 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100560 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
100561 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
100562 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
100563 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100564 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
100565 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
100566 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100567 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100568 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
100569 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
100570 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100571 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100572 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100573 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
100574 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
100575 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
100576 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
100577 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
100578 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100579 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
100580 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
100581 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100582 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100583 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
100584 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
100585 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100586 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100587 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100588 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
100589 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
100590 r1 = r1 + dr
100591 END DO
100592
100593 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100594 END SUBROUTINE
100595 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_0_exp_1 ( &
100596 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100597 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100598 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100599 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100600 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100601 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100602 r_pow_t, r_tmp, rr1_delta, rr2_delta
100603
100604 REAL(kind=dp) :: c1, c2, c3
100605 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
100606 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
100607 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100608 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100609 & h_to_c_4_5, h_to_c_5_5
100610 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100611 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
100612 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
100613
100614 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
100615
100616 dr = lgth
100617 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
100618
100619 s_r(:, :, :) = 0.0_dp
100620
100621 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
100622
100623 h_to_c_0_0 = sqrt(alpha/pi)
100624
100625 h_to_c_0_1 = 0.0_dp
100626 h_to_c_1_1 = +2*alpha*h_to_c_0_0
100627 h_to_c_0_2 = -1*h_to_c_1_1
100628 h_to_c_1_2 = +2*alpha*h_to_c_0_1
100629 h_to_c_2_2 = +2*alpha*h_to_c_1_1
100630 h_to_c_0_3 = -1*h_to_c_1_2
100631 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100632 h_to_c_2_3 = +2*alpha*h_to_c_1_2
100633 h_to_c_3_3 = +2*alpha*h_to_c_2_2
100634 h_to_c_0_4 = -1*h_to_c_1_3
100635 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100636 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100637 h_to_c_3_4 = +2*alpha*h_to_c_2_3
100638 h_to_c_4_4 = +2*alpha*h_to_c_3_3
100639 h_to_c_0_5 = -1*h_to_c_1_4
100640 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100641 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100642 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100643 h_to_c_4_5 = +2*alpha*h_to_c_3_4
100644 h_to_c_5_5 = +2*alpha*h_to_c_4_4
100645
100646 exp_drsq = exp(-alpha*dr*dr)
100647 exp_2drsq = exp_drsq*exp_drsq
100648
100649 rr1_delta = (ra - rb)/dr
100650
100651 rr1_l = ceiling(-r_c(1) + rr1_delta)
100652 rr1_r = floor(r_c(1) + rr1_delta)
100653
100654 r1 = rr1_l*dr
100655
100656 alpha_e = zeta*zetb/(zeta + zetb)
100657
100658 DO rr1 = rr1_l, rr1_r
100659 s_r_t_0 = 0.0_dp
100660 s_r_t2_0 = 0.0_dp
100661 s_r_t_1 = 0.0_dp
100662 s_r_t2_1 = 0.0_dp
100663 s_r_t_2 = 0.0_dp
100664 s_r_t2_2 = 0.0_dp
100665 s_r_t_3 = 0.0_dp
100666 s_r_t2_3 = 0.0_dp
100667 s_r_t_4 = 0.0_dp
100668 s_r_t2_4 = 0.0_dp
100669 s_r_t_5 = 0.0_dp
100670 s_r_t2_5 = 0.0_dp
100671 r_tmp = r_offset + r1*zeta/(zeta + zetb)
100672 rr2_delta = -r_tmp/dr
100673
100674 rr2_l = ceiling(-r_c(2) + rr2_delta)
100675 rr2_r = floor(r_c(2) + rr2_delta)
100676
100677 r = r_tmp + (rr2_l)*dr
100678
100679 exp2_2rdr = exp(-2*alpha*r*dr)
100680 exp2_rsq = exp(-alpha*r*r)
100681
100682 DO rr2 = rr2_l, rr2_r
100683 r_pow_t = 1.0_dp
100684 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100685 r_pow_t = r_pow_t*r
100686 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100687 r_pow_t = r_pow_t*r
100688 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100689 r_pow_t = r_pow_t*r
100690 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100691 r_pow_t = r_pow_t*r
100692 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100693 r_pow_t = r_pow_t*r
100694 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100695
100696 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100697 exp2_2rdr = exp2_2rdr*exp_2drsq
100698 r = r + dr
100699 END DO
100700
100701 ! C --> H
100702 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100703 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100704 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100705 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100706 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100707 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100708 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100709 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100710 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100711 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100712 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100713 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100714 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100715 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100716 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100717 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100718 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100719 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100720 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100721 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100722 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100723
100724 ! H --> HH
100725 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100726
100727 c1 = 1.0_dp/(zeta + zetb)
100728 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100729 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100730
100731 e_0_1_0 = zeta*( &
100732 +c2*e_0_0_0&
100733
100734 )
100735 e_0_0_1 = zetb*( &
100736 +c3*e_0_0_0&
100737
100738 )
100739 e_1_1_0 = zeta*( c1*e_0_0_0 &
100740
100741
100742 )
100743 e_1_0_1 = zetb*( c1*e_0_0_0 &
100744
100745
100746 )
100747 e_0_2_0 = zeta*( &
100748 +c2*e_0_1_0&
100749 +2*e_1_1_0 &
100750 -2*e_0_0_0)
100751 e_0_1_1 = zetb*( &
100752 +c3*e_0_1_0&
100753 +2*e_1_1_0 &
100754 )
100755 e_1_2_0 = zeta*( c1*e_0_1_0 &
100756 +c2*e_1_1_0&
100757
100758 )
100759 e_1_1_1 = zetb*( c1*e_0_1_0 &
100760 +c3*e_1_1_0&
100761
100762 )
100763 e_2_2_0 = zeta*( c1*e_1_1_0 &
100764
100765
100766 )
100767 e_2_1_1 = zetb*( c1*e_1_1_0 &
100768
100769
100770 )
100771 e_0_3_0 = zeta*( &
100772 +c2*e_0_2_0&
100773 +2*e_1_2_0 &
100774 -4*e_0_1_0)
100775 e_0_2_1 = zetb*( &
100776 +c3*e_0_2_0&
100777 +2*e_1_2_0 &
100778 )
100779 e_1_3_0 = zeta*( c1*e_0_2_0 &
100780 +c2*e_1_2_0&
100781 +4*e_2_2_0 &
100782 -4*e_1_1_0)
100783 e_1_2_1 = zetb*( c1*e_0_2_0 &
100784 +c3*e_1_2_0&
100785 +4*e_2_2_0 &
100786 )
100787 e_2_3_0 = zeta*( c1*e_1_2_0 &
100788 +c2*e_2_2_0&
100789
100790 )
100791 e_2_2_1 = zetb*( c1*e_1_2_0 &
100792 +c3*e_2_2_0&
100793
100794 )
100795 e_3_3_0 = zeta*( c1*e_2_2_0 &
100796
100797
100798 )
100799 e_3_2_1 = zetb*( c1*e_2_2_0 &
100800
100801
100802 )
100803 e_0_4_0 = zeta*( &
100804 +c2*e_0_3_0&
100805 +2*e_1_3_0 &
100806 -6*e_0_2_0)
100807 e_0_3_1 = zetb*( &
100808 +c3*e_0_3_0&
100809 +2*e_1_3_0 &
100810 )
100811 e_1_4_0 = zeta*( c1*e_0_3_0 &
100812 +c2*e_1_3_0&
100813 +4*e_2_3_0 &
100814 -6*e_1_2_0)
100815 e_1_3_1 = zetb*( c1*e_0_3_0 &
100816 +c3*e_1_3_0&
100817 +4*e_2_3_0 &
100818 )
100819 e_2_4_0 = zeta*( c1*e_1_3_0 &
100820 +c2*e_2_3_0&
100821 +6*e_3_3_0 &
100822 -6*e_2_2_0)
100823 e_2_3_1 = zetb*( c1*e_1_3_0 &
100824 +c3*e_2_3_0&
100825 +6*e_3_3_0 &
100826 )
100827 e_3_4_0 = zeta*( c1*e_2_3_0 &
100828 +c2*e_3_3_0&
100829
100830 )
100831 e_3_3_1 = zetb*( c1*e_2_3_0 &
100832 +c3*e_3_3_0&
100833
100834 )
100835 e_4_4_0 = zeta*( c1*e_3_3_0 &
100836
100837
100838 )
100839 e_4_3_1 = zetb*( c1*e_3_3_0 &
100840
100841
100842 )
100843 e_0_4_1 = zetb*( &
100844 +c3*e_0_4_0&
100845 +2*e_1_4_0 &
100846 )
100847 e_1_4_1 = zetb*( c1*e_0_4_0 &
100848 +c3*e_1_4_0&
100849 +4*e_2_4_0 &
100850 )
100851 e_2_4_1 = zetb*( c1*e_1_4_0 &
100852 +c3*e_2_4_0&
100853 +6*e_3_4_0 &
100854 )
100855 e_3_4_1 = zetb*( c1*e_2_4_0 &
100856 +c3*e_3_4_0&
100857 +8*e_4_4_0 &
100858 )
100859 e_4_4_1 = zetb*( c1*e_3_4_0 &
100860 +c3*e_4_4_0&
100861
100862 )
100863 e_5_4_1 = zetb*( c1*e_4_4_0 &
100864
100865
100866 )
100867 e_0_1_1 = zeta*( &
100868 +c2*e_0_0_1&
100869 +2*e_1_0_1 &
100870 )
100871 e_1_1_1 = zeta*( c1*e_0_0_1 &
100872 +c2*e_1_0_1&
100873
100874 )
100875 e_2_1_1 = zeta*( c1*e_1_0_1 &
100876
100877
100878 )
100879 e_0_2_1 = zeta*( &
100880 +c2*e_0_1_1&
100881 +2*e_1_1_1 &
100882 -2*e_0_0_1)
100883 e_1_2_1 = zeta*( c1*e_0_1_1 &
100884 +c2*e_1_1_1&
100885 +4*e_2_1_1 &
100886 -2*e_1_0_1)
100887 e_2_2_1 = zeta*( c1*e_1_1_1 &
100888 +c2*e_2_1_1&
100889
100890 )
100891 e_3_2_1 = zeta*( c1*e_2_1_1 &
100892
100893
100894 )
100895 e_0_3_1 = zeta*( &
100896 +c2*e_0_2_1&
100897 +2*e_1_2_1 &
100898 -4*e_0_1_1)
100899 e_1_3_1 = zeta*( c1*e_0_2_1 &
100900 +c2*e_1_2_1&
100901 +4*e_2_2_1 &
100902 -4*e_1_1_1)
100903 e_2_3_1 = zeta*( c1*e_1_2_1 &
100904 +c2*e_2_2_1&
100905 +6*e_3_2_1 &
100906 -4*e_2_1_1)
100907 e_3_3_1 = zeta*( c1*e_2_2_1 &
100908 +c2*e_3_2_1&
100909
100910 )
100911 e_4_3_1 = zeta*( c1*e_3_2_1 &
100912
100913
100914 )
100915 e_0_4_1 = zeta*( &
100916 +c2*e_0_3_1&
100917 +2*e_1_3_1 &
100918 -6*e_0_2_1)
100919 e_1_4_1 = zeta*( c1*e_0_3_1 &
100920 +c2*e_1_3_1&
100921 +4*e_2_3_1 &
100922 -6*e_1_2_1)
100923 e_2_4_1 = zeta*( c1*e_1_3_1 &
100924 +c2*e_2_3_1&
100925 +6*e_3_3_1 &
100926 -6*e_2_2_1)
100927 e_3_4_1 = zeta*( c1*e_2_3_1 &
100928 +c2*e_3_3_1&
100929 +8*e_4_3_1 &
100930 -6*e_3_2_1)
100931 e_4_4_1 = zeta*( c1*e_3_3_1 &
100932 +c2*e_4_3_1&
100933
100934 )
100935 e_5_4_1 = zeta*( c1*e_4_3_1 &
100936
100937
100938 )
100939
100940 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100941 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100942 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100943 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100944 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100945 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100946 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100947 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100948 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100949 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100950 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100951 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100952 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100953 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100954 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100955 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
100956 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
100957 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
100958 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
100959 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
100960 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
100961 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
100962 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
100963 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
100964 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
100965 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
100966 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
100967 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
100968 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
100969 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
100970 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
100971 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
100972 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
100973 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
100974 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
100975 r1 = r1 + dr
100976 END DO
100977
100978 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100979 END SUBROUTINE
100980 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_1_exp_1 ( &
100981 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100982 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100983 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100984 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100985 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100986 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100987 r_pow_t, r_tmp, rr1_delta, rr2_delta
100988
100989 REAL(kind=dp) :: c1, c2, c3
100990 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
100991 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
100992 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100993 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100994 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
100995 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100996 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
100997 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
100998
100999 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101000
101001 dr = lgth
101002 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101003
101004 s_r(:, :, :) = 0.0_dp
101005
101006 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101007
101008 h_to_c_0_0 = sqrt(alpha/pi)
101009
101010 h_to_c_0_1 = 0.0_dp
101011 h_to_c_1_1 = +2*alpha*h_to_c_0_0
101012 h_to_c_0_2 = -1*h_to_c_1_1
101013 h_to_c_1_2 = +2*alpha*h_to_c_0_1
101014 h_to_c_2_2 = +2*alpha*h_to_c_1_1
101015 h_to_c_0_3 = -1*h_to_c_1_2
101016 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101017 h_to_c_2_3 = +2*alpha*h_to_c_1_2
101018 h_to_c_3_3 = +2*alpha*h_to_c_2_2
101019 h_to_c_0_4 = -1*h_to_c_1_3
101020 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101021 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101022 h_to_c_3_4 = +2*alpha*h_to_c_2_3
101023 h_to_c_4_4 = +2*alpha*h_to_c_3_3
101024 h_to_c_0_5 = -1*h_to_c_1_4
101025 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101026 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101027 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101028 h_to_c_4_5 = +2*alpha*h_to_c_3_4
101029 h_to_c_5_5 = +2*alpha*h_to_c_4_4
101030 h_to_c_0_6 = -1*h_to_c_1_5
101031 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101032 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101033 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101034 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101035 h_to_c_5_6 = +2*alpha*h_to_c_4_5
101036 h_to_c_6_6 = +2*alpha*h_to_c_5_5
101037
101038 exp_drsq = exp(-alpha*dr*dr)
101039 exp_2drsq = exp_drsq*exp_drsq
101040
101041 rr1_delta = (ra - rb)/dr
101042
101043 rr1_l = ceiling(-r_c(1) + rr1_delta)
101044 rr1_r = floor(r_c(1) + rr1_delta)
101045
101046 r1 = rr1_l*dr
101047
101048 alpha_e = zeta*zetb/(zeta + zetb)
101049
101050 DO rr1 = rr1_l, rr1_r
101051 s_r_t_0 = 0.0_dp
101052 s_r_t2_0 = 0.0_dp
101053 s_r_t_1 = 0.0_dp
101054 s_r_t2_1 = 0.0_dp
101055 s_r_t_2 = 0.0_dp
101056 s_r_t2_2 = 0.0_dp
101057 s_r_t_3 = 0.0_dp
101058 s_r_t2_3 = 0.0_dp
101059 s_r_t_4 = 0.0_dp
101060 s_r_t2_4 = 0.0_dp
101061 s_r_t_5 = 0.0_dp
101062 s_r_t2_5 = 0.0_dp
101063 s_r_t_6 = 0.0_dp
101064 s_r_t2_6 = 0.0_dp
101065 r_tmp = r_offset + r1*zeta/(zeta + zetb)
101066 rr2_delta = -r_tmp/dr
101067
101068 rr2_l = ceiling(-r_c(2) + rr2_delta)
101069 rr2_r = floor(r_c(2) + rr2_delta)
101070
101071 r = r_tmp + (rr2_l)*dr
101072
101073 exp2_2rdr = exp(-2*alpha*r*dr)
101074 exp2_rsq = exp(-alpha*r*r)
101075
101076 DO rr2 = rr2_l, rr2_r
101077 r_pow_t = 1.0_dp
101078 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
101079 r_pow_t = r_pow_t*r
101080 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
101081 r_pow_t = r_pow_t*r
101082 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
101083 r_pow_t = r_pow_t*r
101084 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
101085 r_pow_t = r_pow_t*r
101086 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
101087 r_pow_t = r_pow_t*r
101088 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
101089 r_pow_t = r_pow_t*r
101090 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
101091
101092 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
101093 exp2_2rdr = exp2_2rdr*exp_2drsq
101094 r = r + dr
101095 END DO
101096
101097 ! C --> H
101098 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
101099 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
101100 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
101101 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
101102 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
101103 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
101104 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
101105 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
101106 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
101107 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
101108 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
101109 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
101110 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
101111 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
101112 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
101113 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
101114 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
101115 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
101116 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
101117 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
101118 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
101119 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
101120 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
101121 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
101122 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
101123 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
101124 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
101125 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
101126
101127 ! H --> HH
101128 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
101129
101130 c1 = 1.0_dp/(zeta + zetb)
101131 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
101132 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
101133
101134 e_0_1_0 = zeta*( &
101135 +c2*e_0_0_0&
101136
101137 )
101138 e_0_0_1 = zetb*( &
101139 +c3*e_0_0_0&
101140
101141 )
101142 e_1_1_0 = zeta*( c1*e_0_0_0 &
101143
101144
101145 )
101146 e_1_0_1 = zetb*( c1*e_0_0_0 &
101147
101148
101149 )
101150 e_0_2_0 = zeta*( &
101151 +c2*e_0_1_0&
101152 +2*e_1_1_0 &
101153 -2*e_0_0_0)
101154 e_0_1_1 = zetb*( &
101155 +c3*e_0_1_0&
101156 +2*e_1_1_0 &
101157 )
101158 e_1_2_0 = zeta*( c1*e_0_1_0 &
101159 +c2*e_1_1_0&
101160
101161 )
101162 e_1_1_1 = zetb*( c1*e_0_1_0 &
101163 +c3*e_1_1_0&
101164
101165 )
101166 e_2_2_0 = zeta*( c1*e_1_1_0 &
101167
101168
101169 )
101170 e_2_1_1 = zetb*( c1*e_1_1_0 &
101171
101172
101173 )
101174 e_0_3_0 = zeta*( &
101175 +c2*e_0_2_0&
101176 +2*e_1_2_0 &
101177 -4*e_0_1_0)
101178 e_0_2_1 = zetb*( &
101179 +c3*e_0_2_0&
101180 +2*e_1_2_0 &
101181 )
101182 e_1_3_0 = zeta*( c1*e_0_2_0 &
101183 +c2*e_1_2_0&
101184 +4*e_2_2_0 &
101185 -4*e_1_1_0)
101186 e_1_2_1 = zetb*( c1*e_0_2_0 &
101187 +c3*e_1_2_0&
101188 +4*e_2_2_0 &
101189 )
101190 e_2_3_0 = zeta*( c1*e_1_2_0 &
101191 +c2*e_2_2_0&
101192
101193 )
101194 e_2_2_1 = zetb*( c1*e_1_2_0 &
101195 +c3*e_2_2_0&
101196
101197 )
101198 e_3_3_0 = zeta*( c1*e_2_2_0 &
101199
101200
101201 )
101202 e_3_2_1 = zetb*( c1*e_2_2_0 &
101203
101204
101205 )
101206 e_0_4_0 = zeta*( &
101207 +c2*e_0_3_0&
101208 +2*e_1_3_0 &
101209 -6*e_0_2_0)
101210 e_0_3_1 = zetb*( &
101211 +c3*e_0_3_0&
101212 +2*e_1_3_0 &
101213 )
101214 e_1_4_0 = zeta*( c1*e_0_3_0 &
101215 +c2*e_1_3_0&
101216 +4*e_2_3_0 &
101217 -6*e_1_2_0)
101218 e_1_3_1 = zetb*( c1*e_0_3_0 &
101219 +c3*e_1_3_0&
101220 +4*e_2_3_0 &
101221 )
101222 e_2_4_0 = zeta*( c1*e_1_3_0 &
101223 +c2*e_2_3_0&
101224 +6*e_3_3_0 &
101225 -6*e_2_2_0)
101226 e_2_3_1 = zetb*( c1*e_1_3_0 &
101227 +c3*e_2_3_0&
101228 +6*e_3_3_0 &
101229 )
101230 e_3_4_0 = zeta*( c1*e_2_3_0 &
101231 +c2*e_3_3_0&
101232
101233 )
101234 e_3_3_1 = zetb*( c1*e_2_3_0 &
101235 +c3*e_3_3_0&
101236
101237 )
101238 e_4_4_0 = zeta*( c1*e_3_3_0 &
101239
101240
101241 )
101242 e_4_3_1 = zetb*( c1*e_3_3_0 &
101243
101244
101245 )
101246 e_0_4_1 = zetb*( &
101247 +c3*e_0_4_0&
101248 +2*e_1_4_0 &
101249 )
101250 e_1_4_1 = zetb*( c1*e_0_4_0 &
101251 +c3*e_1_4_0&
101252 +4*e_2_4_0 &
101253 )
101254 e_2_4_1 = zetb*( c1*e_1_4_0 &
101255 +c3*e_2_4_0&
101256 +6*e_3_4_0 &
101257 )
101258 e_3_4_1 = zetb*( c1*e_2_4_0 &
101259 +c3*e_3_4_0&
101260 +8*e_4_4_0 &
101261 )
101262 e_4_4_1 = zetb*( c1*e_3_4_0 &
101263 +c3*e_4_4_0&
101264
101265 )
101266 e_5_4_1 = zetb*( c1*e_4_4_0 &
101267
101268
101269 )
101270 e_0_1_1 = zeta*( &
101271 +c2*e_0_0_1&
101272 +2*e_1_0_1 &
101273 )
101274 e_1_1_1 = zeta*( c1*e_0_0_1 &
101275 +c2*e_1_0_1&
101276
101277 )
101278 e_2_1_1 = zeta*( c1*e_1_0_1 &
101279
101280
101281 )
101282 e_0_2_1 = zeta*( &
101283 +c2*e_0_1_1&
101284 +2*e_1_1_1 &
101285 -2*e_0_0_1)
101286 e_1_2_1 = zeta*( c1*e_0_1_1 &
101287 +c2*e_1_1_1&
101288 +4*e_2_1_1 &
101289 -2*e_1_0_1)
101290 e_2_2_1 = zeta*( c1*e_1_1_1 &
101291 +c2*e_2_1_1&
101292
101293 )
101294 e_3_2_1 = zeta*( c1*e_2_1_1 &
101295
101296
101297 )
101298 e_0_3_1 = zeta*( &
101299 +c2*e_0_2_1&
101300 +2*e_1_2_1 &
101301 -4*e_0_1_1)
101302 e_1_3_1 = zeta*( c1*e_0_2_1 &
101303 +c2*e_1_2_1&
101304 +4*e_2_2_1 &
101305 -4*e_1_1_1)
101306 e_2_3_1 = zeta*( c1*e_1_2_1 &
101307 +c2*e_2_2_1&
101308 +6*e_3_2_1 &
101309 -4*e_2_1_1)
101310 e_3_3_1 = zeta*( c1*e_2_2_1 &
101311 +c2*e_3_2_1&
101312
101313 )
101314 e_4_3_1 = zeta*( c1*e_3_2_1 &
101315
101316
101317 )
101318 e_0_4_1 = zeta*( &
101319 +c2*e_0_3_1&
101320 +2*e_1_3_1 &
101321 -6*e_0_2_1)
101322 e_1_4_1 = zeta*( c1*e_0_3_1 &
101323 +c2*e_1_3_1&
101324 +4*e_2_3_1 &
101325 -6*e_1_2_1)
101326 e_2_4_1 = zeta*( c1*e_1_3_1 &
101327 +c2*e_2_3_1&
101328 +6*e_3_3_1 &
101329 -6*e_2_2_1)
101330 e_3_4_1 = zeta*( c1*e_2_3_1 &
101331 +c2*e_3_3_1&
101332 +8*e_4_3_1 &
101333 -6*e_3_2_1)
101334 e_4_4_1 = zeta*( c1*e_3_3_1 &
101335 +c2*e_4_3_1&
101336
101337 )
101338 e_5_4_1 = zeta*( c1*e_4_3_1 &
101339
101340
101341 )
101342
101343 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
101344 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
101345 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
101346 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
101347 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
101348 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101349 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
101350 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
101351 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101352 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101353 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
101354 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
101355 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101356 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101357 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101358 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
101359 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
101360 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
101361 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
101362 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101363 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
101364 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
101365 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101366 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101367 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
101368 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
101369 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101370 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101371 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101372 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
101373 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
101374 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101375 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101376 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101377 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101378 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
101379 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
101380 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
101381 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
101382 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
101383 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
101384 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
101385 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
101386 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
101387 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
101388 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
101389 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
101390 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
101391 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
101392 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
101393 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
101394 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
101395 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
101396 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
101397 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
101398 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
101399 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
101400 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
101401 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
101402 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
101403 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
101404 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
101405 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
101406 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
101407 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
101408 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
101409 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
101410 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
101411 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
101412 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
101413 r1 = r1 + dr
101414 END DO
101415
101416 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
101417 END SUBROUTINE
101418 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_2_exp_1 ( &
101419 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
101420 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
101421 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
101422 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
101423 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
101424 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
101425 r_pow_t, r_tmp, rr1_delta, rr2_delta
101426
101427 REAL(kind=dp) :: c1, c2, c3
101428 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
101429 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
101430 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
101431 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
101432 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
101433 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
101434 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
101435 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
101436 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
101437
101438 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101439
101440 dr = lgth
101441 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101442
101443 s_r(:, :, :) = 0.0_dp
101444
101445 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101446
101447 h_to_c_0_0 = sqrt(alpha/pi)
101448
101449 h_to_c_0_1 = 0.0_dp
101450 h_to_c_1_1 = +2*alpha*h_to_c_0_0
101451 h_to_c_0_2 = -1*h_to_c_1_1
101452 h_to_c_1_2 = +2*alpha*h_to_c_0_1
101453 h_to_c_2_2 = +2*alpha*h_to_c_1_1
101454 h_to_c_0_3 = -1*h_to_c_1_2
101455 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101456 h_to_c_2_3 = +2*alpha*h_to_c_1_2
101457 h_to_c_3_3 = +2*alpha*h_to_c_2_2
101458 h_to_c_0_4 = -1*h_to_c_1_3
101459 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101460 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101461 h_to_c_3_4 = +2*alpha*h_to_c_2_3
101462 h_to_c_4_4 = +2*alpha*h_to_c_3_3
101463 h_to_c_0_5 = -1*h_to_c_1_4
101464 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101465 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101466 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101467 h_to_c_4_5 = +2*alpha*h_to_c_3_4
101468 h_to_c_5_5 = +2*alpha*h_to_c_4_4
101469 h_to_c_0_6 = -1*h_to_c_1_5
101470 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101471 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101472 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101473 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101474 h_to_c_5_6 = +2*alpha*h_to_c_4_5
101475 h_to_c_6_6 = +2*alpha*h_to_c_5_5
101476 h_to_c_0_7 = -1*h_to_c_1_6
101477 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
101478 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
101479 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
101480 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
101481 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
101482 h_to_c_6_7 = +2*alpha*h_to_c_5_6
101483 h_to_c_7_7 = +2*alpha*h_to_c_6_6
101484
101485 exp_drsq = exp(-alpha*dr*dr)
101486 exp_2drsq = exp_drsq*exp_drsq
101487
101488 rr1_delta = (ra - rb)/dr
101489
101490 rr1_l = ceiling(-r_c(1) + rr1_delta)
101491 rr1_r = floor(r_c(1) + rr1_delta)
101492
101493 r1 = rr1_l*dr
101494
101495 alpha_e = zeta*zetb/(zeta + zetb)
101496
101497 DO rr1 = rr1_l, rr1_r
101498 s_r_t_0 = 0.0_dp
101499 s_r_t2_0 = 0.0_dp
101500 s_r_t_1 = 0.0_dp
101501 s_r_t2_1 = 0.0_dp
101502 s_r_t_2 = 0.0_dp
101503 s_r_t2_2 = 0.0_dp
101504 s_r_t_3 = 0.0_dp
101505 s_r_t2_3 = 0.0_dp
101506 s_r_t_4 = 0.0_dp
101507 s_r_t2_4 = 0.0_dp
101508 s_r_t_5 = 0.0_dp
101509 s_r_t2_5 = 0.0_dp
101510 s_r_t_6 = 0.0_dp
101511 s_r_t2_6 = 0.0_dp
101512 s_r_t_7 = 0.0_dp
101513 s_r_t2_7 = 0.0_dp
101514 r_tmp = r_offset + r1*zeta/(zeta + zetb)
101515 rr2_delta = -r_tmp/dr
101516
101517 rr2_l = ceiling(-r_c(2) + rr2_delta)
101518 rr2_r = floor(r_c(2) + rr2_delta)
101519
101520 r = r_tmp + (rr2_l)*dr
101521
101522 exp2_2rdr = exp(-2*alpha*r*dr)
101523 exp2_rsq = exp(-alpha*r*r)
101524
101525 DO rr2 = rr2_l, rr2_r
101526 r_pow_t = 1.0_dp
101527 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
101528 r_pow_t = r_pow_t*r
101529 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
101530 r_pow_t = r_pow_t*r
101531 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
101532 r_pow_t = r_pow_t*r
101533 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
101534 r_pow_t = r_pow_t*r
101535 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
101536 r_pow_t = r_pow_t*r
101537 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
101538 r_pow_t = r_pow_t*r
101539 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
101540 r_pow_t = r_pow_t*r
101541 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
101542
101543 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
101544 exp2_2rdr = exp2_2rdr*exp_2drsq
101545 r = r + dr
101546 END DO
101547
101548 ! C --> H
101549 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
101550 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
101551 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
101552 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
101553 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
101554 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
101555 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
101556 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
101557 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
101558 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
101559 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
101560 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
101561 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
101562 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
101563 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
101564 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
101565 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
101566 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
101567 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
101568 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
101569 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
101570 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
101571 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
101572 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
101573 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
101574 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
101575 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
101576 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
101577 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
101578 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
101579 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
101580 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
101581 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
101582 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
101583 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
101584 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
101585
101586 ! H --> HH
101587 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
101588
101589 c1 = 1.0_dp/(zeta + zetb)
101590 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
101591 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
101592
101593 e_0_1_0 = zeta*( &
101594 +c2*e_0_0_0&
101595
101596 )
101597 e_0_0_1 = zetb*( &
101598 +c3*e_0_0_0&
101599
101600 )
101601 e_1_1_0 = zeta*( c1*e_0_0_0 &
101602
101603
101604 )
101605 e_1_0_1 = zetb*( c1*e_0_0_0 &
101606
101607
101608 )
101609 e_0_2_0 = zeta*( &
101610 +c2*e_0_1_0&
101611 +2*e_1_1_0 &
101612 -2*e_0_0_0)
101613 e_0_1_1 = zetb*( &
101614 +c3*e_0_1_0&
101615 +2*e_1_1_0 &
101616 )
101617 e_1_2_0 = zeta*( c1*e_0_1_0 &
101618 +c2*e_1_1_0&
101619
101620 )
101621 e_1_1_1 = zetb*( c1*e_0_1_0 &
101622 +c3*e_1_1_0&
101623
101624 )
101625 e_2_2_0 = zeta*( c1*e_1_1_0 &
101626
101627
101628 )
101629 e_2_1_1 = zetb*( c1*e_1_1_0 &
101630
101631
101632 )
101633 e_0_3_0 = zeta*( &
101634 +c2*e_0_2_0&
101635 +2*e_1_2_0 &
101636 -4*e_0_1_0)
101637 e_0_2_1 = zetb*( &
101638 +c3*e_0_2_0&
101639 +2*e_1_2_0 &
101640 )
101641 e_1_3_0 = zeta*( c1*e_0_2_0 &
101642 +c2*e_1_2_0&
101643 +4*e_2_2_0 &
101644 -4*e_1_1_0)
101645 e_1_2_1 = zetb*( c1*e_0_2_0 &
101646 +c3*e_1_2_0&
101647 +4*e_2_2_0 &
101648 )
101649 e_2_3_0 = zeta*( c1*e_1_2_0 &
101650 +c2*e_2_2_0&
101651
101652 )
101653 e_2_2_1 = zetb*( c1*e_1_2_0 &
101654 +c3*e_2_2_0&
101655
101656 )
101657 e_3_3_0 = zeta*( c1*e_2_2_0 &
101658
101659
101660 )
101661 e_3_2_1 = zetb*( c1*e_2_2_0 &
101662
101663
101664 )
101665 e_0_4_0 = zeta*( &
101666 +c2*e_0_3_0&
101667 +2*e_1_3_0 &
101668 -6*e_0_2_0)
101669 e_0_3_1 = zetb*( &
101670 +c3*e_0_3_0&
101671 +2*e_1_3_0 &
101672 )
101673 e_1_4_0 = zeta*( c1*e_0_3_0 &
101674 +c2*e_1_3_0&
101675 +4*e_2_3_0 &
101676 -6*e_1_2_0)
101677 e_1_3_1 = zetb*( c1*e_0_3_0 &
101678 +c3*e_1_3_0&
101679 +4*e_2_3_0 &
101680 )
101681 e_2_4_0 = zeta*( c1*e_1_3_0 &
101682 +c2*e_2_3_0&
101683 +6*e_3_3_0 &
101684 -6*e_2_2_0)
101685 e_2_3_1 = zetb*( c1*e_1_3_0 &
101686 +c3*e_2_3_0&
101687 +6*e_3_3_0 &
101688 )
101689 e_3_4_0 = zeta*( c1*e_2_3_0 &
101690 +c2*e_3_3_0&
101691
101692 )
101693 e_3_3_1 = zetb*( c1*e_2_3_0 &
101694 +c3*e_3_3_0&
101695
101696 )
101697 e_4_4_0 = zeta*( c1*e_3_3_0 &
101698
101699
101700 )
101701 e_4_3_1 = zetb*( c1*e_3_3_0 &
101702
101703
101704 )
101705 e_0_4_1 = zetb*( &
101706 +c3*e_0_4_0&
101707 +2*e_1_4_0 &
101708 )
101709 e_1_4_1 = zetb*( c1*e_0_4_0 &
101710 +c3*e_1_4_0&
101711 +4*e_2_4_0 &
101712 )
101713 e_2_4_1 = zetb*( c1*e_1_4_0 &
101714 +c3*e_2_4_0&
101715 +6*e_3_4_0 &
101716 )
101717 e_3_4_1 = zetb*( c1*e_2_4_0 &
101718 +c3*e_3_4_0&
101719 +8*e_4_4_0 &
101720 )
101721 e_4_4_1 = zetb*( c1*e_3_4_0 &
101722 +c3*e_4_4_0&
101723
101724 )
101725 e_5_4_1 = zetb*( c1*e_4_4_0 &
101726
101727
101728 )
101729 e_0_1_1 = zeta*( &
101730 +c2*e_0_0_1&
101731 +2*e_1_0_1 &
101732 )
101733 e_1_1_1 = zeta*( c1*e_0_0_1 &
101734 +c2*e_1_0_1&
101735
101736 )
101737 e_2_1_1 = zeta*( c1*e_1_0_1 &
101738
101739
101740 )
101741 e_0_2_1 = zeta*( &
101742 +c2*e_0_1_1&
101743 +2*e_1_1_1 &
101744 -2*e_0_0_1)
101745 e_1_2_1 = zeta*( c1*e_0_1_1 &
101746 +c2*e_1_1_1&
101747 +4*e_2_1_1 &
101748 -2*e_1_0_1)
101749 e_2_2_1 = zeta*( c1*e_1_1_1 &
101750 +c2*e_2_1_1&
101751
101752 )
101753 e_3_2_1 = zeta*( c1*e_2_1_1 &
101754
101755
101756 )
101757 e_0_3_1 = zeta*( &
101758 +c2*e_0_2_1&
101759 +2*e_1_2_1 &
101760 -4*e_0_1_1)
101761 e_1_3_1 = zeta*( c1*e_0_2_1 &
101762 +c2*e_1_2_1&
101763 +4*e_2_2_1 &
101764 -4*e_1_1_1)
101765 e_2_3_1 = zeta*( c1*e_1_2_1 &
101766 +c2*e_2_2_1&
101767 +6*e_3_2_1 &
101768 -4*e_2_1_1)
101769 e_3_3_1 = zeta*( c1*e_2_2_1 &
101770 +c2*e_3_2_1&
101771
101772 )
101773 e_4_3_1 = zeta*( c1*e_3_2_1 &
101774
101775
101776 )
101777 e_0_4_1 = zeta*( &
101778 +c2*e_0_3_1&
101779 +2*e_1_3_1 &
101780 -6*e_0_2_1)
101781 e_1_4_1 = zeta*( c1*e_0_3_1 &
101782 +c2*e_1_3_1&
101783 +4*e_2_3_1 &
101784 -6*e_1_2_1)
101785 e_2_4_1 = zeta*( c1*e_1_3_1 &
101786 +c2*e_2_3_1&
101787 +6*e_3_3_1 &
101788 -6*e_2_2_1)
101789 e_3_4_1 = zeta*( c1*e_2_3_1 &
101790 +c2*e_3_3_1&
101791 +8*e_4_3_1 &
101792 -6*e_3_2_1)
101793 e_4_4_1 = zeta*( c1*e_3_3_1 &
101794 +c2*e_4_3_1&
101795
101796 )
101797 e_5_4_1 = zeta*( c1*e_4_3_1 &
101798
101799
101800 )
101801
101802 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
101803 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
101804 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
101805 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
101806 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
101807 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101808 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
101809 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
101810 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101811 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101812 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
101813 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
101814 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101815 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101816 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101817 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
101818 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
101819 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
101820 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
101821 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101822 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
101823 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
101824 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101825 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101826 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
101827 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
101828 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101829 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101830 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101831 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
101832 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
101833 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101834 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101835 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101836 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101837 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
101838 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
101839 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
101840 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
101841 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
101842 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
101843 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
101844 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
101845 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
101846 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
101847 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
101848 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
101849 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
101850 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
101851 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
101852 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
101853 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
101854 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
101855 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
101856 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
101857 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
101858 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
101859 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
101860 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
101861 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
101862 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
101863 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
101864 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
101865 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
101866 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
101867 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
101868 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
101869 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
101870 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
101871 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
101872 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
101873 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
101874 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
101875 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101876 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
101877 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
101878 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101879 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101880 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
101881 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
101882 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101883 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101884 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101885 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
101886 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
101887 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
101888 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
101889 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101890 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
101891 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
101892 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101893 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101894 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
101895 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
101896 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101897 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101898 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101899 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
101900 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
101901 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101902 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101903 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101904 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101905 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
101906 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
101907 r1 = r1 + dr
101908 END DO
101909
101910 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
101911 END SUBROUTINE
101912 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_3_exp_1 ( &
101913 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
101914 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
101915 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
101916 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
101917 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
101918 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
101919 r_pow_t, r_tmp, rr1_delta, rr2_delta
101920
101921 REAL(kind=dp) :: c1, c2, c3
101922 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
101923 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
101924 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
101925 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
101926 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
101927 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
101928 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
101929 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
101930 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
101931 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
101932
101933 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101934
101935 dr = lgth
101936 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101937
101938 s_r(:, :, :) = 0.0_dp
101939
101940 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101941
101942 h_to_c_0_0 = sqrt(alpha/pi)
101943
101944 h_to_c_0_1 = 0.0_dp
101945 h_to_c_1_1 = +2*alpha*h_to_c_0_0
101946 h_to_c_0_2 = -1*h_to_c_1_1
101947 h_to_c_1_2 = +2*alpha*h_to_c_0_1
101948 h_to_c_2_2 = +2*alpha*h_to_c_1_1
101949 h_to_c_0_3 = -1*h_to_c_1_2
101950 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101951 h_to_c_2_3 = +2*alpha*h_to_c_1_2
101952 h_to_c_3_3 = +2*alpha*h_to_c_2_2
101953 h_to_c_0_4 = -1*h_to_c_1_3
101954 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101955 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101956 h_to_c_3_4 = +2*alpha*h_to_c_2_3
101957 h_to_c_4_4 = +2*alpha*h_to_c_3_3
101958 h_to_c_0_5 = -1*h_to_c_1_4
101959 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101960 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101961 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101962 h_to_c_4_5 = +2*alpha*h_to_c_3_4
101963 h_to_c_5_5 = +2*alpha*h_to_c_4_4
101964 h_to_c_0_6 = -1*h_to_c_1_5
101965 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101966 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101967 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101968 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101969 h_to_c_5_6 = +2*alpha*h_to_c_4_5
101970 h_to_c_6_6 = +2*alpha*h_to_c_5_5
101971 h_to_c_0_7 = -1*h_to_c_1_6
101972 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
101973 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
101974 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
101975 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
101976 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
101977 h_to_c_6_7 = +2*alpha*h_to_c_5_6
101978 h_to_c_7_7 = +2*alpha*h_to_c_6_6
101979 h_to_c_0_8 = -1*h_to_c_1_7
101980 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
101981 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
101982 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
101983 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
101984 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
101985 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
101986 h_to_c_7_8 = +2*alpha*h_to_c_6_7
101987 h_to_c_8_8 = +2*alpha*h_to_c_7_7
101988
101989 exp_drsq = exp(-alpha*dr*dr)
101990 exp_2drsq = exp_drsq*exp_drsq
101991
101992 rr1_delta = (ra - rb)/dr
101993
101994 rr1_l = ceiling(-r_c(1) + rr1_delta)
101995 rr1_r = floor(r_c(1) + rr1_delta)
101996
101997 r1 = rr1_l*dr
101998
101999 alpha_e = zeta*zetb/(zeta + zetb)
102000
102001 DO rr1 = rr1_l, rr1_r
102002 s_r_t_0 = 0.0_dp
102003 s_r_t2_0 = 0.0_dp
102004 s_r_t_1 = 0.0_dp
102005 s_r_t2_1 = 0.0_dp
102006 s_r_t_2 = 0.0_dp
102007 s_r_t2_2 = 0.0_dp
102008 s_r_t_3 = 0.0_dp
102009 s_r_t2_3 = 0.0_dp
102010 s_r_t_4 = 0.0_dp
102011 s_r_t2_4 = 0.0_dp
102012 s_r_t_5 = 0.0_dp
102013 s_r_t2_5 = 0.0_dp
102014 s_r_t_6 = 0.0_dp
102015 s_r_t2_6 = 0.0_dp
102016 s_r_t_7 = 0.0_dp
102017 s_r_t2_7 = 0.0_dp
102018 s_r_t_8 = 0.0_dp
102019 s_r_t2_8 = 0.0_dp
102020 r_tmp = r_offset + r1*zeta/(zeta + zetb)
102021 rr2_delta = -r_tmp/dr
102022
102023 rr2_l = ceiling(-r_c(2) + rr2_delta)
102024 rr2_r = floor(r_c(2) + rr2_delta)
102025
102026 r = r_tmp + (rr2_l)*dr
102027
102028 exp2_2rdr = exp(-2*alpha*r*dr)
102029 exp2_rsq = exp(-alpha*r*r)
102030
102031 DO rr2 = rr2_l, rr2_r
102032 r_pow_t = 1.0_dp
102033 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
102034 r_pow_t = r_pow_t*r
102035 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
102036 r_pow_t = r_pow_t*r
102037 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
102038 r_pow_t = r_pow_t*r
102039 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
102040 r_pow_t = r_pow_t*r
102041 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
102042 r_pow_t = r_pow_t*r
102043 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
102044 r_pow_t = r_pow_t*r
102045 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
102046 r_pow_t = r_pow_t*r
102047 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
102048 r_pow_t = r_pow_t*r
102049 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
102050
102051 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
102052 exp2_2rdr = exp2_2rdr*exp_2drsq
102053 r = r + dr
102054 END DO
102055
102056 ! C --> H
102057 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
102058 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
102059 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
102060 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
102061 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
102062 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
102063 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
102064 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
102065 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
102066 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
102067 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
102068 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
102069 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
102070 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
102071 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
102072 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
102073 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
102074 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
102075 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
102076 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
102077 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
102078 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
102079 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
102080 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
102081 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
102082 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
102083 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
102084 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
102085 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
102086 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
102087 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
102088 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
102089 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
102090 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
102091 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
102092 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
102093 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
102094 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
102095 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
102096 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
102097 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
102098 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
102099 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
102100 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
102101 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
102102
102103 ! H --> HH
102104 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
102105
102106 c1 = 1.0_dp/(zeta + zetb)
102107 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
102108 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
102109
102110 e_0_1_0 = zeta*( &
102111 +c2*e_0_0_0&
102112
102113 )
102114 e_0_0_1 = zetb*( &
102115 +c3*e_0_0_0&
102116
102117 )
102118 e_1_1_0 = zeta*( c1*e_0_0_0 &
102119
102120
102121 )
102122 e_1_0_1 = zetb*( c1*e_0_0_0 &
102123
102124
102125 )
102126 e_0_2_0 = zeta*( &
102127 +c2*e_0_1_0&
102128 +2*e_1_1_0 &
102129 -2*e_0_0_0)
102130 e_0_1_1 = zetb*( &
102131 +c3*e_0_1_0&
102132 +2*e_1_1_0 &
102133 )
102134 e_1_2_0 = zeta*( c1*e_0_1_0 &
102135 +c2*e_1_1_0&
102136
102137 )
102138 e_1_1_1 = zetb*( c1*e_0_1_0 &
102139 +c3*e_1_1_0&
102140
102141 )
102142 e_2_2_0 = zeta*( c1*e_1_1_0 &
102143
102144
102145 )
102146 e_2_1_1 = zetb*( c1*e_1_1_0 &
102147
102148
102149 )
102150 e_0_3_0 = zeta*( &
102151 +c2*e_0_2_0&
102152 +2*e_1_2_0 &
102153 -4*e_0_1_0)
102154 e_0_2_1 = zetb*( &
102155 +c3*e_0_2_0&
102156 +2*e_1_2_0 &
102157 )
102158 e_1_3_0 = zeta*( c1*e_0_2_0 &
102159 +c2*e_1_2_0&
102160 +4*e_2_2_0 &
102161 -4*e_1_1_0)
102162 e_1_2_1 = zetb*( c1*e_0_2_0 &
102163 +c3*e_1_2_0&
102164 +4*e_2_2_0 &
102165 )
102166 e_2_3_0 = zeta*( c1*e_1_2_0 &
102167 +c2*e_2_2_0&
102168
102169 )
102170 e_2_2_1 = zetb*( c1*e_1_2_0 &
102171 +c3*e_2_2_0&
102172
102173 )
102174 e_3_3_0 = zeta*( c1*e_2_2_0 &
102175
102176
102177 )
102178 e_3_2_1 = zetb*( c1*e_2_2_0 &
102179
102180
102181 )
102182 e_0_4_0 = zeta*( &
102183 +c2*e_0_3_0&
102184 +2*e_1_3_0 &
102185 -6*e_0_2_0)
102186 e_0_3_1 = zetb*( &
102187 +c3*e_0_3_0&
102188 +2*e_1_3_0 &
102189 )
102190 e_1_4_0 = zeta*( c1*e_0_3_0 &
102191 +c2*e_1_3_0&
102192 +4*e_2_3_0 &
102193 -6*e_1_2_0)
102194 e_1_3_1 = zetb*( c1*e_0_3_0 &
102195 +c3*e_1_3_0&
102196 +4*e_2_3_0 &
102197 )
102198 e_2_4_0 = zeta*( c1*e_1_3_0 &
102199 +c2*e_2_3_0&
102200 +6*e_3_3_0 &
102201 -6*e_2_2_0)
102202 e_2_3_1 = zetb*( c1*e_1_3_0 &
102203 +c3*e_2_3_0&
102204 +6*e_3_3_0 &
102205 )
102206 e_3_4_0 = zeta*( c1*e_2_3_0 &
102207 +c2*e_3_3_0&
102208
102209 )
102210 e_3_3_1 = zetb*( c1*e_2_3_0 &
102211 +c3*e_3_3_0&
102212
102213 )
102214 e_4_4_0 = zeta*( c1*e_3_3_0 &
102215
102216
102217 )
102218 e_4_3_1 = zetb*( c1*e_3_3_0 &
102219
102220
102221 )
102222 e_0_4_1 = zetb*( &
102223 +c3*e_0_4_0&
102224 +2*e_1_4_0 &
102225 )
102226 e_1_4_1 = zetb*( c1*e_0_4_0 &
102227 +c3*e_1_4_0&
102228 +4*e_2_4_0 &
102229 )
102230 e_2_4_1 = zetb*( c1*e_1_4_0 &
102231 +c3*e_2_4_0&
102232 +6*e_3_4_0 &
102233 )
102234 e_3_4_1 = zetb*( c1*e_2_4_0 &
102235 +c3*e_3_4_0&
102236 +8*e_4_4_0 &
102237 )
102238 e_4_4_1 = zetb*( c1*e_3_4_0 &
102239 +c3*e_4_4_0&
102240
102241 )
102242 e_5_4_1 = zetb*( c1*e_4_4_0 &
102243
102244
102245 )
102246 e_0_1_1 = zeta*( &
102247 +c2*e_0_0_1&
102248 +2*e_1_0_1 &
102249 )
102250 e_1_1_1 = zeta*( c1*e_0_0_1 &
102251 +c2*e_1_0_1&
102252
102253 )
102254 e_2_1_1 = zeta*( c1*e_1_0_1 &
102255
102256
102257 )
102258 e_0_2_1 = zeta*( &
102259 +c2*e_0_1_1&
102260 +2*e_1_1_1 &
102261 -2*e_0_0_1)
102262 e_1_2_1 = zeta*( c1*e_0_1_1 &
102263 +c2*e_1_1_1&
102264 +4*e_2_1_1 &
102265 -2*e_1_0_1)
102266 e_2_2_1 = zeta*( c1*e_1_1_1 &
102267 +c2*e_2_1_1&
102268
102269 )
102270 e_3_2_1 = zeta*( c1*e_2_1_1 &
102271
102272
102273 )
102274 e_0_3_1 = zeta*( &
102275 +c2*e_0_2_1&
102276 +2*e_1_2_1 &
102277 -4*e_0_1_1)
102278 e_1_3_1 = zeta*( c1*e_0_2_1 &
102279 +c2*e_1_2_1&
102280 +4*e_2_2_1 &
102281 -4*e_1_1_1)
102282 e_2_3_1 = zeta*( c1*e_1_2_1 &
102283 +c2*e_2_2_1&
102284 +6*e_3_2_1 &
102285 -4*e_2_1_1)
102286 e_3_3_1 = zeta*( c1*e_2_2_1 &
102287 +c2*e_3_2_1&
102288
102289 )
102290 e_4_3_1 = zeta*( c1*e_3_2_1 &
102291
102292
102293 )
102294 e_0_4_1 = zeta*( &
102295 +c2*e_0_3_1&
102296 +2*e_1_3_1 &
102297 -6*e_0_2_1)
102298 e_1_4_1 = zeta*( c1*e_0_3_1 &
102299 +c2*e_1_3_1&
102300 +4*e_2_3_1 &
102301 -6*e_1_2_1)
102302 e_2_4_1 = zeta*( c1*e_1_3_1 &
102303 +c2*e_2_3_1&
102304 +6*e_3_3_1 &
102305 -6*e_2_2_1)
102306 e_3_4_1 = zeta*( c1*e_2_3_1 &
102307 +c2*e_3_3_1&
102308 +8*e_4_3_1 &
102309 -6*e_3_2_1)
102310 e_4_4_1 = zeta*( c1*e_3_3_1 &
102311 +c2*e_4_3_1&
102312
102313 )
102314 e_5_4_1 = zeta*( c1*e_4_3_1 &
102315
102316
102317 )
102318
102319 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
102320 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
102321 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
102322 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
102323 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
102324 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102325 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
102326 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
102327 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102328 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102329 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
102330 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
102331 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102332 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102333 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102334 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
102335 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
102336 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
102337 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
102338 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102339 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
102340 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
102341 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102342 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102343 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
102344 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
102345 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102346 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102347 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102348 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
102349 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
102350 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102351 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102352 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102353 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102354 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
102355 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
102356 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
102357 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
102358 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
102359 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102360 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
102361 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
102362 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102363 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102364 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
102365 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
102366 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102367 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102368 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102369 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
102370 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
102371 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
102372 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
102373 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102374 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
102375 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
102376 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102377 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102378 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
102379 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
102380 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102381 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102382 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102383 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
102384 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
102385 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102386 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102387 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102388 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102389 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
102390 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
102391 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
102392 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102393 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
102394 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
102395 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102396 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102397 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
102398 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
102399 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102400 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102401 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102402 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
102403 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
102404 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
102405 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
102406 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102407 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
102408 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
102409 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102410 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102411 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
102412 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
102413 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102414 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102415 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102416 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
102417 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
102418 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102419 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102420 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102421 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102422 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
102423 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
102424 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
102425 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
102426 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
102427 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102428 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
102429 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
102430 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102431 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102432 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
102433 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
102434 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102435 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102436 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102437 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
102438 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
102439 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
102440 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
102441 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102442 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
102443 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
102444 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102445 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102446 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
102447 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
102448 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102449 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102450 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102451 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
102452 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
102453 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102454 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102455 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102456 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102457 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
102458 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
102459 r1 = r1 + dr
102460 END DO
102461
102462 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
102463 END SUBROUTINE
102464 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_4_exp_1 ( &
102465 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
102466 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
102467 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
102468 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
102469 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
102470 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
102471 r_pow_t, r_tmp, rr1_delta, rr2_delta
102472
102473 REAL(kind=dp) :: c1, c2, c3
102474 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
102475 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
102476 & s_r_t2_9
102477 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
102478 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
102479 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
102480 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
102481 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
102482 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
102483 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
102484 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
102485 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
102486
102487 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
102488
102489 dr = lgth
102490 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
102491
102492 s_r(:, :, :) = 0.0_dp
102493
102494 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
102495
102496 h_to_c_0_0 = sqrt(alpha/pi)
102497
102498 h_to_c_0_1 = 0.0_dp
102499 h_to_c_1_1 = +2*alpha*h_to_c_0_0
102500 h_to_c_0_2 = -1*h_to_c_1_1
102501 h_to_c_1_2 = +2*alpha*h_to_c_0_1
102502 h_to_c_2_2 = +2*alpha*h_to_c_1_1
102503 h_to_c_0_3 = -1*h_to_c_1_2
102504 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
102505 h_to_c_2_3 = +2*alpha*h_to_c_1_2
102506 h_to_c_3_3 = +2*alpha*h_to_c_2_2
102507 h_to_c_0_4 = -1*h_to_c_1_3
102508 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
102509 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
102510 h_to_c_3_4 = +2*alpha*h_to_c_2_3
102511 h_to_c_4_4 = +2*alpha*h_to_c_3_3
102512 h_to_c_0_5 = -1*h_to_c_1_4
102513 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
102514 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
102515 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
102516 h_to_c_4_5 = +2*alpha*h_to_c_3_4
102517 h_to_c_5_5 = +2*alpha*h_to_c_4_4
102518 h_to_c_0_6 = -1*h_to_c_1_5
102519 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
102520 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
102521 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
102522 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
102523 h_to_c_5_6 = +2*alpha*h_to_c_4_5
102524 h_to_c_6_6 = +2*alpha*h_to_c_5_5
102525 h_to_c_0_7 = -1*h_to_c_1_6
102526 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
102527 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
102528 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
102529 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
102530 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
102531 h_to_c_6_7 = +2*alpha*h_to_c_5_6
102532 h_to_c_7_7 = +2*alpha*h_to_c_6_6
102533 h_to_c_0_8 = -1*h_to_c_1_7
102534 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
102535 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
102536 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
102537 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
102538 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
102539 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
102540 h_to_c_7_8 = +2*alpha*h_to_c_6_7
102541 h_to_c_8_8 = +2*alpha*h_to_c_7_7
102542 h_to_c_0_9 = -1*h_to_c_1_8
102543 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
102544 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
102545 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
102546 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
102547 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
102548 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
102549 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
102550 h_to_c_8_9 = +2*alpha*h_to_c_7_8
102551 h_to_c_9_9 = +2*alpha*h_to_c_8_8
102552
102553 exp_drsq = exp(-alpha*dr*dr)
102554 exp_2drsq = exp_drsq*exp_drsq
102555
102556 rr1_delta = (ra - rb)/dr
102557
102558 rr1_l = ceiling(-r_c(1) + rr1_delta)
102559 rr1_r = floor(r_c(1) + rr1_delta)
102560
102561 r1 = rr1_l*dr
102562
102563 alpha_e = zeta*zetb/(zeta + zetb)
102564
102565 DO rr1 = rr1_l, rr1_r
102566 s_r_t_0 = 0.0_dp
102567 s_r_t2_0 = 0.0_dp
102568 s_r_t_1 = 0.0_dp
102569 s_r_t2_1 = 0.0_dp
102570 s_r_t_2 = 0.0_dp
102571 s_r_t2_2 = 0.0_dp
102572 s_r_t_3 = 0.0_dp
102573 s_r_t2_3 = 0.0_dp
102574 s_r_t_4 = 0.0_dp
102575 s_r_t2_4 = 0.0_dp
102576 s_r_t_5 = 0.0_dp
102577 s_r_t2_5 = 0.0_dp
102578 s_r_t_6 = 0.0_dp
102579 s_r_t2_6 = 0.0_dp
102580 s_r_t_7 = 0.0_dp
102581 s_r_t2_7 = 0.0_dp
102582 s_r_t_8 = 0.0_dp
102583 s_r_t2_8 = 0.0_dp
102584 s_r_t_9 = 0.0_dp
102585 s_r_t2_9 = 0.0_dp
102586 r_tmp = r_offset + r1*zeta/(zeta + zetb)
102587 rr2_delta = -r_tmp/dr
102588
102589 rr2_l = ceiling(-r_c(2) + rr2_delta)
102590 rr2_r = floor(r_c(2) + rr2_delta)
102591
102592 r = r_tmp + (rr2_l)*dr
102593
102594 exp2_2rdr = exp(-2*alpha*r*dr)
102595 exp2_rsq = exp(-alpha*r*r)
102596
102597 DO rr2 = rr2_l, rr2_r
102598 r_pow_t = 1.0_dp
102599 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
102600 r_pow_t = r_pow_t*r
102601 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
102602 r_pow_t = r_pow_t*r
102603 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
102604 r_pow_t = r_pow_t*r
102605 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
102606 r_pow_t = r_pow_t*r
102607 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
102608 r_pow_t = r_pow_t*r
102609 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
102610 r_pow_t = r_pow_t*r
102611 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
102612 r_pow_t = r_pow_t*r
102613 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
102614 r_pow_t = r_pow_t*r
102615 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
102616 r_pow_t = r_pow_t*r
102617 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
102618
102619 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
102620 exp2_2rdr = exp2_2rdr*exp_2drsq
102621 r = r + dr
102622 END DO
102623
102624 ! C --> H
102625 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
102626 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
102627 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
102628 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
102629 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
102630 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
102631 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
102632 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
102633 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
102634 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
102635 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
102636 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
102637 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
102638 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
102639 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
102640 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
102641 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
102642 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
102643 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
102644 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
102645 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
102646 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
102647 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
102648 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
102649 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
102650 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
102651 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
102652 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
102653 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
102654 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
102655 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
102656 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
102657 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
102658 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
102659 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
102660 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
102661 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
102662 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
102663 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
102664 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
102665 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
102666 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
102667 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
102668 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
102669 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
102670 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
102671 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
102672 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
102673 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
102674 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
102675 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
102676 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
102677 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
102678 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
102679 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
102680
102681 ! H --> HH
102682 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
102683
102684 c1 = 1.0_dp/(zeta + zetb)
102685 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
102686 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
102687
102688 e_0_1_0 = zeta*( &
102689 +c2*e_0_0_0&
102690
102691 )
102692 e_0_0_1 = zetb*( &
102693 +c3*e_0_0_0&
102694
102695 )
102696 e_1_1_0 = zeta*( c1*e_0_0_0 &
102697
102698
102699 )
102700 e_1_0_1 = zetb*( c1*e_0_0_0 &
102701
102702
102703 )
102704 e_0_2_0 = zeta*( &
102705 +c2*e_0_1_0&
102706 +2*e_1_1_0 &
102707 -2*e_0_0_0)
102708 e_0_1_1 = zetb*( &
102709 +c3*e_0_1_0&
102710 +2*e_1_1_0 &
102711 )
102712 e_1_2_0 = zeta*( c1*e_0_1_0 &
102713 +c2*e_1_1_0&
102714
102715 )
102716 e_1_1_1 = zetb*( c1*e_0_1_0 &
102717 +c3*e_1_1_0&
102718
102719 )
102720 e_2_2_0 = zeta*( c1*e_1_1_0 &
102721
102722
102723 )
102724 e_2_1_1 = zetb*( c1*e_1_1_0 &
102725
102726
102727 )
102728 e_0_3_0 = zeta*( &
102729 +c2*e_0_2_0&
102730 +2*e_1_2_0 &
102731 -4*e_0_1_0)
102732 e_0_2_1 = zetb*( &
102733 +c3*e_0_2_0&
102734 +2*e_1_2_0 &
102735 )
102736 e_1_3_0 = zeta*( c1*e_0_2_0 &
102737 +c2*e_1_2_0&
102738 +4*e_2_2_0 &
102739 -4*e_1_1_0)
102740 e_1_2_1 = zetb*( c1*e_0_2_0 &
102741 +c3*e_1_2_0&
102742 +4*e_2_2_0 &
102743 )
102744 e_2_3_0 = zeta*( c1*e_1_2_0 &
102745 +c2*e_2_2_0&
102746
102747 )
102748 e_2_2_1 = zetb*( c1*e_1_2_0 &
102749 +c3*e_2_2_0&
102750
102751 )
102752 e_3_3_0 = zeta*( c1*e_2_2_0 &
102753
102754
102755 )
102756 e_3_2_1 = zetb*( c1*e_2_2_0 &
102757
102758
102759 )
102760 e_0_4_0 = zeta*( &
102761 +c2*e_0_3_0&
102762 +2*e_1_3_0 &
102763 -6*e_0_2_0)
102764 e_0_3_1 = zetb*( &
102765 +c3*e_0_3_0&
102766 +2*e_1_3_0 &
102767 )
102768 e_1_4_0 = zeta*( c1*e_0_3_0 &
102769 +c2*e_1_3_0&
102770 +4*e_2_3_0 &
102771 -6*e_1_2_0)
102772 e_1_3_1 = zetb*( c1*e_0_3_0 &
102773 +c3*e_1_3_0&
102774 +4*e_2_3_0 &
102775 )
102776 e_2_4_0 = zeta*( c1*e_1_3_0 &
102777 +c2*e_2_3_0&
102778 +6*e_3_3_0 &
102779 -6*e_2_2_0)
102780 e_2_3_1 = zetb*( c1*e_1_3_0 &
102781 +c3*e_2_3_0&
102782 +6*e_3_3_0 &
102783 )
102784 e_3_4_0 = zeta*( c1*e_2_3_0 &
102785 +c2*e_3_3_0&
102786
102787 )
102788 e_3_3_1 = zetb*( c1*e_2_3_0 &
102789 +c3*e_3_3_0&
102790
102791 )
102792 e_4_4_0 = zeta*( c1*e_3_3_0 &
102793
102794
102795 )
102796 e_4_3_1 = zetb*( c1*e_3_3_0 &
102797
102798
102799 )
102800 e_0_4_1 = zetb*( &
102801 +c3*e_0_4_0&
102802 +2*e_1_4_0 &
102803 )
102804 e_1_4_1 = zetb*( c1*e_0_4_0 &
102805 +c3*e_1_4_0&
102806 +4*e_2_4_0 &
102807 )
102808 e_2_4_1 = zetb*( c1*e_1_4_0 &
102809 +c3*e_2_4_0&
102810 +6*e_3_4_0 &
102811 )
102812 e_3_4_1 = zetb*( c1*e_2_4_0 &
102813 +c3*e_3_4_0&
102814 +8*e_4_4_0 &
102815 )
102816 e_4_4_1 = zetb*( c1*e_3_4_0 &
102817 +c3*e_4_4_0&
102818
102819 )
102820 e_5_4_1 = zetb*( c1*e_4_4_0 &
102821
102822
102823 )
102824 e_0_1_1 = zeta*( &
102825 +c2*e_0_0_1&
102826 +2*e_1_0_1 &
102827 )
102828 e_1_1_1 = zeta*( c1*e_0_0_1 &
102829 +c2*e_1_0_1&
102830
102831 )
102832 e_2_1_1 = zeta*( c1*e_1_0_1 &
102833
102834
102835 )
102836 e_0_2_1 = zeta*( &
102837 +c2*e_0_1_1&
102838 +2*e_1_1_1 &
102839 -2*e_0_0_1)
102840 e_1_2_1 = zeta*( c1*e_0_1_1 &
102841 +c2*e_1_1_1&
102842 +4*e_2_1_1 &
102843 -2*e_1_0_1)
102844 e_2_2_1 = zeta*( c1*e_1_1_1 &
102845 +c2*e_2_1_1&
102846
102847 )
102848 e_3_2_1 = zeta*( c1*e_2_1_1 &
102849
102850
102851 )
102852 e_0_3_1 = zeta*( &
102853 +c2*e_0_2_1&
102854 +2*e_1_2_1 &
102855 -4*e_0_1_1)
102856 e_1_3_1 = zeta*( c1*e_0_2_1 &
102857 +c2*e_1_2_1&
102858 +4*e_2_2_1 &
102859 -4*e_1_1_1)
102860 e_2_3_1 = zeta*( c1*e_1_2_1 &
102861 +c2*e_2_2_1&
102862 +6*e_3_2_1 &
102863 -4*e_2_1_1)
102864 e_3_3_1 = zeta*( c1*e_2_2_1 &
102865 +c2*e_3_2_1&
102866
102867 )
102868 e_4_3_1 = zeta*( c1*e_3_2_1 &
102869
102870
102871 )
102872 e_0_4_1 = zeta*( &
102873 +c2*e_0_3_1&
102874 +2*e_1_3_1 &
102875 -6*e_0_2_1)
102876 e_1_4_1 = zeta*( c1*e_0_3_1 &
102877 +c2*e_1_3_1&
102878 +4*e_2_3_1 &
102879 -6*e_1_2_1)
102880 e_2_4_1 = zeta*( c1*e_1_3_1 &
102881 +c2*e_2_3_1&
102882 +6*e_3_3_1 &
102883 -6*e_2_2_1)
102884 e_3_4_1 = zeta*( c1*e_2_3_1 &
102885 +c2*e_3_3_1&
102886 +8*e_4_3_1 &
102887 -6*e_3_2_1)
102888 e_4_4_1 = zeta*( c1*e_3_3_1 &
102889 +c2*e_4_3_1&
102890
102891 )
102892 e_5_4_1 = zeta*( c1*e_4_3_1 &
102893
102894
102895 )
102896
102897 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
102898 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
102899 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
102900 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
102901 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
102902 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102903 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
102904 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
102905 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102906 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102907 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
102908 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
102909 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102910 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102911 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102912 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
102913 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
102914 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
102915 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
102916 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102917 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
102918 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
102919 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102920 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102921 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
102922 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
102923 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102924 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102925 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102926 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
102927 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
102928 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102929 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102930 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102931 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102932 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
102933 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
102934 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
102935 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
102936 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
102937 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102938 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
102939 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
102940 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102941 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102942 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
102943 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
102944 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102945 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102946 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102947 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
102948 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
102949 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
102950 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
102951 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102952 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
102953 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
102954 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102955 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102956 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
102957 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
102958 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102959 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102960 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102961 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
102962 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
102963 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102964 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102965 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102966 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102967 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
102968 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
102969 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
102970 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102971 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
102972 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
102973 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102974 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102975 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
102976 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
102977 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102978 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102979 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102980 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
102981 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
102982 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
102983 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
102984 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102985 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
102986 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
102987 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102988 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102989 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
102990 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
102991 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102992 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102993 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102994 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
102995 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
102996 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102997 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102998 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102999 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103000 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
103001 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
103002 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
103003 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
103004 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
103005 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
103006 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
103007 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
103008 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
103009 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
103010 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
103011 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
103012 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
103013 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
103014 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
103015 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
103016 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
103017 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
103018 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
103019 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
103020 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
103021 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
103022 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
103023 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
103024 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
103025 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
103026 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
103027 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
103028 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
103029 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
103030 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
103031 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
103032 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
103033 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
103034 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
103035 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
103036 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
103037 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
103038 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
103039 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
103040 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
103041 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
103042 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
103043 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
103044 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
103045 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
103046 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
103047 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
103048 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
103049 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
103050 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
103051 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
103052 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
103053 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
103054 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
103055 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
103056 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
103057 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
103058 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
103059 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
103060 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
103061 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
103062 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
103063 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
103064 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
103065 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
103066 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
103067 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103068 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
103069 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
103070 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
103071 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
103072 r1 = r1 + dr
103073 END DO
103074
103075 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
103076 END SUBROUTINE
103077 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_0_exp_1 ( &
103078 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
103079 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
103080 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
103081 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
103082 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
103083 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
103084 r_pow_t, r_tmp, rr1_delta, rr2_delta
103085
103086 REAL(kind=dp) :: c1, c2, c3
103087 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
103088 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
103089 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
103090 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
103091 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
103092 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
103093 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
103094 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
103095 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
103096 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
103097
103098 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
103099
103100 dr = lgth
103101 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
103102
103103 s_r(:, :, :) = 0.0_dp
103104
103105 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
103106
103107 h_to_c_0_0 = sqrt(alpha/pi)
103108
103109 h_to_c_0_1 = 0.0_dp
103110 h_to_c_1_1 = +2*alpha*h_to_c_0_0
103111 h_to_c_0_2 = -1*h_to_c_1_1
103112 h_to_c_1_2 = +2*alpha*h_to_c_0_1
103113 h_to_c_2_2 = +2*alpha*h_to_c_1_1
103114 h_to_c_0_3 = -1*h_to_c_1_2
103115 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
103116 h_to_c_2_3 = +2*alpha*h_to_c_1_2
103117 h_to_c_3_3 = +2*alpha*h_to_c_2_2
103118 h_to_c_0_4 = -1*h_to_c_1_3
103119 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
103120 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
103121 h_to_c_3_4 = +2*alpha*h_to_c_2_3
103122 h_to_c_4_4 = +2*alpha*h_to_c_3_3
103123 h_to_c_0_5 = -1*h_to_c_1_4
103124 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
103125 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
103126 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
103127 h_to_c_4_5 = +2*alpha*h_to_c_3_4
103128 h_to_c_5_5 = +2*alpha*h_to_c_4_4
103129 h_to_c_0_6 = -1*h_to_c_1_5
103130 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
103131 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
103132 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
103133 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
103134 h_to_c_5_6 = +2*alpha*h_to_c_4_5
103135 h_to_c_6_6 = +2*alpha*h_to_c_5_5
103136
103137 exp_drsq = exp(-alpha*dr*dr)
103138 exp_2drsq = exp_drsq*exp_drsq
103139
103140 rr1_delta = (ra - rb)/dr
103141
103142 rr1_l = ceiling(-r_c(1) + rr1_delta)
103143 rr1_r = floor(r_c(1) + rr1_delta)
103144
103145 r1 = rr1_l*dr
103146
103147 alpha_e = zeta*zetb/(zeta + zetb)
103148
103149 DO rr1 = rr1_l, rr1_r
103150 s_r_t_0 = 0.0_dp
103151 s_r_t2_0 = 0.0_dp
103152 s_r_t_1 = 0.0_dp
103153 s_r_t2_1 = 0.0_dp
103154 s_r_t_2 = 0.0_dp
103155 s_r_t2_2 = 0.0_dp
103156 s_r_t_3 = 0.0_dp
103157 s_r_t2_3 = 0.0_dp
103158 s_r_t_4 = 0.0_dp
103159 s_r_t2_4 = 0.0_dp
103160 s_r_t_5 = 0.0_dp
103161 s_r_t2_5 = 0.0_dp
103162 s_r_t_6 = 0.0_dp
103163 s_r_t2_6 = 0.0_dp
103164 r_tmp = r_offset + r1*zeta/(zeta + zetb)
103165 rr2_delta = -r_tmp/dr
103166
103167 rr2_l = ceiling(-r_c(2) + rr2_delta)
103168 rr2_r = floor(r_c(2) + rr2_delta)
103169
103170 r = r_tmp + (rr2_l)*dr
103171
103172 exp2_2rdr = exp(-2*alpha*r*dr)
103173 exp2_rsq = exp(-alpha*r*r)
103174
103175 DO rr2 = rr2_l, rr2_r
103176 r_pow_t = 1.0_dp
103177 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
103178 r_pow_t = r_pow_t*r
103179 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
103180 r_pow_t = r_pow_t*r
103181 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
103182 r_pow_t = r_pow_t*r
103183 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
103184 r_pow_t = r_pow_t*r
103185 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
103186 r_pow_t = r_pow_t*r
103187 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
103188 r_pow_t = r_pow_t*r
103189 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
103190
103191 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
103192 exp2_2rdr = exp2_2rdr*exp_2drsq
103193 r = r + dr
103194 END DO
103195
103196 ! C --> H
103197 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
103198 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
103199 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
103200 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
103201 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
103202 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
103203 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
103204 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
103205 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
103206 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
103207 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
103208 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
103209 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
103210 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
103211 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
103212 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
103213 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
103214 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
103215 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
103216 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
103217 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
103218 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
103219 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
103220 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
103221 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
103222 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
103223 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
103224 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
103225
103226 ! H --> HH
103227 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
103228
103229 c1 = 1.0_dp/(zeta + zetb)
103230 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
103231 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
103232
103233 e_0_1_0 = zeta*( &
103234 +c2*e_0_0_0&
103235
103236 )
103237 e_0_0_1 = zetb*( &
103238 +c3*e_0_0_0&
103239
103240 )
103241 e_1_1_0 = zeta*( c1*e_0_0_0 &
103242
103243
103244 )
103245 e_1_0_1 = zetb*( c1*e_0_0_0 &
103246
103247
103248 )
103249 e_0_2_0 = zeta*( &
103250 +c2*e_0_1_0&
103251 +2*e_1_1_0 &
103252 -2*e_0_0_0)
103253 e_0_1_1 = zetb*( &
103254 +c3*e_0_1_0&
103255 +2*e_1_1_0 &
103256 )
103257 e_1_2_0 = zeta*( c1*e_0_1_0 &
103258 +c2*e_1_1_0&
103259
103260 )
103261 e_1_1_1 = zetb*( c1*e_0_1_0 &
103262 +c3*e_1_1_0&
103263
103264 )
103265 e_2_2_0 = zeta*( c1*e_1_1_0 &
103266
103267
103268 )
103269 e_2_1_1 = zetb*( c1*e_1_1_0 &
103270
103271
103272 )
103273 e_0_3_0 = zeta*( &
103274 +c2*e_0_2_0&
103275 +2*e_1_2_0 &
103276 -4*e_0_1_0)
103277 e_0_2_1 = zetb*( &
103278 +c3*e_0_2_0&
103279 +2*e_1_2_0 &
103280 )
103281 e_1_3_0 = zeta*( c1*e_0_2_0 &
103282 +c2*e_1_2_0&
103283 +4*e_2_2_0 &
103284 -4*e_1_1_0)
103285 e_1_2_1 = zetb*( c1*e_0_2_0 &
103286 +c3*e_1_2_0&
103287 +4*e_2_2_0 &
103288 )
103289 e_2_3_0 = zeta*( c1*e_1_2_0 &
103290 +c2*e_2_2_0&
103291
103292 )
103293 e_2_2_1 = zetb*( c1*e_1_2_0 &
103294 +c3*e_2_2_0&
103295
103296 )
103297 e_3_3_0 = zeta*( c1*e_2_2_0 &
103298
103299
103300 )
103301 e_3_2_1 = zetb*( c1*e_2_2_0 &
103302
103303
103304 )
103305 e_0_4_0 = zeta*( &
103306 +c2*e_0_3_0&
103307 +2*e_1_3_0 &
103308 -6*e_0_2_0)
103309 e_0_3_1 = zetb*( &
103310 +c3*e_0_3_0&
103311 +2*e_1_3_0 &
103312 )
103313 e_1_4_0 = zeta*( c1*e_0_3_0 &
103314 +c2*e_1_3_0&
103315 +4*e_2_3_0 &
103316 -6*e_1_2_0)
103317 e_1_3_1 = zetb*( c1*e_0_3_0 &
103318 +c3*e_1_3_0&
103319 +4*e_2_3_0 &
103320 )
103321 e_2_4_0 = zeta*( c1*e_1_3_0 &
103322 +c2*e_2_3_0&
103323 +6*e_3_3_0 &
103324 -6*e_2_2_0)
103325 e_2_3_1 = zetb*( c1*e_1_3_0 &
103326 +c3*e_2_3_0&
103327 +6*e_3_3_0 &
103328 )
103329 e_3_4_0 = zeta*( c1*e_2_3_0 &
103330 +c2*e_3_3_0&
103331
103332 )
103333 e_3_3_1 = zetb*( c1*e_2_3_0 &
103334 +c3*e_3_3_0&
103335
103336 )
103337 e_4_4_0 = zeta*( c1*e_3_3_0 &
103338
103339
103340 )
103341 e_4_3_1 = zetb*( c1*e_3_3_0 &
103342
103343
103344 )
103345 e_0_4_1 = zetb*( &
103346 +c3*e_0_4_0&
103347 +2*e_1_4_0 &
103348 )
103349 e_1_4_1 = zetb*( c1*e_0_4_0 &
103350 +c3*e_1_4_0&
103351 +4*e_2_4_0 &
103352 )
103353 e_2_4_1 = zetb*( c1*e_1_4_0 &
103354 +c3*e_2_4_0&
103355 +6*e_3_4_0 &
103356 )
103357 e_3_4_1 = zetb*( c1*e_2_4_0 &
103358 +c3*e_3_4_0&
103359 +8*e_4_4_0 &
103360 )
103361 e_4_4_1 = zetb*( c1*e_3_4_0 &
103362 +c3*e_4_4_0&
103363
103364 )
103365 e_5_4_1 = zetb*( c1*e_4_4_0 &
103366
103367
103368 )
103369 e_0_1_1 = zeta*( &
103370 +c2*e_0_0_1&
103371 +2*e_1_0_1 &
103372 )
103373 e_0_0_2 = zetb*( &
103374 +c3*e_0_0_1&
103375 +2*e_1_0_1 &
103376 -2*e_0_0_0)
103377 e_1_1_1 = zeta*( c1*e_0_0_1 &
103378 +c2*e_1_0_1&
103379
103380 )
103381 e_1_0_2 = zetb*( c1*e_0_0_1 &
103382 +c3*e_1_0_1&
103383
103384 )
103385 e_2_1_1 = zeta*( c1*e_1_0_1 &
103386
103387
103388 )
103389 e_2_0_2 = zetb*( c1*e_1_0_1 &
103390
103391
103392 )
103393 e_0_2_1 = zeta*( &
103394 +c2*e_0_1_1&
103395 +2*e_1_1_1 &
103396 -2*e_0_0_1)
103397 e_0_1_2 = zetb*( &
103398 +c3*e_0_1_1&
103399 +2*e_1_1_1 &
103400 -2*e_0_1_0)
103401 e_1_2_1 = zeta*( c1*e_0_1_1 &
103402 +c2*e_1_1_1&
103403 +4*e_2_1_1 &
103404 -2*e_1_0_1)
103405 e_1_1_2 = zetb*( c1*e_0_1_1 &
103406 +c3*e_1_1_1&
103407 +4*e_2_1_1 &
103408 -2*e_1_1_0)
103409 e_2_2_1 = zeta*( c1*e_1_1_1 &
103410 +c2*e_2_1_1&
103411
103412 )
103413 e_2_1_2 = zetb*( c1*e_1_1_1 &
103414 +c3*e_2_1_1&
103415
103416 )
103417 e_3_2_1 = zeta*( c1*e_2_1_1 &
103418
103419
103420 )
103421 e_3_1_2 = zetb*( c1*e_2_1_1 &
103422
103423
103424 )
103425 e_0_3_1 = zeta*( &
103426 +c2*e_0_2_1&
103427 +2*e_1_2_1 &
103428 -4*e_0_1_1)
103429 e_0_2_2 = zetb*( &
103430 +c3*e_0_2_1&
103431 +2*e_1_2_1 &
103432 -2*e_0_2_0)
103433 e_1_3_1 = zeta*( c1*e_0_2_1 &
103434 +c2*e_1_2_1&
103435 +4*e_2_2_1 &
103436 -4*e_1_1_1)
103437 e_1_2_2 = zetb*( c1*e_0_2_1 &
103438 +c3*e_1_2_1&
103439 +4*e_2_2_1 &
103440 -2*e_1_2_0)
103441 e_2_3_1 = zeta*( c1*e_1_2_1 &
103442 +c2*e_2_2_1&
103443 +6*e_3_2_1 &
103444 -4*e_2_1_1)
103445 e_2_2_2 = zetb*( c1*e_1_2_1 &
103446 +c3*e_2_2_1&
103447 +6*e_3_2_1 &
103448 -2*e_2_2_0)
103449 e_3_3_1 = zeta*( c1*e_2_2_1 &
103450 +c2*e_3_2_1&
103451
103452 )
103453 e_3_2_2 = zetb*( c1*e_2_2_1 &
103454 +c3*e_3_2_1&
103455
103456 )
103457 e_4_3_1 = zeta*( c1*e_3_2_1 &
103458
103459
103460 )
103461 e_4_2_2 = zetb*( c1*e_3_2_1 &
103462
103463
103464 )
103465 e_0_4_1 = zeta*( &
103466 +c2*e_0_3_1&
103467 +2*e_1_3_1 &
103468 -6*e_0_2_1)
103469 e_0_3_2 = zetb*( &
103470 +c3*e_0_3_1&
103471 +2*e_1_3_1 &
103472 -2*e_0_3_0)
103473 e_1_4_1 = zeta*( c1*e_0_3_1 &
103474 +c2*e_1_3_1&
103475 +4*e_2_3_1 &
103476 -6*e_1_2_1)
103477 e_1_3_2 = zetb*( c1*e_0_3_1 &
103478 +c3*e_1_3_1&
103479 +4*e_2_3_1 &
103480 -2*e_1_3_0)
103481 e_2_4_1 = zeta*( c1*e_1_3_1 &
103482 +c2*e_2_3_1&
103483 +6*e_3_3_1 &
103484 -6*e_2_2_1)
103485 e_2_3_2 = zetb*( c1*e_1_3_1 &
103486 +c3*e_2_3_1&
103487 +6*e_3_3_1 &
103488 -2*e_2_3_0)
103489 e_3_4_1 = zeta*( c1*e_2_3_1 &
103490 +c2*e_3_3_1&
103491 +8*e_4_3_1 &
103492 -6*e_3_2_1)
103493 e_3_3_2 = zetb*( c1*e_2_3_1 &
103494 +c3*e_3_3_1&
103495 +8*e_4_3_1 &
103496 -2*e_3_3_0)
103497 e_4_4_1 = zeta*( c1*e_3_3_1 &
103498 +c2*e_4_3_1&
103499
103500 )
103501 e_4_3_2 = zetb*( c1*e_3_3_1 &
103502 +c3*e_4_3_1&
103503
103504 )
103505 e_5_4_1 = zeta*( c1*e_4_3_1 &
103506
103507
103508 )
103509 e_5_3_2 = zetb*( c1*e_4_3_1 &
103510
103511
103512 )
103513 e_0_4_2 = zetb*( &
103514 +c3*e_0_4_1&
103515 +2*e_1_4_1 &
103516 -2*e_0_4_0)
103517 e_1_4_2 = zetb*( c1*e_0_4_1 &
103518 +c3*e_1_4_1&
103519 +4*e_2_4_1 &
103520 -2*e_1_4_0)
103521 e_2_4_2 = zetb*( c1*e_1_4_1 &
103522 +c3*e_2_4_1&
103523 +6*e_3_4_1 &
103524 -2*e_2_4_0)
103525 e_3_4_2 = zetb*( c1*e_2_4_1 &
103526 +c3*e_3_4_1&
103527 +8*e_4_4_1 &
103528 -2*e_3_4_0)
103529 e_4_4_2 = zetb*( c1*e_3_4_1 &
103530 +c3*e_4_4_1&
103531 +10*e_5_4_1 &
103532 -2*e_4_4_0)
103533 e_5_4_2 = zetb*( c1*e_4_4_1 &
103534 +c3*e_5_4_1&
103535
103536 )
103537 e_6_4_2 = zetb*( c1*e_5_4_1 &
103538
103539
103540 )
103541 e_0_1_2 = zeta*( &
103542 +c2*e_0_0_2&
103543 +2*e_1_0_2 &
103544 )
103545 e_1_1_2 = zeta*( c1*e_0_0_2 &
103546 +c2*e_1_0_2&
103547 +4*e_2_0_2 &
103548 )
103549 e_2_1_2 = zeta*( c1*e_1_0_2 &
103550 +c2*e_2_0_2&
103551
103552 )
103553 e_3_1_2 = zeta*( c1*e_2_0_2 &
103554
103555
103556 )
103557 e_0_2_2 = zeta*( &
103558 +c2*e_0_1_2&
103559 +2*e_1_1_2 &
103560 -2*e_0_0_2)
103561 e_1_2_2 = zeta*( c1*e_0_1_2 &
103562 +c2*e_1_1_2&
103563 +4*e_2_1_2 &
103564 -2*e_1_0_2)
103565 e_2_2_2 = zeta*( c1*e_1_1_2 &
103566 +c2*e_2_1_2&
103567 +6*e_3_1_2 &
103568 -2*e_2_0_2)
103569 e_3_2_2 = zeta*( c1*e_2_1_2 &
103570 +c2*e_3_1_2&
103571
103572 )
103573 e_4_2_2 = zeta*( c1*e_3_1_2 &
103574
103575
103576 )
103577 e_0_3_2 = zeta*( &
103578 +c2*e_0_2_2&
103579 +2*e_1_2_2 &
103580 -4*e_0_1_2)
103581 e_1_3_2 = zeta*( c1*e_0_2_2 &
103582 +c2*e_1_2_2&
103583 +4*e_2_2_2 &
103584 -4*e_1_1_2)
103585 e_2_3_2 = zeta*( c1*e_1_2_2 &
103586 +c2*e_2_2_2&
103587 +6*e_3_2_2 &
103588 -4*e_2_1_2)
103589 e_3_3_2 = zeta*( c1*e_2_2_2 &
103590 +c2*e_3_2_2&
103591 +8*e_4_2_2 &
103592 -4*e_3_1_2)
103593 e_4_3_2 = zeta*( c1*e_3_2_2 &
103594 +c2*e_4_2_2&
103595
103596 )
103597 e_5_3_2 = zeta*( c1*e_4_2_2 &
103598
103599
103600 )
103601 e_0_4_2 = zeta*( &
103602 +c2*e_0_3_2&
103603 +2*e_1_3_2 &
103604 -6*e_0_2_2)
103605 e_1_4_2 = zeta*( c1*e_0_3_2 &
103606 +c2*e_1_3_2&
103607 +4*e_2_3_2 &
103608 -6*e_1_2_2)
103609 e_2_4_2 = zeta*( c1*e_1_3_2 &
103610 +c2*e_2_3_2&
103611 +6*e_3_3_2 &
103612 -6*e_2_2_2)
103613 e_3_4_2 = zeta*( c1*e_2_3_2 &
103614 +c2*e_3_3_2&
103615 +8*e_4_3_2 &
103616 -6*e_3_2_2)
103617 e_4_4_2 = zeta*( c1*e_3_3_2 &
103618 +c2*e_4_3_2&
103619 +10*e_5_3_2 &
103620 -6*e_4_2_2)
103621 e_5_4_2 = zeta*( c1*e_4_3_2 &
103622 +c2*e_5_3_2&
103623
103624 )
103625 e_6_4_2 = zeta*( c1*e_5_3_2 &
103626
103627
103628 )
103629
103630 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
103631 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
103632 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
103633 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
103634 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
103635 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
103636 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
103637 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
103638 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
103639 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
103640 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
103641 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
103642 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
103643 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
103644 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
103645 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
103646 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
103647 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
103648 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
103649 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
103650 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
103651 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
103652 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
103653 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
103654 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
103655 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
103656 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
103657 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
103658 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
103659 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
103660 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
103661 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
103662 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
103663 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
103664 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103665 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
103666 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
103667 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
103668 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
103669 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
103670 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
103671 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
103672 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
103673 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
103674 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
103675 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
103676 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
103677 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
103678 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
103679 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
103680 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
103681 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
103682 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
103683 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
103684 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
103685 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
103686 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
103687 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
103688 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
103689 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
103690 r1 = r1 + dr
103691 END DO
103692
103693 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
103694 END SUBROUTINE
103695 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_1_exp_1 ( &
103696 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
103697 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
103698 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
103699 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
103700 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
103701 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
103702 r_pow_t, r_tmp, rr1_delta, rr2_delta
103703
103704 REAL(kind=dp) :: c1, c2, c3
103705 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
103706 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
103707 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
103708 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
103709 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
103710 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
103711 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
103712 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
103713 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
103714 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
103715 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
103716
103717 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
103718
103719 dr = lgth
103720 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
103721
103722 s_r(:, :, :) = 0.0_dp
103723
103724 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
103725
103726 h_to_c_0_0 = sqrt(alpha/pi)
103727
103728 h_to_c_0_1 = 0.0_dp
103729 h_to_c_1_1 = +2*alpha*h_to_c_0_0
103730 h_to_c_0_2 = -1*h_to_c_1_1
103731 h_to_c_1_2 = +2*alpha*h_to_c_0_1
103732 h_to_c_2_2 = +2*alpha*h_to_c_1_1
103733 h_to_c_0_3 = -1*h_to_c_1_2
103734 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
103735 h_to_c_2_3 = +2*alpha*h_to_c_1_2
103736 h_to_c_3_3 = +2*alpha*h_to_c_2_2
103737 h_to_c_0_4 = -1*h_to_c_1_3
103738 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
103739 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
103740 h_to_c_3_4 = +2*alpha*h_to_c_2_3
103741 h_to_c_4_4 = +2*alpha*h_to_c_3_3
103742 h_to_c_0_5 = -1*h_to_c_1_4
103743 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
103744 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
103745 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
103746 h_to_c_4_5 = +2*alpha*h_to_c_3_4
103747 h_to_c_5_5 = +2*alpha*h_to_c_4_4
103748 h_to_c_0_6 = -1*h_to_c_1_5
103749 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
103750 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
103751 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
103752 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
103753 h_to_c_5_6 = +2*alpha*h_to_c_4_5
103754 h_to_c_6_6 = +2*alpha*h_to_c_5_5
103755 h_to_c_0_7 = -1*h_to_c_1_6
103756 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
103757 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
103758 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
103759 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
103760 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
103761 h_to_c_6_7 = +2*alpha*h_to_c_5_6
103762 h_to_c_7_7 = +2*alpha*h_to_c_6_6
103763
103764 exp_drsq = exp(-alpha*dr*dr)
103765 exp_2drsq = exp_drsq*exp_drsq
103766
103767 rr1_delta = (ra - rb)/dr
103768
103769 rr1_l = ceiling(-r_c(1) + rr1_delta)
103770 rr1_r = floor(r_c(1) + rr1_delta)
103771
103772 r1 = rr1_l*dr
103773
103774 alpha_e = zeta*zetb/(zeta + zetb)
103775
103776 DO rr1 = rr1_l, rr1_r
103777 s_r_t_0 = 0.0_dp
103778 s_r_t2_0 = 0.0_dp
103779 s_r_t_1 = 0.0_dp
103780 s_r_t2_1 = 0.0_dp
103781 s_r_t_2 = 0.0_dp
103782 s_r_t2_2 = 0.0_dp
103783 s_r_t_3 = 0.0_dp
103784 s_r_t2_3 = 0.0_dp
103785 s_r_t_4 = 0.0_dp
103786 s_r_t2_4 = 0.0_dp
103787 s_r_t_5 = 0.0_dp
103788 s_r_t2_5 = 0.0_dp
103789 s_r_t_6 = 0.0_dp
103790 s_r_t2_6 = 0.0_dp
103791 s_r_t_7 = 0.0_dp
103792 s_r_t2_7 = 0.0_dp
103793 r_tmp = r_offset + r1*zeta/(zeta + zetb)
103794 rr2_delta = -r_tmp/dr
103795
103796 rr2_l = ceiling(-r_c(2) + rr2_delta)
103797 rr2_r = floor(r_c(2) + rr2_delta)
103798
103799 r = r_tmp + (rr2_l)*dr
103800
103801 exp2_2rdr = exp(-2*alpha*r*dr)
103802 exp2_rsq = exp(-alpha*r*r)
103803
103804 DO rr2 = rr2_l, rr2_r
103805 r_pow_t = 1.0_dp
103806 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
103807 r_pow_t = r_pow_t*r
103808 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
103809 r_pow_t = r_pow_t*r
103810 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
103811 r_pow_t = r_pow_t*r
103812 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
103813 r_pow_t = r_pow_t*r
103814 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
103815 r_pow_t = r_pow_t*r
103816 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
103817 r_pow_t = r_pow_t*r
103818 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
103819 r_pow_t = r_pow_t*r
103820 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
103821
103822 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
103823 exp2_2rdr = exp2_2rdr*exp_2drsq
103824 r = r + dr
103825 END DO
103826
103827 ! C --> H
103828 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
103829 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
103830 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
103831 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
103832 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
103833 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
103834 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
103835 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
103836 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
103837 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
103838 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
103839 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
103840 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
103841 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
103842 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
103843 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
103844 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
103845 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
103846 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
103847 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
103848 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
103849 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
103850 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
103851 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
103852 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
103853 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
103854 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
103855 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
103856 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
103857 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
103858 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
103859 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
103860 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
103861 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
103862 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
103863 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
103864
103865 ! H --> HH
103866 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
103867
103868 c1 = 1.0_dp/(zeta + zetb)
103869 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
103870 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
103871
103872 e_0_1_0 = zeta*( &
103873 +c2*e_0_0_0&
103874
103875 )
103876 e_0_0_1 = zetb*( &
103877 +c3*e_0_0_0&
103878
103879 )
103880 e_1_1_0 = zeta*( c1*e_0_0_0 &
103881
103882
103883 )
103884 e_1_0_1 = zetb*( c1*e_0_0_0 &
103885
103886
103887 )
103888 e_0_2_0 = zeta*( &
103889 +c2*e_0_1_0&
103890 +2*e_1_1_0 &
103891 -2*e_0_0_0)
103892 e_0_1_1 = zetb*( &
103893 +c3*e_0_1_0&
103894 +2*e_1_1_0 &
103895 )
103896 e_1_2_0 = zeta*( c1*e_0_1_0 &
103897 +c2*e_1_1_0&
103898
103899 )
103900 e_1_1_1 = zetb*( c1*e_0_1_0 &
103901 +c3*e_1_1_0&
103902
103903 )
103904 e_2_2_0 = zeta*( c1*e_1_1_0 &
103905
103906
103907 )
103908 e_2_1_1 = zetb*( c1*e_1_1_0 &
103909
103910
103911 )
103912 e_0_3_0 = zeta*( &
103913 +c2*e_0_2_0&
103914 +2*e_1_2_0 &
103915 -4*e_0_1_0)
103916 e_0_2_1 = zetb*( &
103917 +c3*e_0_2_0&
103918 +2*e_1_2_0 &
103919 )
103920 e_1_3_0 = zeta*( c1*e_0_2_0 &
103921 +c2*e_1_2_0&
103922 +4*e_2_2_0 &
103923 -4*e_1_1_0)
103924 e_1_2_1 = zetb*( c1*e_0_2_0 &
103925 +c3*e_1_2_0&
103926 +4*e_2_2_0 &
103927 )
103928 e_2_3_0 = zeta*( c1*e_1_2_0 &
103929 +c2*e_2_2_0&
103930
103931 )
103932 e_2_2_1 = zetb*( c1*e_1_2_0 &
103933 +c3*e_2_2_0&
103934
103935 )
103936 e_3_3_0 = zeta*( c1*e_2_2_0 &
103937
103938
103939 )
103940 e_3_2_1 = zetb*( c1*e_2_2_0 &
103941
103942
103943 )
103944 e_0_4_0 = zeta*( &
103945 +c2*e_0_3_0&
103946 +2*e_1_3_0 &
103947 -6*e_0_2_0)
103948 e_0_3_1 = zetb*( &
103949 +c3*e_0_3_0&
103950 +2*e_1_3_0 &
103951 )
103952 e_1_4_0 = zeta*( c1*e_0_3_0 &
103953 +c2*e_1_3_0&
103954 +4*e_2_3_0 &
103955 -6*e_1_2_0)
103956 e_1_3_1 = zetb*( c1*e_0_3_0 &
103957 +c3*e_1_3_0&
103958 +4*e_2_3_0 &
103959 )
103960 e_2_4_0 = zeta*( c1*e_1_3_0 &
103961 +c2*e_2_3_0&
103962 +6*e_3_3_0 &
103963 -6*e_2_2_0)
103964 e_2_3_1 = zetb*( c1*e_1_3_0 &
103965 +c3*e_2_3_0&
103966 +6*e_3_3_0 &
103967 )
103968 e_3_4_0 = zeta*( c1*e_2_3_0 &
103969 +c2*e_3_3_0&
103970
103971 )
103972 e_3_3_1 = zetb*( c1*e_2_3_0 &
103973 +c3*e_3_3_0&
103974
103975 )
103976 e_4_4_0 = zeta*( c1*e_3_3_0 &
103977
103978
103979 )
103980 e_4_3_1 = zetb*( c1*e_3_3_0 &
103981
103982
103983 )
103984 e_0_4_1 = zetb*( &
103985 +c3*e_0_4_0&
103986 +2*e_1_4_0 &
103987 )
103988 e_1_4_1 = zetb*( c1*e_0_4_0 &
103989 +c3*e_1_4_0&
103990 +4*e_2_4_0 &
103991 )
103992 e_2_4_1 = zetb*( c1*e_1_4_0 &
103993 +c3*e_2_4_0&
103994 +6*e_3_4_0 &
103995 )
103996 e_3_4_1 = zetb*( c1*e_2_4_0 &
103997 +c3*e_3_4_0&
103998 +8*e_4_4_0 &
103999 )
104000 e_4_4_1 = zetb*( c1*e_3_4_0 &
104001 +c3*e_4_4_0&
104002
104003 )
104004 e_5_4_1 = zetb*( c1*e_4_4_0 &
104005
104006
104007 )
104008 e_0_1_1 = zeta*( &
104009 +c2*e_0_0_1&
104010 +2*e_1_0_1 &
104011 )
104012 e_0_0_2 = zetb*( &
104013 +c3*e_0_0_1&
104014 +2*e_1_0_1 &
104015 -2*e_0_0_0)
104016 e_1_1_1 = zeta*( c1*e_0_0_1 &
104017 +c2*e_1_0_1&
104018
104019 )
104020 e_1_0_2 = zetb*( c1*e_0_0_1 &
104021 +c3*e_1_0_1&
104022
104023 )
104024 e_2_1_1 = zeta*( c1*e_1_0_1 &
104025
104026
104027 )
104028 e_2_0_2 = zetb*( c1*e_1_0_1 &
104029
104030
104031 )
104032 e_0_2_1 = zeta*( &
104033 +c2*e_0_1_1&
104034 +2*e_1_1_1 &
104035 -2*e_0_0_1)
104036 e_0_1_2 = zetb*( &
104037 +c3*e_0_1_1&
104038 +2*e_1_1_1 &
104039 -2*e_0_1_0)
104040 e_1_2_1 = zeta*( c1*e_0_1_1 &
104041 +c2*e_1_1_1&
104042 +4*e_2_1_1 &
104043 -2*e_1_0_1)
104044 e_1_1_2 = zetb*( c1*e_0_1_1 &
104045 +c3*e_1_1_1&
104046 +4*e_2_1_1 &
104047 -2*e_1_1_0)
104048 e_2_2_1 = zeta*( c1*e_1_1_1 &
104049 +c2*e_2_1_1&
104050
104051 )
104052 e_2_1_2 = zetb*( c1*e_1_1_1 &
104053 +c3*e_2_1_1&
104054
104055 )
104056 e_3_2_1 = zeta*( c1*e_2_1_1 &
104057
104058
104059 )
104060 e_3_1_2 = zetb*( c1*e_2_1_1 &
104061
104062
104063 )
104064 e_0_3_1 = zeta*( &
104065 +c2*e_0_2_1&
104066 +2*e_1_2_1 &
104067 -4*e_0_1_1)
104068 e_0_2_2 = zetb*( &
104069 +c3*e_0_2_1&
104070 +2*e_1_2_1 &
104071 -2*e_0_2_0)
104072 e_1_3_1 = zeta*( c1*e_0_2_1 &
104073 +c2*e_1_2_1&
104074 +4*e_2_2_1 &
104075 -4*e_1_1_1)
104076 e_1_2_2 = zetb*( c1*e_0_2_1 &
104077 +c3*e_1_2_1&
104078 +4*e_2_2_1 &
104079 -2*e_1_2_0)
104080 e_2_3_1 = zeta*( c1*e_1_2_1 &
104081 +c2*e_2_2_1&
104082 +6*e_3_2_1 &
104083 -4*e_2_1_1)
104084 e_2_2_2 = zetb*( c1*e_1_2_1 &
104085 +c3*e_2_2_1&
104086 +6*e_3_2_1 &
104087 -2*e_2_2_0)
104088 e_3_3_1 = zeta*( c1*e_2_2_1 &
104089 +c2*e_3_2_1&
104090
104091 )
104092 e_3_2_2 = zetb*( c1*e_2_2_1 &
104093 +c3*e_3_2_1&
104094
104095 )
104096 e_4_3_1 = zeta*( c1*e_3_2_1 &
104097
104098
104099 )
104100 e_4_2_2 = zetb*( c1*e_3_2_1 &
104101
104102
104103 )
104104 e_0_4_1 = zeta*( &
104105 +c2*e_0_3_1&
104106 +2*e_1_3_1 &
104107 -6*e_0_2_1)
104108 e_0_3_2 = zetb*( &
104109 +c3*e_0_3_1&
104110 +2*e_1_3_1 &
104111 -2*e_0_3_0)
104112 e_1_4_1 = zeta*( c1*e_0_3_1 &
104113 +c2*e_1_3_1&
104114 +4*e_2_3_1 &
104115 -6*e_1_2_1)
104116 e_1_3_2 = zetb*( c1*e_0_3_1 &
104117 +c3*e_1_3_1&
104118 +4*e_2_3_1 &
104119 -2*e_1_3_0)
104120 e_2_4_1 = zeta*( c1*e_1_3_1 &
104121 +c2*e_2_3_1&
104122 +6*e_3_3_1 &
104123 -6*e_2_2_1)
104124 e_2_3_2 = zetb*( c1*e_1_3_1 &
104125 +c3*e_2_3_1&
104126 +6*e_3_3_1 &
104127 -2*e_2_3_0)
104128 e_3_4_1 = zeta*( c1*e_2_3_1 &
104129 +c2*e_3_3_1&
104130 +8*e_4_3_1 &
104131 -6*e_3_2_1)
104132 e_3_3_2 = zetb*( c1*e_2_3_1 &
104133 +c3*e_3_3_1&
104134 +8*e_4_3_1 &
104135 -2*e_3_3_0)
104136 e_4_4_1 = zeta*( c1*e_3_3_1 &
104137 +c2*e_4_3_1&
104138
104139 )
104140 e_4_3_2 = zetb*( c1*e_3_3_1 &
104141 +c3*e_4_3_1&
104142
104143 )
104144 e_5_4_1 = zeta*( c1*e_4_3_1 &
104145
104146
104147 )
104148 e_5_3_2 = zetb*( c1*e_4_3_1 &
104149
104150
104151 )
104152 e_0_4_2 = zetb*( &
104153 +c3*e_0_4_1&
104154 +2*e_1_4_1 &
104155 -2*e_0_4_0)
104156 e_1_4_2 = zetb*( c1*e_0_4_1 &
104157 +c3*e_1_4_1&
104158 +4*e_2_4_1 &
104159 -2*e_1_4_0)
104160 e_2_4_2 = zetb*( c1*e_1_4_1 &
104161 +c3*e_2_4_1&
104162 +6*e_3_4_1 &
104163 -2*e_2_4_0)
104164 e_3_4_2 = zetb*( c1*e_2_4_1 &
104165 +c3*e_3_4_1&
104166 +8*e_4_4_1 &
104167 -2*e_3_4_0)
104168 e_4_4_2 = zetb*( c1*e_3_4_1 &
104169 +c3*e_4_4_1&
104170 +10*e_5_4_1 &
104171 -2*e_4_4_0)
104172 e_5_4_2 = zetb*( c1*e_4_4_1 &
104173 +c3*e_5_4_1&
104174
104175 )
104176 e_6_4_2 = zetb*( c1*e_5_4_1 &
104177
104178
104179 )
104180 e_0_1_2 = zeta*( &
104181 +c2*e_0_0_2&
104182 +2*e_1_0_2 &
104183 )
104184 e_1_1_2 = zeta*( c1*e_0_0_2 &
104185 +c2*e_1_0_2&
104186 +4*e_2_0_2 &
104187 )
104188 e_2_1_2 = zeta*( c1*e_1_0_2 &
104189 +c2*e_2_0_2&
104190
104191 )
104192 e_3_1_2 = zeta*( c1*e_2_0_2 &
104193
104194
104195 )
104196 e_0_2_2 = zeta*( &
104197 +c2*e_0_1_2&
104198 +2*e_1_1_2 &
104199 -2*e_0_0_2)
104200 e_1_2_2 = zeta*( c1*e_0_1_2 &
104201 +c2*e_1_1_2&
104202 +4*e_2_1_2 &
104203 -2*e_1_0_2)
104204 e_2_2_2 = zeta*( c1*e_1_1_2 &
104205 +c2*e_2_1_2&
104206 +6*e_3_1_2 &
104207 -2*e_2_0_2)
104208 e_3_2_2 = zeta*( c1*e_2_1_2 &
104209 +c2*e_3_1_2&
104210
104211 )
104212 e_4_2_2 = zeta*( c1*e_3_1_2 &
104213
104214
104215 )
104216 e_0_3_2 = zeta*( &
104217 +c2*e_0_2_2&
104218 +2*e_1_2_2 &
104219 -4*e_0_1_2)
104220 e_1_3_2 = zeta*( c1*e_0_2_2 &
104221 +c2*e_1_2_2&
104222 +4*e_2_2_2 &
104223 -4*e_1_1_2)
104224 e_2_3_2 = zeta*( c1*e_1_2_2 &
104225 +c2*e_2_2_2&
104226 +6*e_3_2_2 &
104227 -4*e_2_1_2)
104228 e_3_3_2 = zeta*( c1*e_2_2_2 &
104229 +c2*e_3_2_2&
104230 +8*e_4_2_2 &
104231 -4*e_3_1_2)
104232 e_4_3_2 = zeta*( c1*e_3_2_2 &
104233 +c2*e_4_2_2&
104234
104235 )
104236 e_5_3_2 = zeta*( c1*e_4_2_2 &
104237
104238
104239 )
104240 e_0_4_2 = zeta*( &
104241 +c2*e_0_3_2&
104242 +2*e_1_3_2 &
104243 -6*e_0_2_2)
104244 e_1_4_2 = zeta*( c1*e_0_3_2 &
104245 +c2*e_1_3_2&
104246 +4*e_2_3_2 &
104247 -6*e_1_2_2)
104248 e_2_4_2 = zeta*( c1*e_1_3_2 &
104249 +c2*e_2_3_2&
104250 +6*e_3_3_2 &
104251 -6*e_2_2_2)
104252 e_3_4_2 = zeta*( c1*e_2_3_2 &
104253 +c2*e_3_3_2&
104254 +8*e_4_3_2 &
104255 -6*e_3_2_2)
104256 e_4_4_2 = zeta*( c1*e_3_3_2 &
104257 +c2*e_4_3_2&
104258 +10*e_5_3_2 &
104259 -6*e_4_2_2)
104260 e_5_4_2 = zeta*( c1*e_4_3_2 &
104261 +c2*e_5_3_2&
104262
104263 )
104264 e_6_4_2 = zeta*( c1*e_5_3_2 &
104265
104266
104267 )
104268
104269 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
104270 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
104271 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
104272 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
104273 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
104274 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
104275 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
104276 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
104277 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
104278 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
104279 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
104280 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
104281 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
104282 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
104283 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
104284 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
104285 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
104286 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
104287 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
104288 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
104289 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
104290 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
104291 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
104292 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
104293 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
104294 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
104295 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
104296 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
104297 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
104298 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
104299 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
104300 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
104301 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
104302 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
104303 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
104304 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
104305 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
104306 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
104307 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
104308 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
104309 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
104310 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
104311 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
104312 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
104313 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
104314 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
104315 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
104316 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
104317 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
104318 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
104319 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
104320 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
104321 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
104322 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
104323 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
104324 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
104325 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
104326 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
104327 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
104328 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
104329 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
104330 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
104331 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
104332 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
104333 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
104334 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
104335 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
104336 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
104337 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
104338 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
104339 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
104340 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
104341 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
104342 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
104343 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
104344 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
104345 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
104346 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
104347 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
104348 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
104349 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
104350 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
104351 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
104352 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
104353 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
104354 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
104355 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
104356 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
104357 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
104358 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
104359 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
104360 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
104361 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
104362 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
104363 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
104364 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
104365 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
104366 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
104367 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
104368 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
104369 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
104370 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
104371 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
104372 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
104373 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
104374 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
104375 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
104376 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
104377 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
104378 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
104379 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
104380 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
104381 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
104382 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
104383 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
104384 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
104385 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
104386 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
104387 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
104388 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
104389 r1 = r1 + dr
104390 END DO
104391
104392 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
104393 END SUBROUTINE
104394 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_2_exp_1 ( &
104395 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
104396 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
104397 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
104398 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
104399 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
104400 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
104401 r_pow_t, r_tmp, rr1_delta, rr2_delta
104402
104403 REAL(kind=dp) :: c1, c2, c3
104404 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
104405 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
104406 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
104407 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
104408 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
104409 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
104410 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
104411 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
104412 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
104413 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
104414 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
104415 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
104416
104417 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
104418
104419 dr = lgth
104420 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
104421
104422 s_r(:, :, :) = 0.0_dp
104423
104424 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
104425
104426 h_to_c_0_0 = sqrt(alpha/pi)
104427
104428 h_to_c_0_1 = 0.0_dp
104429 h_to_c_1_1 = +2*alpha*h_to_c_0_0
104430 h_to_c_0_2 = -1*h_to_c_1_1
104431 h_to_c_1_2 = +2*alpha*h_to_c_0_1
104432 h_to_c_2_2 = +2*alpha*h_to_c_1_1
104433 h_to_c_0_3 = -1*h_to_c_1_2
104434 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
104435 h_to_c_2_3 = +2*alpha*h_to_c_1_2
104436 h_to_c_3_3 = +2*alpha*h_to_c_2_2
104437 h_to_c_0_4 = -1*h_to_c_1_3
104438 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
104439 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
104440 h_to_c_3_4 = +2*alpha*h_to_c_2_3
104441 h_to_c_4_4 = +2*alpha*h_to_c_3_3
104442 h_to_c_0_5 = -1*h_to_c_1_4
104443 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
104444 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
104445 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
104446 h_to_c_4_5 = +2*alpha*h_to_c_3_4
104447 h_to_c_5_5 = +2*alpha*h_to_c_4_4
104448 h_to_c_0_6 = -1*h_to_c_1_5
104449 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
104450 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
104451 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
104452 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
104453 h_to_c_5_6 = +2*alpha*h_to_c_4_5
104454 h_to_c_6_6 = +2*alpha*h_to_c_5_5
104455 h_to_c_0_7 = -1*h_to_c_1_6
104456 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
104457 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
104458 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
104459 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
104460 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
104461 h_to_c_6_7 = +2*alpha*h_to_c_5_6
104462 h_to_c_7_7 = +2*alpha*h_to_c_6_6
104463 h_to_c_0_8 = -1*h_to_c_1_7
104464 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
104465 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
104466 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
104467 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
104468 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
104469 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
104470 h_to_c_7_8 = +2*alpha*h_to_c_6_7
104471 h_to_c_8_8 = +2*alpha*h_to_c_7_7
104472
104473 exp_drsq = exp(-alpha*dr*dr)
104474 exp_2drsq = exp_drsq*exp_drsq
104475
104476 rr1_delta = (ra - rb)/dr
104477
104478 rr1_l = ceiling(-r_c(1) + rr1_delta)
104479 rr1_r = floor(r_c(1) + rr1_delta)
104480
104481 r1 = rr1_l*dr
104482
104483 alpha_e = zeta*zetb/(zeta + zetb)
104484
104485 DO rr1 = rr1_l, rr1_r
104486 s_r_t_0 = 0.0_dp
104487 s_r_t2_0 = 0.0_dp
104488 s_r_t_1 = 0.0_dp
104489 s_r_t2_1 = 0.0_dp
104490 s_r_t_2 = 0.0_dp
104491 s_r_t2_2 = 0.0_dp
104492 s_r_t_3 = 0.0_dp
104493 s_r_t2_3 = 0.0_dp
104494 s_r_t_4 = 0.0_dp
104495 s_r_t2_4 = 0.0_dp
104496 s_r_t_5 = 0.0_dp
104497 s_r_t2_5 = 0.0_dp
104498 s_r_t_6 = 0.0_dp
104499 s_r_t2_6 = 0.0_dp
104500 s_r_t_7 = 0.0_dp
104501 s_r_t2_7 = 0.0_dp
104502 s_r_t_8 = 0.0_dp
104503 s_r_t2_8 = 0.0_dp
104504 r_tmp = r_offset + r1*zeta/(zeta + zetb)
104505 rr2_delta = -r_tmp/dr
104506
104507 rr2_l = ceiling(-r_c(2) + rr2_delta)
104508 rr2_r = floor(r_c(2) + rr2_delta)
104509
104510 r = r_tmp + (rr2_l)*dr
104511
104512 exp2_2rdr = exp(-2*alpha*r*dr)
104513 exp2_rsq = exp(-alpha*r*r)
104514
104515 DO rr2 = rr2_l, rr2_r
104516 r_pow_t = 1.0_dp
104517 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
104518 r_pow_t = r_pow_t*r
104519 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
104520 r_pow_t = r_pow_t*r
104521 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
104522 r_pow_t = r_pow_t*r
104523 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
104524 r_pow_t = r_pow_t*r
104525 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
104526 r_pow_t = r_pow_t*r
104527 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
104528 r_pow_t = r_pow_t*r
104529 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
104530 r_pow_t = r_pow_t*r
104531 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
104532 r_pow_t = r_pow_t*r
104533 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
104534
104535 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
104536 exp2_2rdr = exp2_2rdr*exp_2drsq
104537 r = r + dr
104538 END DO
104539
104540 ! C --> H
104541 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
104542 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
104543 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
104544 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
104545 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
104546 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
104547 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
104548 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
104549 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
104550 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
104551 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
104552 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
104553 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
104554 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
104555 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
104556 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
104557 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
104558 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
104559 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
104560 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
104561 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
104562 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
104563 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
104564 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
104565 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
104566 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
104567 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
104568 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
104569 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
104570 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
104571 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
104572 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
104573 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
104574 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
104575 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
104576 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
104577 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
104578 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
104579 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
104580 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
104581 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
104582 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
104583 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
104584 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
104585 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
104586
104587 ! H --> HH
104588 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
104589
104590 c1 = 1.0_dp/(zeta + zetb)
104591 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
104592 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
104593
104594 e_0_1_0 = zeta*( &
104595 +c2*e_0_0_0&
104596
104597 )
104598 e_0_0_1 = zetb*( &
104599 +c3*e_0_0_0&
104600
104601 )
104602 e_1_1_0 = zeta*( c1*e_0_0_0 &
104603
104604
104605 )
104606 e_1_0_1 = zetb*( c1*e_0_0_0 &
104607
104608
104609 )
104610 e_0_2_0 = zeta*( &
104611 +c2*e_0_1_0&
104612 +2*e_1_1_0 &
104613 -2*e_0_0_0)
104614 e_0_1_1 = zetb*( &
104615 +c3*e_0_1_0&
104616 +2*e_1_1_0 &
104617 )
104618 e_1_2_0 = zeta*( c1*e_0_1_0 &
104619 +c2*e_1_1_0&
104620
104621 )
104622 e_1_1_1 = zetb*( c1*e_0_1_0 &
104623 +c3*e_1_1_0&
104624
104625 )
104626 e_2_2_0 = zeta*( c1*e_1_1_0 &
104627
104628
104629 )
104630 e_2_1_1 = zetb*( c1*e_1_1_0 &
104631
104632
104633 )
104634 e_0_3_0 = zeta*( &
104635 +c2*e_0_2_0&
104636 +2*e_1_2_0 &
104637 -4*e_0_1_0)
104638 e_0_2_1 = zetb*( &
104639 +c3*e_0_2_0&
104640 +2*e_1_2_0 &
104641 )
104642 e_1_3_0 = zeta*( c1*e_0_2_0 &
104643 +c2*e_1_2_0&
104644 +4*e_2_2_0 &
104645 -4*e_1_1_0)
104646 e_1_2_1 = zetb*( c1*e_0_2_0 &
104647 +c3*e_1_2_0&
104648 +4*e_2_2_0 &
104649 )
104650 e_2_3_0 = zeta*( c1*e_1_2_0 &
104651 +c2*e_2_2_0&
104652
104653 )
104654 e_2_2_1 = zetb*( c1*e_1_2_0 &
104655 +c3*e_2_2_0&
104656
104657 )
104658 e_3_3_0 = zeta*( c1*e_2_2_0 &
104659
104660
104661 )
104662 e_3_2_1 = zetb*( c1*e_2_2_0 &
104663
104664
104665 )
104666 e_0_4_0 = zeta*( &
104667 +c2*e_0_3_0&
104668 +2*e_1_3_0 &
104669 -6*e_0_2_0)
104670 e_0_3_1 = zetb*( &
104671 +c3*e_0_3_0&
104672 +2*e_1_3_0 &
104673 )
104674 e_1_4_0 = zeta*( c1*e_0_3_0 &
104675 +c2*e_1_3_0&
104676 +4*e_2_3_0 &
104677 -6*e_1_2_0)
104678 e_1_3_1 = zetb*( c1*e_0_3_0 &
104679 +c3*e_1_3_0&
104680 +4*e_2_3_0 &
104681 )
104682 e_2_4_0 = zeta*( c1*e_1_3_0 &
104683 +c2*e_2_3_0&
104684 +6*e_3_3_0 &
104685 -6*e_2_2_0)
104686 e_2_3_1 = zetb*( c1*e_1_3_0 &
104687 +c3*e_2_3_0&
104688 +6*e_3_3_0 &
104689 )
104690 e_3_4_0 = zeta*( c1*e_2_3_0 &
104691 +c2*e_3_3_0&
104692
104693 )
104694 e_3_3_1 = zetb*( c1*e_2_3_0 &
104695 +c3*e_3_3_0&
104696
104697 )
104698 e_4_4_0 = zeta*( c1*e_3_3_0 &
104699
104700
104701 )
104702 e_4_3_1 = zetb*( c1*e_3_3_0 &
104703
104704
104705 )
104706 e_0_4_1 = zetb*( &
104707 +c3*e_0_4_0&
104708 +2*e_1_4_0 &
104709 )
104710 e_1_4_1 = zetb*( c1*e_0_4_0 &
104711 +c3*e_1_4_0&
104712 +4*e_2_4_0 &
104713 )
104714 e_2_4_1 = zetb*( c1*e_1_4_0 &
104715 +c3*e_2_4_0&
104716 +6*e_3_4_0 &
104717 )
104718 e_3_4_1 = zetb*( c1*e_2_4_0 &
104719 +c3*e_3_4_0&
104720 +8*e_4_4_0 &
104721 )
104722 e_4_4_1 = zetb*( c1*e_3_4_0 &
104723 +c3*e_4_4_0&
104724
104725 )
104726 e_5_4_1 = zetb*( c1*e_4_4_0 &
104727
104728
104729 )
104730 e_0_1_1 = zeta*( &
104731 +c2*e_0_0_1&
104732 +2*e_1_0_1 &
104733 )
104734 e_0_0_2 = zetb*( &
104735 +c3*e_0_0_1&
104736 +2*e_1_0_1 &
104737 -2*e_0_0_0)
104738 e_1_1_1 = zeta*( c1*e_0_0_1 &
104739 +c2*e_1_0_1&
104740
104741 )
104742 e_1_0_2 = zetb*( c1*e_0_0_1 &
104743 +c3*e_1_0_1&
104744
104745 )
104746 e_2_1_1 = zeta*( c1*e_1_0_1 &
104747
104748
104749 )
104750 e_2_0_2 = zetb*( c1*e_1_0_1 &
104751
104752
104753 )
104754 e_0_2_1 = zeta*( &
104755 +c2*e_0_1_1&
104756 +2*e_1_1_1 &
104757 -2*e_0_0_1)
104758 e_0_1_2 = zetb*( &
104759 +c3*e_0_1_1&
104760 +2*e_1_1_1 &
104761 -2*e_0_1_0)
104762 e_1_2_1 = zeta*( c1*e_0_1_1 &
104763 +c2*e_1_1_1&
104764 +4*e_2_1_1 &
104765 -2*e_1_0_1)
104766 e_1_1_2 = zetb*( c1*e_0_1_1 &
104767 +c3*e_1_1_1&
104768 +4*e_2_1_1 &
104769 -2*e_1_1_0)
104770 e_2_2_1 = zeta*( c1*e_1_1_1 &
104771 +c2*e_2_1_1&
104772
104773 )
104774 e_2_1_2 = zetb*( c1*e_1_1_1 &
104775 +c3*e_2_1_1&
104776
104777 )
104778 e_3_2_1 = zeta*( c1*e_2_1_1 &
104779
104780
104781 )
104782 e_3_1_2 = zetb*( c1*e_2_1_1 &
104783
104784
104785 )
104786 e_0_3_1 = zeta*( &
104787 +c2*e_0_2_1&
104788 +2*e_1_2_1 &
104789 -4*e_0_1_1)
104790 e_0_2_2 = zetb*( &
104791 +c3*e_0_2_1&
104792 +2*e_1_2_1 &
104793 -2*e_0_2_0)
104794 e_1_3_1 = zeta*( c1*e_0_2_1 &
104795 +c2*e_1_2_1&
104796 +4*e_2_2_1 &
104797 -4*e_1_1_1)
104798 e_1_2_2 = zetb*( c1*e_0_2_1 &
104799 +c3*e_1_2_1&
104800 +4*e_2_2_1 &
104801 -2*e_1_2_0)
104802 e_2_3_1 = zeta*( c1*e_1_2_1 &
104803 +c2*e_2_2_1&
104804 +6*e_3_2_1 &
104805 -4*e_2_1_1)
104806 e_2_2_2 = zetb*( c1*e_1_2_1 &
104807 +c3*e_2_2_1&
104808 +6*e_3_2_1 &
104809 -2*e_2_2_0)
104810 e_3_3_1 = zeta*( c1*e_2_2_1 &
104811 +c2*e_3_2_1&
104812
104813 )
104814 e_3_2_2 = zetb*( c1*e_2_2_1 &
104815 +c3*e_3_2_1&
104816
104817 )
104818 e_4_3_1 = zeta*( c1*e_3_2_1 &
104819
104820
104821 )
104822 e_4_2_2 = zetb*( c1*e_3_2_1 &
104823
104824
104825 )
104826 e_0_4_1 = zeta*( &
104827 +c2*e_0_3_1&
104828 +2*e_1_3_1 &
104829 -6*e_0_2_1)
104830 e_0_3_2 = zetb*( &
104831 +c3*e_0_3_1&
104832 +2*e_1_3_1 &
104833 -2*e_0_3_0)
104834 e_1_4_1 = zeta*( c1*e_0_3_1 &
104835 +c2*e_1_3_1&
104836 +4*e_2_3_1 &
104837 -6*e_1_2_1)
104838 e_1_3_2 = zetb*( c1*e_0_3_1 &
104839 +c3*e_1_3_1&
104840 +4*e_2_3_1 &
104841 -2*e_1_3_0)
104842 e_2_4_1 = zeta*( c1*e_1_3_1 &
104843 +c2*e_2_3_1&
104844 +6*e_3_3_1 &
104845 -6*e_2_2_1)
104846 e_2_3_2 = zetb*( c1*e_1_3_1 &
104847 +c3*e_2_3_1&
104848 +6*e_3_3_1 &
104849 -2*e_2_3_0)
104850 e_3_4_1 = zeta*( c1*e_2_3_1 &
104851 +c2*e_3_3_1&
104852 +8*e_4_3_1 &
104853 -6*e_3_2_1)
104854 e_3_3_2 = zetb*( c1*e_2_3_1 &
104855 +c3*e_3_3_1&
104856 +8*e_4_3_1 &
104857 -2*e_3_3_0)
104858 e_4_4_1 = zeta*( c1*e_3_3_1 &
104859 +c2*e_4_3_1&
104860
104861 )
104862 e_4_3_2 = zetb*( c1*e_3_3_1 &
104863 +c3*e_4_3_1&
104864
104865 )
104866 e_5_4_1 = zeta*( c1*e_4_3_1 &
104867
104868
104869 )
104870 e_5_3_2 = zetb*( c1*e_4_3_1 &
104871
104872
104873 )
104874 e_0_4_2 = zetb*( &
104875 +c3*e_0_4_1&
104876 +2*e_1_4_1 &
104877 -2*e_0_4_0)
104878 e_1_4_2 = zetb*( c1*e_0_4_1 &
104879 +c3*e_1_4_1&
104880 +4*e_2_4_1 &
104881 -2*e_1_4_0)
104882 e_2_4_2 = zetb*( c1*e_1_4_1 &
104883 +c3*e_2_4_1&
104884 +6*e_3_4_1 &
104885 -2*e_2_4_0)
104886 e_3_4_2 = zetb*( c1*e_2_4_1 &
104887 +c3*e_3_4_1&
104888 +8*e_4_4_1 &
104889 -2*e_3_4_0)
104890 e_4_4_2 = zetb*( c1*e_3_4_1 &
104891 +c3*e_4_4_1&
104892 +10*e_5_4_1 &
104893 -2*e_4_4_0)
104894 e_5_4_2 = zetb*( c1*e_4_4_1 &
104895 +c3*e_5_4_1&
104896
104897 )
104898 e_6_4_2 = zetb*( c1*e_5_4_1 &
104899
104900
104901 )
104902 e_0_1_2 = zeta*( &
104903 +c2*e_0_0_2&
104904 +2*e_1_0_2 &
104905 )
104906 e_1_1_2 = zeta*( c1*e_0_0_2 &
104907 +c2*e_1_0_2&
104908 +4*e_2_0_2 &
104909 )
104910 e_2_1_2 = zeta*( c1*e_1_0_2 &
104911 +c2*e_2_0_2&
104912
104913 )
104914 e_3_1_2 = zeta*( c1*e_2_0_2 &
104915
104916
104917 )
104918 e_0_2_2 = zeta*( &
104919 +c2*e_0_1_2&
104920 +2*e_1_1_2 &
104921 -2*e_0_0_2)
104922 e_1_2_2 = zeta*( c1*e_0_1_2 &
104923 +c2*e_1_1_2&
104924 +4*e_2_1_2 &
104925 -2*e_1_0_2)
104926 e_2_2_2 = zeta*( c1*e_1_1_2 &
104927 +c2*e_2_1_2&
104928 +6*e_3_1_2 &
104929 -2*e_2_0_2)
104930 e_3_2_2 = zeta*( c1*e_2_1_2 &
104931 +c2*e_3_1_2&
104932
104933 )
104934 e_4_2_2 = zeta*( c1*e_3_1_2 &
104935
104936
104937 )
104938 e_0_3_2 = zeta*( &
104939 +c2*e_0_2_2&
104940 +2*e_1_2_2 &
104941 -4*e_0_1_2)
104942 e_1_3_2 = zeta*( c1*e_0_2_2 &
104943 +c2*e_1_2_2&
104944 +4*e_2_2_2 &
104945 -4*e_1_1_2)
104946 e_2_3_2 = zeta*( c1*e_1_2_2 &
104947 +c2*e_2_2_2&
104948 +6*e_3_2_2 &
104949 -4*e_2_1_2)
104950 e_3_3_2 = zeta*( c1*e_2_2_2 &
104951 +c2*e_3_2_2&
104952 +8*e_4_2_2 &
104953 -4*e_3_1_2)
104954 e_4_3_2 = zeta*( c1*e_3_2_2 &
104955 +c2*e_4_2_2&
104956
104957 )
104958 e_5_3_2 = zeta*( c1*e_4_2_2 &
104959
104960
104961 )
104962 e_0_4_2 = zeta*( &
104963 +c2*e_0_3_2&
104964 +2*e_1_3_2 &
104965 -6*e_0_2_2)
104966 e_1_4_2 = zeta*( c1*e_0_3_2 &
104967 +c2*e_1_3_2&
104968 +4*e_2_3_2 &
104969 -6*e_1_2_2)
104970 e_2_4_2 = zeta*( c1*e_1_3_2 &
104971 +c2*e_2_3_2&
104972 +6*e_3_3_2 &
104973 -6*e_2_2_2)
104974 e_3_4_2 = zeta*( c1*e_2_3_2 &
104975 +c2*e_3_3_2&
104976 +8*e_4_3_2 &
104977 -6*e_3_2_2)
104978 e_4_4_2 = zeta*( c1*e_3_3_2 &
104979 +c2*e_4_3_2&
104980 +10*e_5_3_2 &
104981 -6*e_4_2_2)
104982 e_5_4_2 = zeta*( c1*e_4_3_2 &
104983 +c2*e_5_3_2&
104984
104985 )
104986 e_6_4_2 = zeta*( c1*e_5_3_2 &
104987
104988
104989 )
104990
104991 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
104992 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
104993 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
104994 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
104995 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
104996 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
104997 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
104998 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
104999 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105000 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105001 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
105002 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
105003 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105004 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105005 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105006 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
105007 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
105008 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
105009 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
105010 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105011 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
105012 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
105013 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105014 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105015 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
105016 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
105017 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105018 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105019 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105020 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
105021 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
105022 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105023 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105024 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105025 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105026 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
105027 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
105028 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105029 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
105030 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
105031 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105032 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105033 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
105034 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
105035 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105036 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105037 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105038 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
105039 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
105040 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105041 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105042 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105043 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105044 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
105045 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
105046 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105047 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105048 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105049 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105050 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105051 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
105052 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
105053 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
105054 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
105055 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
105056 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105057 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
105058 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
105059 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105060 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105061 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
105062 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
105063 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105064 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105065 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105066 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
105067 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
105068 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
105069 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
105070 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105071 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
105072 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
105073 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
105074 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
105075 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
105076 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
105077 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
105078 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
105079 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
105080 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
105081 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
105082 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
105083 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
105084 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
105085 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
105086 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
105087 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
105088 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
105089 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
105090 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
105091 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
105092 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
105093 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
105094 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
105095 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
105096 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
105097 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
105098 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
105099 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
105100 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
105101 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
105102 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
105103 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
105104 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
105105 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
105106 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
105107 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
105108 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
105109 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
105110 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
105111 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
105112 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
105113 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
105114 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105115 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
105116 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
105117 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105118 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105119 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
105120 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
105121 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105122 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105123 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105124 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
105125 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
105126 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
105127 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
105128 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105129 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
105130 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
105131 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105132 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105133 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
105134 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
105135 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105136 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105137 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105138 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
105139 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
105140 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105141 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105142 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105143 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105144 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
105145 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
105146 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105147 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
105148 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
105149 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105150 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105151 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
105152 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
105153 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105154 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105155 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105156 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
105157 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
105158 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105159 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105160 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105161 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105162 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
105163 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
105164 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105165 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105166 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105167 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105168 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105169 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
105170 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
105171 r1 = r1 + dr
105172 END DO
105173
105174 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
105175 END SUBROUTINE
105176 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_3_exp_1 ( &
105177 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
105178 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
105179 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
105180 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
105181 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
105182 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
105183 r_pow_t, r_tmp, rr1_delta, rr2_delta
105184
105185 REAL(kind=dp) :: c1, c2, c3
105186 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
105187 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
105188 & s_r_t2_9
105189 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
105190 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
105191 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
105192 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
105193 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
105194 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
105195 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
105196 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
105197 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
105198 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
105199 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
105200
105201 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
105202
105203 dr = lgth
105204 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
105205
105206 s_r(:, :, :) = 0.0_dp
105207
105208 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
105209
105210 h_to_c_0_0 = sqrt(alpha/pi)
105211
105212 h_to_c_0_1 = 0.0_dp
105213 h_to_c_1_1 = +2*alpha*h_to_c_0_0
105214 h_to_c_0_2 = -1*h_to_c_1_1
105215 h_to_c_1_2 = +2*alpha*h_to_c_0_1
105216 h_to_c_2_2 = +2*alpha*h_to_c_1_1
105217 h_to_c_0_3 = -1*h_to_c_1_2
105218 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
105219 h_to_c_2_3 = +2*alpha*h_to_c_1_2
105220 h_to_c_3_3 = +2*alpha*h_to_c_2_2
105221 h_to_c_0_4 = -1*h_to_c_1_3
105222 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
105223 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
105224 h_to_c_3_4 = +2*alpha*h_to_c_2_3
105225 h_to_c_4_4 = +2*alpha*h_to_c_3_3
105226 h_to_c_0_5 = -1*h_to_c_1_4
105227 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
105228 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
105229 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
105230 h_to_c_4_5 = +2*alpha*h_to_c_3_4
105231 h_to_c_5_5 = +2*alpha*h_to_c_4_4
105232 h_to_c_0_6 = -1*h_to_c_1_5
105233 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
105234 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
105235 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
105236 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
105237 h_to_c_5_6 = +2*alpha*h_to_c_4_5
105238 h_to_c_6_6 = +2*alpha*h_to_c_5_5
105239 h_to_c_0_7 = -1*h_to_c_1_6
105240 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
105241 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
105242 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
105243 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
105244 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
105245 h_to_c_6_7 = +2*alpha*h_to_c_5_6
105246 h_to_c_7_7 = +2*alpha*h_to_c_6_6
105247 h_to_c_0_8 = -1*h_to_c_1_7
105248 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
105249 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
105250 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
105251 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
105252 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
105253 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
105254 h_to_c_7_8 = +2*alpha*h_to_c_6_7
105255 h_to_c_8_8 = +2*alpha*h_to_c_7_7
105256 h_to_c_0_9 = -1*h_to_c_1_8
105257 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
105258 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
105259 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
105260 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
105261 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
105262 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
105263 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
105264 h_to_c_8_9 = +2*alpha*h_to_c_7_8
105265 h_to_c_9_9 = +2*alpha*h_to_c_8_8
105266
105267 exp_drsq = exp(-alpha*dr*dr)
105268 exp_2drsq = exp_drsq*exp_drsq
105269
105270 rr1_delta = (ra - rb)/dr
105271
105272 rr1_l = ceiling(-r_c(1) + rr1_delta)
105273 rr1_r = floor(r_c(1) + rr1_delta)
105274
105275 r1 = rr1_l*dr
105276
105277 alpha_e = zeta*zetb/(zeta + zetb)
105278
105279 DO rr1 = rr1_l, rr1_r
105280 s_r_t_0 = 0.0_dp
105281 s_r_t2_0 = 0.0_dp
105282 s_r_t_1 = 0.0_dp
105283 s_r_t2_1 = 0.0_dp
105284 s_r_t_2 = 0.0_dp
105285 s_r_t2_2 = 0.0_dp
105286 s_r_t_3 = 0.0_dp
105287 s_r_t2_3 = 0.0_dp
105288 s_r_t_4 = 0.0_dp
105289 s_r_t2_4 = 0.0_dp
105290 s_r_t_5 = 0.0_dp
105291 s_r_t2_5 = 0.0_dp
105292 s_r_t_6 = 0.0_dp
105293 s_r_t2_6 = 0.0_dp
105294 s_r_t_7 = 0.0_dp
105295 s_r_t2_7 = 0.0_dp
105296 s_r_t_8 = 0.0_dp
105297 s_r_t2_8 = 0.0_dp
105298 s_r_t_9 = 0.0_dp
105299 s_r_t2_9 = 0.0_dp
105300 r_tmp = r_offset + r1*zeta/(zeta + zetb)
105301 rr2_delta = -r_tmp/dr
105302
105303 rr2_l = ceiling(-r_c(2) + rr2_delta)
105304 rr2_r = floor(r_c(2) + rr2_delta)
105305
105306 r = r_tmp + (rr2_l)*dr
105307
105308 exp2_2rdr = exp(-2*alpha*r*dr)
105309 exp2_rsq = exp(-alpha*r*r)
105310
105311 DO rr2 = rr2_l, rr2_r
105312 r_pow_t = 1.0_dp
105313 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
105314 r_pow_t = r_pow_t*r
105315 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
105316 r_pow_t = r_pow_t*r
105317 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
105318 r_pow_t = r_pow_t*r
105319 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
105320 r_pow_t = r_pow_t*r
105321 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
105322 r_pow_t = r_pow_t*r
105323 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
105324 r_pow_t = r_pow_t*r
105325 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
105326 r_pow_t = r_pow_t*r
105327 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
105328 r_pow_t = r_pow_t*r
105329 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
105330 r_pow_t = r_pow_t*r
105331 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
105332
105333 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
105334 exp2_2rdr = exp2_2rdr*exp_2drsq
105335 r = r + dr
105336 END DO
105337
105338 ! C --> H
105339 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
105340 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
105341 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
105342 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
105343 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
105344 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
105345 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
105346 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
105347 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
105348 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
105349 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
105350 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
105351 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
105352 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
105353 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
105354 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
105355 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
105356 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
105357 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
105358 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
105359 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
105360 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
105361 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
105362 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
105363 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
105364 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
105365 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
105366 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
105367 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
105368 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
105369 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
105370 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
105371 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
105372 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
105373 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
105374 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
105375 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
105376 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
105377 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
105378 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
105379 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
105380 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
105381 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
105382 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
105383 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
105384 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
105385 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
105386 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
105387 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
105388 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
105389 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
105390 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
105391 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
105392 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
105393 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
105394
105395 ! H --> HH
105396 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
105397
105398 c1 = 1.0_dp/(zeta + zetb)
105399 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
105400 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
105401
105402 e_0_1_0 = zeta*( &
105403 +c2*e_0_0_0&
105404
105405 )
105406 e_0_0_1 = zetb*( &
105407 +c3*e_0_0_0&
105408
105409 )
105410 e_1_1_0 = zeta*( c1*e_0_0_0 &
105411
105412
105413 )
105414 e_1_0_1 = zetb*( c1*e_0_0_0 &
105415
105416
105417 )
105418 e_0_2_0 = zeta*( &
105419 +c2*e_0_1_0&
105420 +2*e_1_1_0 &
105421 -2*e_0_0_0)
105422 e_0_1_1 = zetb*( &
105423 +c3*e_0_1_0&
105424 +2*e_1_1_0 &
105425 )
105426 e_1_2_0 = zeta*( c1*e_0_1_0 &
105427 +c2*e_1_1_0&
105428
105429 )
105430 e_1_1_1 = zetb*( c1*e_0_1_0 &
105431 +c3*e_1_1_0&
105432
105433 )
105434 e_2_2_0 = zeta*( c1*e_1_1_0 &
105435
105436
105437 )
105438 e_2_1_1 = zetb*( c1*e_1_1_0 &
105439
105440
105441 )
105442 e_0_3_0 = zeta*( &
105443 +c2*e_0_2_0&
105444 +2*e_1_2_0 &
105445 -4*e_0_1_0)
105446 e_0_2_1 = zetb*( &
105447 +c3*e_0_2_0&
105448 +2*e_1_2_0 &
105449 )
105450 e_1_3_0 = zeta*( c1*e_0_2_0 &
105451 +c2*e_1_2_0&
105452 +4*e_2_2_0 &
105453 -4*e_1_1_0)
105454 e_1_2_1 = zetb*( c1*e_0_2_0 &
105455 +c3*e_1_2_0&
105456 +4*e_2_2_0 &
105457 )
105458 e_2_3_0 = zeta*( c1*e_1_2_0 &
105459 +c2*e_2_2_0&
105460
105461 )
105462 e_2_2_1 = zetb*( c1*e_1_2_0 &
105463 +c3*e_2_2_0&
105464
105465 )
105466 e_3_3_0 = zeta*( c1*e_2_2_0 &
105467
105468
105469 )
105470 e_3_2_1 = zetb*( c1*e_2_2_0 &
105471
105472
105473 )
105474 e_0_4_0 = zeta*( &
105475 +c2*e_0_3_0&
105476 +2*e_1_3_0 &
105477 -6*e_0_2_0)
105478 e_0_3_1 = zetb*( &
105479 +c3*e_0_3_0&
105480 +2*e_1_3_0 &
105481 )
105482 e_1_4_0 = zeta*( c1*e_0_3_0 &
105483 +c2*e_1_3_0&
105484 +4*e_2_3_0 &
105485 -6*e_1_2_0)
105486 e_1_3_1 = zetb*( c1*e_0_3_0 &
105487 +c3*e_1_3_0&
105488 +4*e_2_3_0 &
105489 )
105490 e_2_4_0 = zeta*( c1*e_1_3_0 &
105491 +c2*e_2_3_0&
105492 +6*e_3_3_0 &
105493 -6*e_2_2_0)
105494 e_2_3_1 = zetb*( c1*e_1_3_0 &
105495 +c3*e_2_3_0&
105496 +6*e_3_3_0 &
105497 )
105498 e_3_4_0 = zeta*( c1*e_2_3_0 &
105499 +c2*e_3_3_0&
105500
105501 )
105502 e_3_3_1 = zetb*( c1*e_2_3_0 &
105503 +c3*e_3_3_0&
105504
105505 )
105506 e_4_4_0 = zeta*( c1*e_3_3_0 &
105507
105508
105509 )
105510 e_4_3_1 = zetb*( c1*e_3_3_0 &
105511
105512
105513 )
105514 e_0_4_1 = zetb*( &
105515 +c3*e_0_4_0&
105516 +2*e_1_4_0 &
105517 )
105518 e_1_4_1 = zetb*( c1*e_0_4_0 &
105519 +c3*e_1_4_0&
105520 +4*e_2_4_0 &
105521 )
105522 e_2_4_1 = zetb*( c1*e_1_4_0 &
105523 +c3*e_2_4_0&
105524 +6*e_3_4_0 &
105525 )
105526 e_3_4_1 = zetb*( c1*e_2_4_0 &
105527 +c3*e_3_4_0&
105528 +8*e_4_4_0 &
105529 )
105530 e_4_4_1 = zetb*( c1*e_3_4_0 &
105531 +c3*e_4_4_0&
105532
105533 )
105534 e_5_4_1 = zetb*( c1*e_4_4_0 &
105535
105536
105537 )
105538 e_0_1_1 = zeta*( &
105539 +c2*e_0_0_1&
105540 +2*e_1_0_1 &
105541 )
105542 e_0_0_2 = zetb*( &
105543 +c3*e_0_0_1&
105544 +2*e_1_0_1 &
105545 -2*e_0_0_0)
105546 e_1_1_1 = zeta*( c1*e_0_0_1 &
105547 +c2*e_1_0_1&
105548
105549 )
105550 e_1_0_2 = zetb*( c1*e_0_0_1 &
105551 +c3*e_1_0_1&
105552
105553 )
105554 e_2_1_1 = zeta*( c1*e_1_0_1 &
105555
105556
105557 )
105558 e_2_0_2 = zetb*( c1*e_1_0_1 &
105559
105560
105561 )
105562 e_0_2_1 = zeta*( &
105563 +c2*e_0_1_1&
105564 +2*e_1_1_1 &
105565 -2*e_0_0_1)
105566 e_0_1_2 = zetb*( &
105567 +c3*e_0_1_1&
105568 +2*e_1_1_1 &
105569 -2*e_0_1_0)
105570 e_1_2_1 = zeta*( c1*e_0_1_1 &
105571 +c2*e_1_1_1&
105572 +4*e_2_1_1 &
105573 -2*e_1_0_1)
105574 e_1_1_2 = zetb*( c1*e_0_1_1 &
105575 +c3*e_1_1_1&
105576 +4*e_2_1_1 &
105577 -2*e_1_1_0)
105578 e_2_2_1 = zeta*( c1*e_1_1_1 &
105579 +c2*e_2_1_1&
105580
105581 )
105582 e_2_1_2 = zetb*( c1*e_1_1_1 &
105583 +c3*e_2_1_1&
105584
105585 )
105586 e_3_2_1 = zeta*( c1*e_2_1_1 &
105587
105588
105589 )
105590 e_3_1_2 = zetb*( c1*e_2_1_1 &
105591
105592
105593 )
105594 e_0_3_1 = zeta*( &
105595 +c2*e_0_2_1&
105596 +2*e_1_2_1 &
105597 -4*e_0_1_1)
105598 e_0_2_2 = zetb*( &
105599 +c3*e_0_2_1&
105600 +2*e_1_2_1 &
105601 -2*e_0_2_0)
105602 e_1_3_1 = zeta*( c1*e_0_2_1 &
105603 +c2*e_1_2_1&
105604 +4*e_2_2_1 &
105605 -4*e_1_1_1)
105606 e_1_2_2 = zetb*( c1*e_0_2_1 &
105607 +c3*e_1_2_1&
105608 +4*e_2_2_1 &
105609 -2*e_1_2_0)
105610 e_2_3_1 = zeta*( c1*e_1_2_1 &
105611 +c2*e_2_2_1&
105612 +6*e_3_2_1 &
105613 -4*e_2_1_1)
105614 e_2_2_2 = zetb*( c1*e_1_2_1 &
105615 +c3*e_2_2_1&
105616 +6*e_3_2_1 &
105617 -2*e_2_2_0)
105618 e_3_3_1 = zeta*( c1*e_2_2_1 &
105619 +c2*e_3_2_1&
105620
105621 )
105622 e_3_2_2 = zetb*( c1*e_2_2_1 &
105623 +c3*e_3_2_1&
105624
105625 )
105626 e_4_3_1 = zeta*( c1*e_3_2_1 &
105627
105628
105629 )
105630 e_4_2_2 = zetb*( c1*e_3_2_1 &
105631
105632
105633 )
105634 e_0_4_1 = zeta*( &
105635 +c2*e_0_3_1&
105636 +2*e_1_3_1 &
105637 -6*e_0_2_1)
105638 e_0_3_2 = zetb*( &
105639 +c3*e_0_3_1&
105640 +2*e_1_3_1 &
105641 -2*e_0_3_0)
105642 e_1_4_1 = zeta*( c1*e_0_3_1 &
105643 +c2*e_1_3_1&
105644 +4*e_2_3_1 &
105645 -6*e_1_2_1)
105646 e_1_3_2 = zetb*( c1*e_0_3_1 &
105647 +c3*e_1_3_1&
105648 +4*e_2_3_1 &
105649 -2*e_1_3_0)
105650 e_2_4_1 = zeta*( c1*e_1_3_1 &
105651 +c2*e_2_3_1&
105652 +6*e_3_3_1 &
105653 -6*e_2_2_1)
105654 e_2_3_2 = zetb*( c1*e_1_3_1 &
105655 +c3*e_2_3_1&
105656 +6*e_3_3_1 &
105657 -2*e_2_3_0)
105658 e_3_4_1 = zeta*( c1*e_2_3_1 &
105659 +c2*e_3_3_1&
105660 +8*e_4_3_1 &
105661 -6*e_3_2_1)
105662 e_3_3_2 = zetb*( c1*e_2_3_1 &
105663 +c3*e_3_3_1&
105664 +8*e_4_3_1 &
105665 -2*e_3_3_0)
105666 e_4_4_1 = zeta*( c1*e_3_3_1 &
105667 +c2*e_4_3_1&
105668
105669 )
105670 e_4_3_2 = zetb*( c1*e_3_3_1 &
105671 +c3*e_4_3_1&
105672
105673 )
105674 e_5_4_1 = zeta*( c1*e_4_3_1 &
105675
105676
105677 )
105678 e_5_3_2 = zetb*( c1*e_4_3_1 &
105679
105680
105681 )
105682 e_0_4_2 = zetb*( &
105683 +c3*e_0_4_1&
105684 +2*e_1_4_1 &
105685 -2*e_0_4_0)
105686 e_1_4_2 = zetb*( c1*e_0_4_1 &
105687 +c3*e_1_4_1&
105688 +4*e_2_4_1 &
105689 -2*e_1_4_0)
105690 e_2_4_2 = zetb*( c1*e_1_4_1 &
105691 +c3*e_2_4_1&
105692 +6*e_3_4_1 &
105693 -2*e_2_4_0)
105694 e_3_4_2 = zetb*( c1*e_2_4_1 &
105695 +c3*e_3_4_1&
105696 +8*e_4_4_1 &
105697 -2*e_3_4_0)
105698 e_4_4_2 = zetb*( c1*e_3_4_1 &
105699 +c3*e_4_4_1&
105700 +10*e_5_4_1 &
105701 -2*e_4_4_0)
105702 e_5_4_2 = zetb*( c1*e_4_4_1 &
105703 +c3*e_5_4_1&
105704
105705 )
105706 e_6_4_2 = zetb*( c1*e_5_4_1 &
105707
105708
105709 )
105710 e_0_1_2 = zeta*( &
105711 +c2*e_0_0_2&
105712 +2*e_1_0_2 &
105713 )
105714 e_1_1_2 = zeta*( c1*e_0_0_2 &
105715 +c2*e_1_0_2&
105716 +4*e_2_0_2 &
105717 )
105718 e_2_1_2 = zeta*( c1*e_1_0_2 &
105719 +c2*e_2_0_2&
105720
105721 )
105722 e_3_1_2 = zeta*( c1*e_2_0_2 &
105723
105724
105725 )
105726 e_0_2_2 = zeta*( &
105727 +c2*e_0_1_2&
105728 +2*e_1_1_2 &
105729 -2*e_0_0_2)
105730 e_1_2_2 = zeta*( c1*e_0_1_2 &
105731 +c2*e_1_1_2&
105732 +4*e_2_1_2 &
105733 -2*e_1_0_2)
105734 e_2_2_2 = zeta*( c1*e_1_1_2 &
105735 +c2*e_2_1_2&
105736 +6*e_3_1_2 &
105737 -2*e_2_0_2)
105738 e_3_2_2 = zeta*( c1*e_2_1_2 &
105739 +c2*e_3_1_2&
105740
105741 )
105742 e_4_2_2 = zeta*( c1*e_3_1_2 &
105743
105744
105745 )
105746 e_0_3_2 = zeta*( &
105747 +c2*e_0_2_2&
105748 +2*e_1_2_2 &
105749 -4*e_0_1_2)
105750 e_1_3_2 = zeta*( c1*e_0_2_2 &
105751 +c2*e_1_2_2&
105752 +4*e_2_2_2 &
105753 -4*e_1_1_2)
105754 e_2_3_2 = zeta*( c1*e_1_2_2 &
105755 +c2*e_2_2_2&
105756 +6*e_3_2_2 &
105757 -4*e_2_1_2)
105758 e_3_3_2 = zeta*( c1*e_2_2_2 &
105759 +c2*e_3_2_2&
105760 +8*e_4_2_2 &
105761 -4*e_3_1_2)
105762 e_4_3_2 = zeta*( c1*e_3_2_2 &
105763 +c2*e_4_2_2&
105764
105765 )
105766 e_5_3_2 = zeta*( c1*e_4_2_2 &
105767
105768
105769 )
105770 e_0_4_2 = zeta*( &
105771 +c2*e_0_3_2&
105772 +2*e_1_3_2 &
105773 -6*e_0_2_2)
105774 e_1_4_2 = zeta*( c1*e_0_3_2 &
105775 +c2*e_1_3_2&
105776 +4*e_2_3_2 &
105777 -6*e_1_2_2)
105778 e_2_4_2 = zeta*( c1*e_1_3_2 &
105779 +c2*e_2_3_2&
105780 +6*e_3_3_2 &
105781 -6*e_2_2_2)
105782 e_3_4_2 = zeta*( c1*e_2_3_2 &
105783 +c2*e_3_3_2&
105784 +8*e_4_3_2 &
105785 -6*e_3_2_2)
105786 e_4_4_2 = zeta*( c1*e_3_3_2 &
105787 +c2*e_4_3_2&
105788 +10*e_5_3_2 &
105789 -6*e_4_2_2)
105790 e_5_4_2 = zeta*( c1*e_4_3_2 &
105791 +c2*e_5_3_2&
105792
105793 )
105794 e_6_4_2 = zeta*( c1*e_5_3_2 &
105795
105796
105797 )
105798
105799 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
105800 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
105801 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
105802 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
105803 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
105804 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105805 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
105806 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
105807 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105808 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105809 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
105810 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
105811 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105812 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105813 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105814 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
105815 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
105816 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
105817 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
105818 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105819 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
105820 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
105821 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105822 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105823 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
105824 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
105825 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105826 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105827 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105828 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
105829 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
105830 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105831 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105832 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105833 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105834 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
105835 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
105836 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105837 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
105838 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
105839 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105840 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105841 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
105842 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
105843 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105844 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105845 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105846 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
105847 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
105848 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105849 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105850 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105851 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105852 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
105853 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
105854 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105855 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105856 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105857 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105858 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105859 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
105860 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
105861 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
105862 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
105863 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
105864 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105865 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
105866 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
105867 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105868 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105869 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
105870 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
105871 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105872 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105873 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105874 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
105875 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
105876 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
105877 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
105878 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105879 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
105880 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
105881 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
105882 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
105883 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
105884 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
105885 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
105886 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
105887 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
105888 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
105889 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
105890 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
105891 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
105892 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
105893 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
105894 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
105895 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
105896 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
105897 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
105898 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
105899 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
105900 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
105901 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
105902 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
105903 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
105904 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
105905 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
105906 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
105907 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
105908 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
105909 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
105910 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
105911 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
105912 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
105913 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
105914 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
105915 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
105916 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
105917 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
105918 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
105919 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
105920 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
105921 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
105922 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105923 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
105924 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
105925 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105926 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105927 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
105928 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
105929 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105930 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105931 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105932 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
105933 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
105934 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
105935 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
105936 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105937 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
105938 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
105939 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105940 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105941 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
105942 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
105943 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105944 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105945 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105946 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
105947 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
105948 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105949 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105950 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105951 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105952 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
105953 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
105954 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105955 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
105956 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
105957 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105958 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105959 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
105960 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
105961 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105962 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105963 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105964 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
105965 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
105966 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105967 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105968 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105969 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105970 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
105971 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
105972 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105973 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105974 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105975 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105976 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105977 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
105978 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
105979 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
105980 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
105981 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
105982 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105983 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
105984 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
105985 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105986 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105987 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
105988 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
105989 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105990 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105991 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105992 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
105993 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
105994 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
105995 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
105996 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105997 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
105998 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
105999 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106000 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106001 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
106002 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
106003 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106004 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106005 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106006 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
106007 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
106008 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106009 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106010 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106011 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106012 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
106013 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
106014 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106015 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
106016 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
106017 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106018 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106019 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
106020 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
106021 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106022 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106023 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106024 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
106025 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
106026 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106027 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106028 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106029 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106030 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
106031 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
106032 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106033 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106034 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106035 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106036 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106037 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
106038 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
106039 r1 = r1 + dr
106040 END DO
106041
106042 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
106043 END SUBROUTINE
106044 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_4_exp_1 ( &
106045 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
106046 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
106047 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
106048 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
106049 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
106050 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
106051 r_pow_t, r_tmp, rr1_delta, rr2_delta
106052
106053 REAL(kind=dp) :: c1, c2, c3
106054 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
106055 & s_r_t_10
106056 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
106057 & s_r_t2_9, s_r_t2_10
106058 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
106059 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
106060 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
106061 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
106062 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
106063 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
106064 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
106065 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
106066 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
106067 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
106068 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
106069 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
106070
106071 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
106072
106073 dr = lgth
106074 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
106075
106076 s_r(:, :, :) = 0.0_dp
106077
106078 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
106079
106080 h_to_c_0_0 = sqrt(alpha/pi)
106081
106082 h_to_c_0_1 = 0.0_dp
106083 h_to_c_1_1 = +2*alpha*h_to_c_0_0
106084 h_to_c_0_2 = -1*h_to_c_1_1
106085 h_to_c_1_2 = +2*alpha*h_to_c_0_1
106086 h_to_c_2_2 = +2*alpha*h_to_c_1_1
106087 h_to_c_0_3 = -1*h_to_c_1_2
106088 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
106089 h_to_c_2_3 = +2*alpha*h_to_c_1_2
106090 h_to_c_3_3 = +2*alpha*h_to_c_2_2
106091 h_to_c_0_4 = -1*h_to_c_1_3
106092 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
106093 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
106094 h_to_c_3_4 = +2*alpha*h_to_c_2_3
106095 h_to_c_4_4 = +2*alpha*h_to_c_3_3
106096 h_to_c_0_5 = -1*h_to_c_1_4
106097 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
106098 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
106099 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
106100 h_to_c_4_5 = +2*alpha*h_to_c_3_4
106101 h_to_c_5_5 = +2*alpha*h_to_c_4_4
106102 h_to_c_0_6 = -1*h_to_c_1_5
106103 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
106104 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
106105 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
106106 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
106107 h_to_c_5_6 = +2*alpha*h_to_c_4_5
106108 h_to_c_6_6 = +2*alpha*h_to_c_5_5
106109 h_to_c_0_7 = -1*h_to_c_1_6
106110 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
106111 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
106112 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
106113 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
106114 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
106115 h_to_c_6_7 = +2*alpha*h_to_c_5_6
106116 h_to_c_7_7 = +2*alpha*h_to_c_6_6
106117 h_to_c_0_8 = -1*h_to_c_1_7
106118 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
106119 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
106120 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
106121 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
106122 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
106123 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
106124 h_to_c_7_8 = +2*alpha*h_to_c_6_7
106125 h_to_c_8_8 = +2*alpha*h_to_c_7_7
106126 h_to_c_0_9 = -1*h_to_c_1_8
106127 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
106128 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
106129 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
106130 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
106131 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
106132 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
106133 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
106134 h_to_c_8_9 = +2*alpha*h_to_c_7_8
106135 h_to_c_9_9 = +2*alpha*h_to_c_8_8
106136 h_to_c_0_10 = -1*h_to_c_1_9
106137 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
106138 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
106139 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
106140 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
106141 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
106142 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
106143 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
106144 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
106145 h_to_c_9_10 = +2*alpha*h_to_c_8_9
106146 h_to_c_10_10 = +2*alpha*h_to_c_9_9
106147
106148 exp_drsq = exp(-alpha*dr*dr)
106149 exp_2drsq = exp_drsq*exp_drsq
106150
106151 rr1_delta = (ra - rb)/dr
106152
106153 rr1_l = ceiling(-r_c(1) + rr1_delta)
106154 rr1_r = floor(r_c(1) + rr1_delta)
106155
106156 r1 = rr1_l*dr
106157
106158 alpha_e = zeta*zetb/(zeta + zetb)
106159
106160 DO rr1 = rr1_l, rr1_r
106161 s_r_t_0 = 0.0_dp
106162 s_r_t2_0 = 0.0_dp
106163 s_r_t_1 = 0.0_dp
106164 s_r_t2_1 = 0.0_dp
106165 s_r_t_2 = 0.0_dp
106166 s_r_t2_2 = 0.0_dp
106167 s_r_t_3 = 0.0_dp
106168 s_r_t2_3 = 0.0_dp
106169 s_r_t_4 = 0.0_dp
106170 s_r_t2_4 = 0.0_dp
106171 s_r_t_5 = 0.0_dp
106172 s_r_t2_5 = 0.0_dp
106173 s_r_t_6 = 0.0_dp
106174 s_r_t2_6 = 0.0_dp
106175 s_r_t_7 = 0.0_dp
106176 s_r_t2_7 = 0.0_dp
106177 s_r_t_8 = 0.0_dp
106178 s_r_t2_8 = 0.0_dp
106179 s_r_t_9 = 0.0_dp
106180 s_r_t2_9 = 0.0_dp
106181 s_r_t_10 = 0.0_dp
106182 s_r_t2_10 = 0.0_dp
106183 r_tmp = r_offset + r1*zeta/(zeta + zetb)
106184 rr2_delta = -r_tmp/dr
106185
106186 rr2_l = ceiling(-r_c(2) + rr2_delta)
106187 rr2_r = floor(r_c(2) + rr2_delta)
106188
106189 r = r_tmp + (rr2_l)*dr
106190
106191 exp2_2rdr = exp(-2*alpha*r*dr)
106192 exp2_rsq = exp(-alpha*r*r)
106193
106194 DO rr2 = rr2_l, rr2_r
106195 r_pow_t = 1.0_dp
106196 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
106197 r_pow_t = r_pow_t*r
106198 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
106199 r_pow_t = r_pow_t*r
106200 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
106201 r_pow_t = r_pow_t*r
106202 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
106203 r_pow_t = r_pow_t*r
106204 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
106205 r_pow_t = r_pow_t*r
106206 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
106207 r_pow_t = r_pow_t*r
106208 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
106209 r_pow_t = r_pow_t*r
106210 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
106211 r_pow_t = r_pow_t*r
106212 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
106213 r_pow_t = r_pow_t*r
106214 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
106215 r_pow_t = r_pow_t*r
106216 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
106217
106218 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
106219 exp2_2rdr = exp2_2rdr*exp_2drsq
106220 r = r + dr
106221 END DO
106222
106223 ! C --> H
106224 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
106225 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
106226 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
106227 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
106228 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
106229 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
106230 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
106231 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
106232 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
106233 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
106234 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
106235 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
106236 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
106237 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
106238 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
106239 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
106240 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
106241 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
106242 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
106243 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
106244 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
106245 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
106246 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
106247 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
106248 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
106249 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
106250 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
106251 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
106252 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
106253 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
106254 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
106255 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
106256 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
106257 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
106258 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
106259 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
106260 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
106261 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
106262 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
106263 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
106264 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
106265 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
106266 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
106267 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
106268 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
106269 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
106270 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
106271 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
106272 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
106273 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
106274 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
106275 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
106276 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
106277 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
106278 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
106279 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
106280 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
106281 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
106282 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
106283 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
106284 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
106285 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
106286 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
106287 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
106288 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
106289 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
106290
106291 ! H --> HH
106292 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
106293
106294 c1 = 1.0_dp/(zeta + zetb)
106295 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
106296 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
106297
106298 e_0_1_0 = zeta*( &
106299 +c2*e_0_0_0&
106300
106301 )
106302 e_0_0_1 = zetb*( &
106303 +c3*e_0_0_0&
106304
106305 )
106306 e_1_1_0 = zeta*( c1*e_0_0_0 &
106307
106308
106309 )
106310 e_1_0_1 = zetb*( c1*e_0_0_0 &
106311
106312
106313 )
106314 e_0_2_0 = zeta*( &
106315 +c2*e_0_1_0&
106316 +2*e_1_1_0 &
106317 -2*e_0_0_0)
106318 e_0_1_1 = zetb*( &
106319 +c3*e_0_1_0&
106320 +2*e_1_1_0 &
106321 )
106322 e_1_2_0 = zeta*( c1*e_0_1_0 &
106323 +c2*e_1_1_0&
106324
106325 )
106326 e_1_1_1 = zetb*( c1*e_0_1_0 &
106327 +c3*e_1_1_0&
106328
106329 )
106330 e_2_2_0 = zeta*( c1*e_1_1_0 &
106331
106332
106333 )
106334 e_2_1_1 = zetb*( c1*e_1_1_0 &
106335
106336
106337 )
106338 e_0_3_0 = zeta*( &
106339 +c2*e_0_2_0&
106340 +2*e_1_2_0 &
106341 -4*e_0_1_0)
106342 e_0_2_1 = zetb*( &
106343 +c3*e_0_2_0&
106344 +2*e_1_2_0 &
106345 )
106346 e_1_3_0 = zeta*( c1*e_0_2_0 &
106347 +c2*e_1_2_0&
106348 +4*e_2_2_0 &
106349 -4*e_1_1_0)
106350 e_1_2_1 = zetb*( c1*e_0_2_0 &
106351 +c3*e_1_2_0&
106352 +4*e_2_2_0 &
106353 )
106354 e_2_3_0 = zeta*( c1*e_1_2_0 &
106355 +c2*e_2_2_0&
106356
106357 )
106358 e_2_2_1 = zetb*( c1*e_1_2_0 &
106359 +c3*e_2_2_0&
106360
106361 )
106362 e_3_3_0 = zeta*( c1*e_2_2_0 &
106363
106364
106365 )
106366 e_3_2_1 = zetb*( c1*e_2_2_0 &
106367
106368
106369 )
106370 e_0_4_0 = zeta*( &
106371 +c2*e_0_3_0&
106372 +2*e_1_3_0 &
106373 -6*e_0_2_0)
106374 e_0_3_1 = zetb*( &
106375 +c3*e_0_3_0&
106376 +2*e_1_3_0 &
106377 )
106378 e_1_4_0 = zeta*( c1*e_0_3_0 &
106379 +c2*e_1_3_0&
106380 +4*e_2_3_0 &
106381 -6*e_1_2_0)
106382 e_1_3_1 = zetb*( c1*e_0_3_0 &
106383 +c3*e_1_3_0&
106384 +4*e_2_3_0 &
106385 )
106386 e_2_4_0 = zeta*( c1*e_1_3_0 &
106387 +c2*e_2_3_0&
106388 +6*e_3_3_0 &
106389 -6*e_2_2_0)
106390 e_2_3_1 = zetb*( c1*e_1_3_0 &
106391 +c3*e_2_3_0&
106392 +6*e_3_3_0 &
106393 )
106394 e_3_4_0 = zeta*( c1*e_2_3_0 &
106395 +c2*e_3_3_0&
106396
106397 )
106398 e_3_3_1 = zetb*( c1*e_2_3_0 &
106399 +c3*e_3_3_0&
106400
106401 )
106402 e_4_4_0 = zeta*( c1*e_3_3_0 &
106403
106404
106405 )
106406 e_4_3_1 = zetb*( c1*e_3_3_0 &
106407
106408
106409 )
106410 e_0_4_1 = zetb*( &
106411 +c3*e_0_4_0&
106412 +2*e_1_4_0 &
106413 )
106414 e_1_4_1 = zetb*( c1*e_0_4_0 &
106415 +c3*e_1_4_0&
106416 +4*e_2_4_0 &
106417 )
106418 e_2_4_1 = zetb*( c1*e_1_4_0 &
106419 +c3*e_2_4_0&
106420 +6*e_3_4_0 &
106421 )
106422 e_3_4_1 = zetb*( c1*e_2_4_0 &
106423 +c3*e_3_4_0&
106424 +8*e_4_4_0 &
106425 )
106426 e_4_4_1 = zetb*( c1*e_3_4_0 &
106427 +c3*e_4_4_0&
106428
106429 )
106430 e_5_4_1 = zetb*( c1*e_4_4_0 &
106431
106432
106433 )
106434 e_0_1_1 = zeta*( &
106435 +c2*e_0_0_1&
106436 +2*e_1_0_1 &
106437 )
106438 e_0_0_2 = zetb*( &
106439 +c3*e_0_0_1&
106440 +2*e_1_0_1 &
106441 -2*e_0_0_0)
106442 e_1_1_1 = zeta*( c1*e_0_0_1 &
106443 +c2*e_1_0_1&
106444
106445 )
106446 e_1_0_2 = zetb*( c1*e_0_0_1 &
106447 +c3*e_1_0_1&
106448
106449 )
106450 e_2_1_1 = zeta*( c1*e_1_0_1 &
106451
106452
106453 )
106454 e_2_0_2 = zetb*( c1*e_1_0_1 &
106455
106456
106457 )
106458 e_0_2_1 = zeta*( &
106459 +c2*e_0_1_1&
106460 +2*e_1_1_1 &
106461 -2*e_0_0_1)
106462 e_0_1_2 = zetb*( &
106463 +c3*e_0_1_1&
106464 +2*e_1_1_1 &
106465 -2*e_0_1_0)
106466 e_1_2_1 = zeta*( c1*e_0_1_1 &
106467 +c2*e_1_1_1&
106468 +4*e_2_1_1 &
106469 -2*e_1_0_1)
106470 e_1_1_2 = zetb*( c1*e_0_1_1 &
106471 +c3*e_1_1_1&
106472 +4*e_2_1_1 &
106473 -2*e_1_1_0)
106474 e_2_2_1 = zeta*( c1*e_1_1_1 &
106475 +c2*e_2_1_1&
106476
106477 )
106478 e_2_1_2 = zetb*( c1*e_1_1_1 &
106479 +c3*e_2_1_1&
106480
106481 )
106482 e_3_2_1 = zeta*( c1*e_2_1_1 &
106483
106484
106485 )
106486 e_3_1_2 = zetb*( c1*e_2_1_1 &
106487
106488
106489 )
106490 e_0_3_1 = zeta*( &
106491 +c2*e_0_2_1&
106492 +2*e_1_2_1 &
106493 -4*e_0_1_1)
106494 e_0_2_2 = zetb*( &
106495 +c3*e_0_2_1&
106496 +2*e_1_2_1 &
106497 -2*e_0_2_0)
106498 e_1_3_1 = zeta*( c1*e_0_2_1 &
106499 +c2*e_1_2_1&
106500 +4*e_2_2_1 &
106501 -4*e_1_1_1)
106502 e_1_2_2 = zetb*( c1*e_0_2_1 &
106503 +c3*e_1_2_1&
106504 +4*e_2_2_1 &
106505 -2*e_1_2_0)
106506 e_2_3_1 = zeta*( c1*e_1_2_1 &
106507 +c2*e_2_2_1&
106508 +6*e_3_2_1 &
106509 -4*e_2_1_1)
106510 e_2_2_2 = zetb*( c1*e_1_2_1 &
106511 +c3*e_2_2_1&
106512 +6*e_3_2_1 &
106513 -2*e_2_2_0)
106514 e_3_3_1 = zeta*( c1*e_2_2_1 &
106515 +c2*e_3_2_1&
106516
106517 )
106518 e_3_2_2 = zetb*( c1*e_2_2_1 &
106519 +c3*e_3_2_1&
106520
106521 )
106522 e_4_3_1 = zeta*( c1*e_3_2_1 &
106523
106524
106525 )
106526 e_4_2_2 = zetb*( c1*e_3_2_1 &
106527
106528
106529 )
106530 e_0_4_1 = zeta*( &
106531 +c2*e_0_3_1&
106532 +2*e_1_3_1 &
106533 -6*e_0_2_1)
106534 e_0_3_2 = zetb*( &
106535 +c3*e_0_3_1&
106536 +2*e_1_3_1 &
106537 -2*e_0_3_0)
106538 e_1_4_1 = zeta*( c1*e_0_3_1 &
106539 +c2*e_1_3_1&
106540 +4*e_2_3_1 &
106541 -6*e_1_2_1)
106542 e_1_3_2 = zetb*( c1*e_0_3_1 &
106543 +c3*e_1_3_1&
106544 +4*e_2_3_1 &
106545 -2*e_1_3_0)
106546 e_2_4_1 = zeta*( c1*e_1_3_1 &
106547 +c2*e_2_3_1&
106548 +6*e_3_3_1 &
106549 -6*e_2_2_1)
106550 e_2_3_2 = zetb*( c1*e_1_3_1 &
106551 +c3*e_2_3_1&
106552 +6*e_3_3_1 &
106553 -2*e_2_3_0)
106554 e_3_4_1 = zeta*( c1*e_2_3_1 &
106555 +c2*e_3_3_1&
106556 +8*e_4_3_1 &
106557 -6*e_3_2_1)
106558 e_3_3_2 = zetb*( c1*e_2_3_1 &
106559 +c3*e_3_3_1&
106560 +8*e_4_3_1 &
106561 -2*e_3_3_0)
106562 e_4_4_1 = zeta*( c1*e_3_3_1 &
106563 +c2*e_4_3_1&
106564
106565 )
106566 e_4_3_2 = zetb*( c1*e_3_3_1 &
106567 +c3*e_4_3_1&
106568
106569 )
106570 e_5_4_1 = zeta*( c1*e_4_3_1 &
106571
106572
106573 )
106574 e_5_3_2 = zetb*( c1*e_4_3_1 &
106575
106576
106577 )
106578 e_0_4_2 = zetb*( &
106579 +c3*e_0_4_1&
106580 +2*e_1_4_1 &
106581 -2*e_0_4_0)
106582 e_1_4_2 = zetb*( c1*e_0_4_1 &
106583 +c3*e_1_4_1&
106584 +4*e_2_4_1 &
106585 -2*e_1_4_0)
106586 e_2_4_2 = zetb*( c1*e_1_4_1 &
106587 +c3*e_2_4_1&
106588 +6*e_3_4_1 &
106589 -2*e_2_4_0)
106590 e_3_4_2 = zetb*( c1*e_2_4_1 &
106591 +c3*e_3_4_1&
106592 +8*e_4_4_1 &
106593 -2*e_3_4_0)
106594 e_4_4_2 = zetb*( c1*e_3_4_1 &
106595 +c3*e_4_4_1&
106596 +10*e_5_4_1 &
106597 -2*e_4_4_0)
106598 e_5_4_2 = zetb*( c1*e_4_4_1 &
106599 +c3*e_5_4_1&
106600
106601 )
106602 e_6_4_2 = zetb*( c1*e_5_4_1 &
106603
106604
106605 )
106606 e_0_1_2 = zeta*( &
106607 +c2*e_0_0_2&
106608 +2*e_1_0_2 &
106609 )
106610 e_1_1_2 = zeta*( c1*e_0_0_2 &
106611 +c2*e_1_0_2&
106612 +4*e_2_0_2 &
106613 )
106614 e_2_1_2 = zeta*( c1*e_1_0_2 &
106615 +c2*e_2_0_2&
106616
106617 )
106618 e_3_1_2 = zeta*( c1*e_2_0_2 &
106619
106620
106621 )
106622 e_0_2_2 = zeta*( &
106623 +c2*e_0_1_2&
106624 +2*e_1_1_2 &
106625 -2*e_0_0_2)
106626 e_1_2_2 = zeta*( c1*e_0_1_2 &
106627 +c2*e_1_1_2&
106628 +4*e_2_1_2 &
106629 -2*e_1_0_2)
106630 e_2_2_2 = zeta*( c1*e_1_1_2 &
106631 +c2*e_2_1_2&
106632 +6*e_3_1_2 &
106633 -2*e_2_0_2)
106634 e_3_2_2 = zeta*( c1*e_2_1_2 &
106635 +c2*e_3_1_2&
106636
106637 )
106638 e_4_2_2 = zeta*( c1*e_3_1_2 &
106639
106640
106641 )
106642 e_0_3_2 = zeta*( &
106643 +c2*e_0_2_2&
106644 +2*e_1_2_2 &
106645 -4*e_0_1_2)
106646 e_1_3_2 = zeta*( c1*e_0_2_2 &
106647 +c2*e_1_2_2&
106648 +4*e_2_2_2 &
106649 -4*e_1_1_2)
106650 e_2_3_2 = zeta*( c1*e_1_2_2 &
106651 +c2*e_2_2_2&
106652 +6*e_3_2_2 &
106653 -4*e_2_1_2)
106654 e_3_3_2 = zeta*( c1*e_2_2_2 &
106655 +c2*e_3_2_2&
106656 +8*e_4_2_2 &
106657 -4*e_3_1_2)
106658 e_4_3_2 = zeta*( c1*e_3_2_2 &
106659 +c2*e_4_2_2&
106660
106661 )
106662 e_5_3_2 = zeta*( c1*e_4_2_2 &
106663
106664
106665 )
106666 e_0_4_2 = zeta*( &
106667 +c2*e_0_3_2&
106668 +2*e_1_3_2 &
106669 -6*e_0_2_2)
106670 e_1_4_2 = zeta*( c1*e_0_3_2 &
106671 +c2*e_1_3_2&
106672 +4*e_2_3_2 &
106673 -6*e_1_2_2)
106674 e_2_4_2 = zeta*( c1*e_1_3_2 &
106675 +c2*e_2_3_2&
106676 +6*e_3_3_2 &
106677 -6*e_2_2_2)
106678 e_3_4_2 = zeta*( c1*e_2_3_2 &
106679 +c2*e_3_3_2&
106680 +8*e_4_3_2 &
106681 -6*e_3_2_2)
106682 e_4_4_2 = zeta*( c1*e_3_3_2 &
106683 +c2*e_4_3_2&
106684 +10*e_5_3_2 &
106685 -6*e_4_2_2)
106686 e_5_4_2 = zeta*( c1*e_4_3_2 &
106687 +c2*e_5_3_2&
106688
106689 )
106690 e_6_4_2 = zeta*( c1*e_5_3_2 &
106691
106692
106693 )
106694
106695 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
106696 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
106697 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
106698 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
106699 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
106700 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
106701 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
106702 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
106703 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
106704 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
106705 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
106706 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
106707 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
106708 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
106709 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106710 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
106711 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
106712 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
106713 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
106714 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
106715 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
106716 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
106717 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
106718 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
106719 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
106720 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
106721 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
106722 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
106723 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106724 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
106725 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
106726 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
106727 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
106728 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106729 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106730 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
106731 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
106732 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
106733 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
106734 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
106735 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
106736 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
106737 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
106738 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
106739 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
106740 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
106741 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106742 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
106743 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
106744 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
106745 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
106746 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106747 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106748 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
106749 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
106750 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
106751 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
106752 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106753 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106754 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106755 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
106756 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
106757 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
106758 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
106759 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
106760 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
106761 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
106762 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
106763 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
106764 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
106765 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
106766 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
106767 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
106768 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
106769 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
106770 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
106771 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
106772 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
106773 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
106774 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
106775 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
106776 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
106777 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106778 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106779 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
106780 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
106781 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106782 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106783 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106784 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
106785 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
106786 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106787 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106788 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106789 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106790 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
106791 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
106792 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106793 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
106794 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
106795 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106796 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106797 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
106798 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
106799 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106800 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106801 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106802 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
106803 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
106804 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106805 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106806 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106807 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106808 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
106809 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
106810 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106811 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106812 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106813 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106814 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106815 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
106816 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
106817 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
106818 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
106819 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
106820 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
106821 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
106822 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
106823 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
106824 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
106825 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
106826 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
106827 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106828 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
106829 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
106830 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
106831 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
106832 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
106833 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
106834 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
106835 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
106836 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
106837 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
106838 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
106839 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
106840 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
106841 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106842 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
106843 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
106844 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
106845 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
106846 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106847 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106848 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
106849 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
106850 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
106851 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
106852 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
106853 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
106854 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
106855 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
106856 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
106857 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
106858 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
106859 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106860 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
106861 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
106862 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
106863 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
106864 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106865 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106866 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
106867 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
106868 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
106869 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
106870 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106871 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106872 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106873 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
106874 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
106875 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
106876 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
106877 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
106878 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
106879 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
106880 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
106881 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
106882 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
106883 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
106884 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
106885 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
106886 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
106887 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
106888 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
106889 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
106890 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
106891 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
106892 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
106893 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
106894 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
106895 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106896 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106897 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
106898 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
106899 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106900 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106901 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106902 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
106903 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
106904 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106905 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106906 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106907 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106908 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
106909 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
106910 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106911 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
106912 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
106913 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106914 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106915 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
106916 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
106917 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106918 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106919 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106920 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
106921 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
106922 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106923 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106924 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106925 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106926 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
106927 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
106928 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106929 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106930 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106931 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106932 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106933 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
106934 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
106935 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
106936 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
106937 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
106938 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
106939 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
106940 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
106941 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
106942 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
106943 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
106944 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
106945 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106946 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
106947 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
106948 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
106949 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
106950 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
106951 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
106952 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
106953 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
106954 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
106955 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
106956 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
106957 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
106958 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
106959 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106960 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
106961 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
106962 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
106963 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
106964 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106965 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106966 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
106967 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
106968 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
106969 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
106970 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
106971 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
106972 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
106973 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
106974 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
106975 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
106976 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
106977 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106978 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
106979 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
106980 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
106981 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
106982 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106983 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106984 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
106985 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
106986 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
106987 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
106988 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106989 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106990 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106991 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
106992 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
106993 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
106994 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
106995 r1 = r1 + dr
106996 END DO
106997
106998 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
106999 END SUBROUTINE
107000 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_0_exp_1 ( &
107001 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
107002 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
107003 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
107004 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
107005 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
107006 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
107007 r_pow_t, r_tmp, rr1_delta, rr2_delta
107008
107009 REAL(kind=dp) :: c1, c2, c3
107010 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
107011 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
107012 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
107013 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
107014 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
107015 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
107016 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
107017 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
107018 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
107019 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
107020 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
107021 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
107022 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
107023
107024 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
107025
107026 dr = lgth
107027 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
107028
107029 s_r(:, :, :) = 0.0_dp
107030
107031 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
107032
107033 h_to_c_0_0 = sqrt(alpha/pi)
107034
107035 h_to_c_0_1 = 0.0_dp
107036 h_to_c_1_1 = +2*alpha*h_to_c_0_0
107037 h_to_c_0_2 = -1*h_to_c_1_1
107038 h_to_c_1_2 = +2*alpha*h_to_c_0_1
107039 h_to_c_2_2 = +2*alpha*h_to_c_1_1
107040 h_to_c_0_3 = -1*h_to_c_1_2
107041 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
107042 h_to_c_2_3 = +2*alpha*h_to_c_1_2
107043 h_to_c_3_3 = +2*alpha*h_to_c_2_2
107044 h_to_c_0_4 = -1*h_to_c_1_3
107045 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
107046 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
107047 h_to_c_3_4 = +2*alpha*h_to_c_2_3
107048 h_to_c_4_4 = +2*alpha*h_to_c_3_3
107049 h_to_c_0_5 = -1*h_to_c_1_4
107050 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
107051 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
107052 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
107053 h_to_c_4_5 = +2*alpha*h_to_c_3_4
107054 h_to_c_5_5 = +2*alpha*h_to_c_4_4
107055 h_to_c_0_6 = -1*h_to_c_1_5
107056 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
107057 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
107058 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
107059 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
107060 h_to_c_5_6 = +2*alpha*h_to_c_4_5
107061 h_to_c_6_6 = +2*alpha*h_to_c_5_5
107062 h_to_c_0_7 = -1*h_to_c_1_6
107063 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
107064 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
107065 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
107066 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
107067 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
107068 h_to_c_6_7 = +2*alpha*h_to_c_5_6
107069 h_to_c_7_7 = +2*alpha*h_to_c_6_6
107070
107071 exp_drsq = exp(-alpha*dr*dr)
107072 exp_2drsq = exp_drsq*exp_drsq
107073
107074 rr1_delta = (ra - rb)/dr
107075
107076 rr1_l = ceiling(-r_c(1) + rr1_delta)
107077 rr1_r = floor(r_c(1) + rr1_delta)
107078
107079 r1 = rr1_l*dr
107080
107081 alpha_e = zeta*zetb/(zeta + zetb)
107082
107083 DO rr1 = rr1_l, rr1_r
107084 s_r_t_0 = 0.0_dp
107085 s_r_t2_0 = 0.0_dp
107086 s_r_t_1 = 0.0_dp
107087 s_r_t2_1 = 0.0_dp
107088 s_r_t_2 = 0.0_dp
107089 s_r_t2_2 = 0.0_dp
107090 s_r_t_3 = 0.0_dp
107091 s_r_t2_3 = 0.0_dp
107092 s_r_t_4 = 0.0_dp
107093 s_r_t2_4 = 0.0_dp
107094 s_r_t_5 = 0.0_dp
107095 s_r_t2_5 = 0.0_dp
107096 s_r_t_6 = 0.0_dp
107097 s_r_t2_6 = 0.0_dp
107098 s_r_t_7 = 0.0_dp
107099 s_r_t2_7 = 0.0_dp
107100 r_tmp = r_offset + r1*zeta/(zeta + zetb)
107101 rr2_delta = -r_tmp/dr
107102
107103 rr2_l = ceiling(-r_c(2) + rr2_delta)
107104 rr2_r = floor(r_c(2) + rr2_delta)
107105
107106 r = r_tmp + (rr2_l)*dr
107107
107108 exp2_2rdr = exp(-2*alpha*r*dr)
107109 exp2_rsq = exp(-alpha*r*r)
107110
107111 DO rr2 = rr2_l, rr2_r
107112 r_pow_t = 1.0_dp
107113 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
107114 r_pow_t = r_pow_t*r
107115 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
107116 r_pow_t = r_pow_t*r
107117 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
107118 r_pow_t = r_pow_t*r
107119 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
107120 r_pow_t = r_pow_t*r
107121 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
107122 r_pow_t = r_pow_t*r
107123 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
107124 r_pow_t = r_pow_t*r
107125 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
107126 r_pow_t = r_pow_t*r
107127 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
107128
107129 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
107130 exp2_2rdr = exp2_2rdr*exp_2drsq
107131 r = r + dr
107132 END DO
107133
107134 ! C --> H
107135 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
107136 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
107137 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
107138 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
107139 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
107140 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
107141 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
107142 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
107143 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
107144 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
107145 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
107146 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
107147 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
107148 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
107149 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
107150 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
107151 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
107152 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
107153 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
107154 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
107155 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
107156 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
107157 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
107158 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
107159 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
107160 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
107161 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
107162 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
107163 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
107164 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
107165 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
107166 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
107167 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
107168 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
107169 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
107170 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
107171
107172 ! H --> HH
107173 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
107174
107175 c1 = 1.0_dp/(zeta + zetb)
107176 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
107177 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
107178
107179 e_0_1_0 = zeta*( &
107180 +c2*e_0_0_0&
107181
107182 )
107183 e_0_0_1 = zetb*( &
107184 +c3*e_0_0_0&
107185
107186 )
107187 e_1_1_0 = zeta*( c1*e_0_0_0 &
107188
107189
107190 )
107191 e_1_0_1 = zetb*( c1*e_0_0_0 &
107192
107193
107194 )
107195 e_0_2_0 = zeta*( &
107196 +c2*e_0_1_0&
107197 +2*e_1_1_0 &
107198 -2*e_0_0_0)
107199 e_0_1_1 = zetb*( &
107200 +c3*e_0_1_0&
107201 +2*e_1_1_0 &
107202 )
107203 e_1_2_0 = zeta*( c1*e_0_1_0 &
107204 +c2*e_1_1_0&
107205
107206 )
107207 e_1_1_1 = zetb*( c1*e_0_1_0 &
107208 +c3*e_1_1_0&
107209
107210 )
107211 e_2_2_0 = zeta*( c1*e_1_1_0 &
107212
107213
107214 )
107215 e_2_1_1 = zetb*( c1*e_1_1_0 &
107216
107217
107218 )
107219 e_0_3_0 = zeta*( &
107220 +c2*e_0_2_0&
107221 +2*e_1_2_0 &
107222 -4*e_0_1_0)
107223 e_0_2_1 = zetb*( &
107224 +c3*e_0_2_0&
107225 +2*e_1_2_0 &
107226 )
107227 e_1_3_0 = zeta*( c1*e_0_2_0 &
107228 +c2*e_1_2_0&
107229 +4*e_2_2_0 &
107230 -4*e_1_1_0)
107231 e_1_2_1 = zetb*( c1*e_0_2_0 &
107232 +c3*e_1_2_0&
107233 +4*e_2_2_0 &
107234 )
107235 e_2_3_0 = zeta*( c1*e_1_2_0 &
107236 +c2*e_2_2_0&
107237
107238 )
107239 e_2_2_1 = zetb*( c1*e_1_2_0 &
107240 +c3*e_2_2_0&
107241
107242 )
107243 e_3_3_0 = zeta*( c1*e_2_2_0 &
107244
107245
107246 )
107247 e_3_2_1 = zetb*( c1*e_2_2_0 &
107248
107249
107250 )
107251 e_0_4_0 = zeta*( &
107252 +c2*e_0_3_0&
107253 +2*e_1_3_0 &
107254 -6*e_0_2_0)
107255 e_0_3_1 = zetb*( &
107256 +c3*e_0_3_0&
107257 +2*e_1_3_0 &
107258 )
107259 e_1_4_0 = zeta*( c1*e_0_3_0 &
107260 +c2*e_1_3_0&
107261 +4*e_2_3_0 &
107262 -6*e_1_2_0)
107263 e_1_3_1 = zetb*( c1*e_0_3_0 &
107264 +c3*e_1_3_0&
107265 +4*e_2_3_0 &
107266 )
107267 e_2_4_0 = zeta*( c1*e_1_3_0 &
107268 +c2*e_2_3_0&
107269 +6*e_3_3_0 &
107270 -6*e_2_2_0)
107271 e_2_3_1 = zetb*( c1*e_1_3_0 &
107272 +c3*e_2_3_0&
107273 +6*e_3_3_0 &
107274 )
107275 e_3_4_0 = zeta*( c1*e_2_3_0 &
107276 +c2*e_3_3_0&
107277
107278 )
107279 e_3_3_1 = zetb*( c1*e_2_3_0 &
107280 +c3*e_3_3_0&
107281
107282 )
107283 e_4_4_0 = zeta*( c1*e_3_3_0 &
107284
107285
107286 )
107287 e_4_3_1 = zetb*( c1*e_3_3_0 &
107288
107289
107290 )
107291 e_0_4_1 = zetb*( &
107292 +c3*e_0_4_0&
107293 +2*e_1_4_0 &
107294 )
107295 e_1_4_1 = zetb*( c1*e_0_4_0 &
107296 +c3*e_1_4_0&
107297 +4*e_2_4_0 &
107298 )
107299 e_2_4_1 = zetb*( c1*e_1_4_0 &
107300 +c3*e_2_4_0&
107301 +6*e_3_4_0 &
107302 )
107303 e_3_4_1 = zetb*( c1*e_2_4_0 &
107304 +c3*e_3_4_0&
107305 +8*e_4_4_0 &
107306 )
107307 e_4_4_1 = zetb*( c1*e_3_4_0 &
107308 +c3*e_4_4_0&
107309
107310 )
107311 e_5_4_1 = zetb*( c1*e_4_4_0 &
107312
107313
107314 )
107315 e_0_1_1 = zeta*( &
107316 +c2*e_0_0_1&
107317 +2*e_1_0_1 &
107318 )
107319 e_0_0_2 = zetb*( &
107320 +c3*e_0_0_1&
107321 +2*e_1_0_1 &
107322 -2*e_0_0_0)
107323 e_1_1_1 = zeta*( c1*e_0_0_1 &
107324 +c2*e_1_0_1&
107325
107326 )
107327 e_1_0_2 = zetb*( c1*e_0_0_1 &
107328 +c3*e_1_0_1&
107329
107330 )
107331 e_2_1_1 = zeta*( c1*e_1_0_1 &
107332
107333
107334 )
107335 e_2_0_2 = zetb*( c1*e_1_0_1 &
107336
107337
107338 )
107339 e_0_2_1 = zeta*( &
107340 +c2*e_0_1_1&
107341 +2*e_1_1_1 &
107342 -2*e_0_0_1)
107343 e_0_1_2 = zetb*( &
107344 +c3*e_0_1_1&
107345 +2*e_1_1_1 &
107346 -2*e_0_1_0)
107347 e_1_2_1 = zeta*( c1*e_0_1_1 &
107348 +c2*e_1_1_1&
107349 +4*e_2_1_1 &
107350 -2*e_1_0_1)
107351 e_1_1_2 = zetb*( c1*e_0_1_1 &
107352 +c3*e_1_1_1&
107353 +4*e_2_1_1 &
107354 -2*e_1_1_0)
107355 e_2_2_1 = zeta*( c1*e_1_1_1 &
107356 +c2*e_2_1_1&
107357
107358 )
107359 e_2_1_2 = zetb*( c1*e_1_1_1 &
107360 +c3*e_2_1_1&
107361
107362 )
107363 e_3_2_1 = zeta*( c1*e_2_1_1 &
107364
107365
107366 )
107367 e_3_1_2 = zetb*( c1*e_2_1_1 &
107368
107369
107370 )
107371 e_0_3_1 = zeta*( &
107372 +c2*e_0_2_1&
107373 +2*e_1_2_1 &
107374 -4*e_0_1_1)
107375 e_0_2_2 = zetb*( &
107376 +c3*e_0_2_1&
107377 +2*e_1_2_1 &
107378 -2*e_0_2_0)
107379 e_1_3_1 = zeta*( c1*e_0_2_1 &
107380 +c2*e_1_2_1&
107381 +4*e_2_2_1 &
107382 -4*e_1_1_1)
107383 e_1_2_2 = zetb*( c1*e_0_2_1 &
107384 +c3*e_1_2_1&
107385 +4*e_2_2_1 &
107386 -2*e_1_2_0)
107387 e_2_3_1 = zeta*( c1*e_1_2_1 &
107388 +c2*e_2_2_1&
107389 +6*e_3_2_1 &
107390 -4*e_2_1_1)
107391 e_2_2_2 = zetb*( c1*e_1_2_1 &
107392 +c3*e_2_2_1&
107393 +6*e_3_2_1 &
107394 -2*e_2_2_0)
107395 e_3_3_1 = zeta*( c1*e_2_2_1 &
107396 +c2*e_3_2_1&
107397
107398 )
107399 e_3_2_2 = zetb*( c1*e_2_2_1 &
107400 +c3*e_3_2_1&
107401
107402 )
107403 e_4_3_1 = zeta*( c1*e_3_2_1 &
107404
107405
107406 )
107407 e_4_2_2 = zetb*( c1*e_3_2_1 &
107408
107409
107410 )
107411 e_0_4_1 = zeta*( &
107412 +c2*e_0_3_1&
107413 +2*e_1_3_1 &
107414 -6*e_0_2_1)
107415 e_0_3_2 = zetb*( &
107416 +c3*e_0_3_1&
107417 +2*e_1_3_1 &
107418 -2*e_0_3_0)
107419 e_1_4_1 = zeta*( c1*e_0_3_1 &
107420 +c2*e_1_3_1&
107421 +4*e_2_3_1 &
107422 -6*e_1_2_1)
107423 e_1_3_2 = zetb*( c1*e_0_3_1 &
107424 +c3*e_1_3_1&
107425 +4*e_2_3_1 &
107426 -2*e_1_3_0)
107427 e_2_4_1 = zeta*( c1*e_1_3_1 &
107428 +c2*e_2_3_1&
107429 +6*e_3_3_1 &
107430 -6*e_2_2_1)
107431 e_2_3_2 = zetb*( c1*e_1_3_1 &
107432 +c3*e_2_3_1&
107433 +6*e_3_3_1 &
107434 -2*e_2_3_0)
107435 e_3_4_1 = zeta*( c1*e_2_3_1 &
107436 +c2*e_3_3_1&
107437 +8*e_4_3_1 &
107438 -6*e_3_2_1)
107439 e_3_3_2 = zetb*( c1*e_2_3_1 &
107440 +c3*e_3_3_1&
107441 +8*e_4_3_1 &
107442 -2*e_3_3_0)
107443 e_4_4_1 = zeta*( c1*e_3_3_1 &
107444 +c2*e_4_3_1&
107445
107446 )
107447 e_4_3_2 = zetb*( c1*e_3_3_1 &
107448 +c3*e_4_3_1&
107449
107450 )
107451 e_5_4_1 = zeta*( c1*e_4_3_1 &
107452
107453
107454 )
107455 e_5_3_2 = zetb*( c1*e_4_3_1 &
107456
107457
107458 )
107459 e_0_4_2 = zetb*( &
107460 +c3*e_0_4_1&
107461 +2*e_1_4_1 &
107462 -2*e_0_4_0)
107463 e_1_4_2 = zetb*( c1*e_0_4_1 &
107464 +c3*e_1_4_1&
107465 +4*e_2_4_1 &
107466 -2*e_1_4_0)
107467 e_2_4_2 = zetb*( c1*e_1_4_1 &
107468 +c3*e_2_4_1&
107469 +6*e_3_4_1 &
107470 -2*e_2_4_0)
107471 e_3_4_2 = zetb*( c1*e_2_4_1 &
107472 +c3*e_3_4_1&
107473 +8*e_4_4_1 &
107474 -2*e_3_4_0)
107475 e_4_4_2 = zetb*( c1*e_3_4_1 &
107476 +c3*e_4_4_1&
107477 +10*e_5_4_1 &
107478 -2*e_4_4_0)
107479 e_5_4_2 = zetb*( c1*e_4_4_1 &
107480 +c3*e_5_4_1&
107481
107482 )
107483 e_6_4_2 = zetb*( c1*e_5_4_1 &
107484
107485
107486 )
107487 e_0_1_2 = zeta*( &
107488 +c2*e_0_0_2&
107489 +2*e_1_0_2 &
107490 )
107491 e_0_0_3 = zetb*( &
107492 +c3*e_0_0_2&
107493 +2*e_1_0_2 &
107494 -4*e_0_0_1)
107495 e_1_1_2 = zeta*( c1*e_0_0_2 &
107496 +c2*e_1_0_2&
107497 +4*e_2_0_2 &
107498 )
107499 e_1_0_3 = zetb*( c1*e_0_0_2 &
107500 +c3*e_1_0_2&
107501 +4*e_2_0_2 &
107502 -4*e_1_0_1)
107503 e_2_1_2 = zeta*( c1*e_1_0_2 &
107504 +c2*e_2_0_2&
107505
107506 )
107507 e_2_0_3 = zetb*( c1*e_1_0_2 &
107508 +c3*e_2_0_2&
107509
107510 )
107511 e_3_1_2 = zeta*( c1*e_2_0_2 &
107512
107513
107514 )
107515 e_3_0_3 = zetb*( c1*e_2_0_2 &
107516
107517
107518 )
107519 e_0_2_2 = zeta*( &
107520 +c2*e_0_1_2&
107521 +2*e_1_1_2 &
107522 -2*e_0_0_2)
107523 e_0_1_3 = zetb*( &
107524 +c3*e_0_1_2&
107525 +2*e_1_1_2 &
107526 -4*e_0_1_1)
107527 e_1_2_2 = zeta*( c1*e_0_1_2 &
107528 +c2*e_1_1_2&
107529 +4*e_2_1_2 &
107530 -2*e_1_0_2)
107531 e_1_1_3 = zetb*( c1*e_0_1_2 &
107532 +c3*e_1_1_2&
107533 +4*e_2_1_2 &
107534 -4*e_1_1_1)
107535 e_2_2_2 = zeta*( c1*e_1_1_2 &
107536 +c2*e_2_1_2&
107537 +6*e_3_1_2 &
107538 -2*e_2_0_2)
107539 e_2_1_3 = zetb*( c1*e_1_1_2 &
107540 +c3*e_2_1_2&
107541 +6*e_3_1_2 &
107542 -4*e_2_1_1)
107543 e_3_2_2 = zeta*( c1*e_2_1_2 &
107544 +c2*e_3_1_2&
107545
107546 )
107547 e_3_1_3 = zetb*( c1*e_2_1_2 &
107548 +c3*e_3_1_2&
107549
107550 )
107551 e_4_2_2 = zeta*( c1*e_3_1_2 &
107552
107553
107554 )
107555 e_4_1_3 = zetb*( c1*e_3_1_2 &
107556
107557
107558 )
107559 e_0_3_2 = zeta*( &
107560 +c2*e_0_2_2&
107561 +2*e_1_2_2 &
107562 -4*e_0_1_2)
107563 e_0_2_3 = zetb*( &
107564 +c3*e_0_2_2&
107565 +2*e_1_2_2 &
107566 -4*e_0_2_1)
107567 e_1_3_2 = zeta*( c1*e_0_2_2 &
107568 +c2*e_1_2_2&
107569 +4*e_2_2_2 &
107570 -4*e_1_1_2)
107571 e_1_2_3 = zetb*( c1*e_0_2_2 &
107572 +c3*e_1_2_2&
107573 +4*e_2_2_2 &
107574 -4*e_1_2_1)
107575 e_2_3_2 = zeta*( c1*e_1_2_2 &
107576 +c2*e_2_2_2&
107577 +6*e_3_2_2 &
107578 -4*e_2_1_2)
107579 e_2_2_3 = zetb*( c1*e_1_2_2 &
107580 +c3*e_2_2_2&
107581 +6*e_3_2_2 &
107582 -4*e_2_2_1)
107583 e_3_3_2 = zeta*( c1*e_2_2_2 &
107584 +c2*e_3_2_2&
107585 +8*e_4_2_2 &
107586 -4*e_3_1_2)
107587 e_3_2_3 = zetb*( c1*e_2_2_2 &
107588 +c3*e_3_2_2&
107589 +8*e_4_2_2 &
107590 -4*e_3_2_1)
107591 e_4_3_2 = zeta*( c1*e_3_2_2 &
107592 +c2*e_4_2_2&
107593
107594 )
107595 e_4_2_3 = zetb*( c1*e_3_2_2 &
107596 +c3*e_4_2_2&
107597
107598 )
107599 e_5_3_2 = zeta*( c1*e_4_2_2 &
107600
107601
107602 )
107603 e_5_2_3 = zetb*( c1*e_4_2_2 &
107604
107605
107606 )
107607 e_0_4_2 = zeta*( &
107608 +c2*e_0_3_2&
107609 +2*e_1_3_2 &
107610 -6*e_0_2_2)
107611 e_0_3_3 = zetb*( &
107612 +c3*e_0_3_2&
107613 +2*e_1_3_2 &
107614 -4*e_0_3_1)
107615 e_1_4_2 = zeta*( c1*e_0_3_2 &
107616 +c2*e_1_3_2&
107617 +4*e_2_3_2 &
107618 -6*e_1_2_2)
107619 e_1_3_3 = zetb*( c1*e_0_3_2 &
107620 +c3*e_1_3_2&
107621 +4*e_2_3_2 &
107622 -4*e_1_3_1)
107623 e_2_4_2 = zeta*( c1*e_1_3_2 &
107624 +c2*e_2_3_2&
107625 +6*e_3_3_2 &
107626 -6*e_2_2_2)
107627 e_2_3_3 = zetb*( c1*e_1_3_2 &
107628 +c3*e_2_3_2&
107629 +6*e_3_3_2 &
107630 -4*e_2_3_1)
107631 e_3_4_2 = zeta*( c1*e_2_3_2 &
107632 +c2*e_3_3_2&
107633 +8*e_4_3_2 &
107634 -6*e_3_2_2)
107635 e_3_3_3 = zetb*( c1*e_2_3_2 &
107636 +c3*e_3_3_2&
107637 +8*e_4_3_2 &
107638 -4*e_3_3_1)
107639 e_4_4_2 = zeta*( c1*e_3_3_2 &
107640 +c2*e_4_3_2&
107641 +10*e_5_3_2 &
107642 -6*e_4_2_2)
107643 e_4_3_3 = zetb*( c1*e_3_3_2 &
107644 +c3*e_4_3_2&
107645 +10*e_5_3_2 &
107646 -4*e_4_3_1)
107647 e_5_4_2 = zeta*( c1*e_4_3_2 &
107648 +c2*e_5_3_2&
107649
107650 )
107651 e_5_3_3 = zetb*( c1*e_4_3_2 &
107652 +c3*e_5_3_2&
107653
107654 )
107655 e_6_4_2 = zeta*( c1*e_5_3_2 &
107656
107657
107658 )
107659 e_6_3_3 = zetb*( c1*e_5_3_2 &
107660
107661
107662 )
107663 e_0_4_3 = zetb*( &
107664 +c3*e_0_4_2&
107665 +2*e_1_4_2 &
107666 -4*e_0_4_1)
107667 e_1_4_3 = zetb*( c1*e_0_4_2 &
107668 +c3*e_1_4_2&
107669 +4*e_2_4_2 &
107670 -4*e_1_4_1)
107671 e_2_4_3 = zetb*( c1*e_1_4_2 &
107672 +c3*e_2_4_2&
107673 +6*e_3_4_2 &
107674 -4*e_2_4_1)
107675 e_3_4_3 = zetb*( c1*e_2_4_2 &
107676 +c3*e_3_4_2&
107677 +8*e_4_4_2 &
107678 -4*e_3_4_1)
107679 e_4_4_3 = zetb*( c1*e_3_4_2 &
107680 +c3*e_4_4_2&
107681 +10*e_5_4_2 &
107682 -4*e_4_4_1)
107683 e_5_4_3 = zetb*( c1*e_4_4_2 &
107684 +c3*e_5_4_2&
107685 +12*e_6_4_2 &
107686 -4*e_5_4_1)
107687 e_6_4_3 = zetb*( c1*e_5_4_2 &
107688 +c3*e_6_4_2&
107689
107690 )
107691 e_7_4_3 = zetb*( c1*e_6_4_2 &
107692
107693
107694 )
107695 e_0_1_3 = zeta*( &
107696 +c2*e_0_0_3&
107697 +2*e_1_0_3 &
107698 )
107699 e_1_1_3 = zeta*( c1*e_0_0_3 &
107700 +c2*e_1_0_3&
107701 +4*e_2_0_3 &
107702 )
107703 e_2_1_3 = zeta*( c1*e_1_0_3 &
107704 +c2*e_2_0_3&
107705 +6*e_3_0_3 &
107706 )
107707 e_3_1_3 = zeta*( c1*e_2_0_3 &
107708 +c2*e_3_0_3&
107709
107710 )
107711 e_4_1_3 = zeta*( c1*e_3_0_3 &
107712
107713
107714 )
107715 e_0_2_3 = zeta*( &
107716 +c2*e_0_1_3&
107717 +2*e_1_1_3 &
107718 -2*e_0_0_3)
107719 e_1_2_3 = zeta*( c1*e_0_1_3 &
107720 +c2*e_1_1_3&
107721 +4*e_2_1_3 &
107722 -2*e_1_0_3)
107723 e_2_2_3 = zeta*( c1*e_1_1_3 &
107724 +c2*e_2_1_3&
107725 +6*e_3_1_3 &
107726 -2*e_2_0_3)
107727 e_3_2_3 = zeta*( c1*e_2_1_3 &
107728 +c2*e_3_1_3&
107729 +8*e_4_1_3 &
107730 -2*e_3_0_3)
107731 e_4_2_3 = zeta*( c1*e_3_1_3 &
107732 +c2*e_4_1_3&
107733
107734 )
107735 e_5_2_3 = zeta*( c1*e_4_1_3 &
107736
107737
107738 )
107739 e_0_3_3 = zeta*( &
107740 +c2*e_0_2_3&
107741 +2*e_1_2_3 &
107742 -4*e_0_1_3)
107743 e_1_3_3 = zeta*( c1*e_0_2_3 &
107744 +c2*e_1_2_3&
107745 +4*e_2_2_3 &
107746 -4*e_1_1_3)
107747 e_2_3_3 = zeta*( c1*e_1_2_3 &
107748 +c2*e_2_2_3&
107749 +6*e_3_2_3 &
107750 -4*e_2_1_3)
107751 e_3_3_3 = zeta*( c1*e_2_2_3 &
107752 +c2*e_3_2_3&
107753 +8*e_4_2_3 &
107754 -4*e_3_1_3)
107755 e_4_3_3 = zeta*( c1*e_3_2_3 &
107756 +c2*e_4_2_3&
107757 +10*e_5_2_3 &
107758 -4*e_4_1_3)
107759 e_5_3_3 = zeta*( c1*e_4_2_3 &
107760 +c2*e_5_2_3&
107761
107762 )
107763 e_6_3_3 = zeta*( c1*e_5_2_3 &
107764
107765
107766 )
107767 e_0_4_3 = zeta*( &
107768 +c2*e_0_3_3&
107769 +2*e_1_3_3 &
107770 -6*e_0_2_3)
107771 e_1_4_3 = zeta*( c1*e_0_3_3 &
107772 +c2*e_1_3_3&
107773 +4*e_2_3_3 &
107774 -6*e_1_2_3)
107775 e_2_4_3 = zeta*( c1*e_1_3_3 &
107776 +c2*e_2_3_3&
107777 +6*e_3_3_3 &
107778 -6*e_2_2_3)
107779 e_3_4_3 = zeta*( c1*e_2_3_3 &
107780 +c2*e_3_3_3&
107781 +8*e_4_3_3 &
107782 -6*e_3_2_3)
107783 e_4_4_3 = zeta*( c1*e_3_3_3 &
107784 +c2*e_4_3_3&
107785 +10*e_5_3_3 &
107786 -6*e_4_2_3)
107787 e_5_4_3 = zeta*( c1*e_4_3_3 &
107788 +c2*e_5_3_3&
107789 +12*e_6_3_3 &
107790 -6*e_5_2_3)
107791 e_6_4_3 = zeta*( c1*e_5_3_3 &
107792 +c2*e_6_3_3&
107793
107794 )
107795 e_7_4_3 = zeta*( c1*e_6_3_3 &
107796
107797
107798 )
107799
107800 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
107801 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
107802 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
107803 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
107804 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
107805 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
107806 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
107807 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
107808 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
107809 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
107810 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
107811 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
107812 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
107813 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
107814 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
107815 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
107816 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
107817 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
107818 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
107819 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
107820 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
107821 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
107822 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
107823 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
107824 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
107825 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
107826 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
107827 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
107828 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
107829 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
107830 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
107831 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
107832 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
107833 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
107834 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
107835 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
107836 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
107837 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
107838 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
107839 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
107840 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
107841 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
107842 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
107843 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
107844 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
107845 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
107846 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
107847 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
107848 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
107849 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
107850 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
107851 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
107852 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
107853 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
107854 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
107855 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
107856 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
107857 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
107858 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
107859 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
107860 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
107861 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
107862 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
107863 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
107864 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
107865 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
107866 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
107867 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
107868 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
107869 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
107870 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
107871 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
107872 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
107873 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
107874 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
107875 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
107876 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
107877 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
107878 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
107879 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
107880 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
107881 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
107882 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
107883 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
107884 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
107885 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
107886 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
107887 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
107888 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
107889 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
107890 r1 = r1 + dr
107891 END DO
107892
107893 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
107894 END SUBROUTINE
107895 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_1_exp_1 ( &
107896 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
107897 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
107898 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
107899 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
107900 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
107901 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
107902 r_pow_t, r_tmp, rr1_delta, rr2_delta
107903
107904 REAL(kind=dp) :: c1, c2, c3
107905 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
107906 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
107907 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
107908 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
107909 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
107910 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
107911 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
107912 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
107913 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
107914 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
107915 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
107916 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
107917 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
107918 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
107919
107920 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
107921
107922 dr = lgth
107923 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
107924
107925 s_r(:, :, :) = 0.0_dp
107926
107927 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
107928
107929 h_to_c_0_0 = sqrt(alpha/pi)
107930
107931 h_to_c_0_1 = 0.0_dp
107932 h_to_c_1_1 = +2*alpha*h_to_c_0_0
107933 h_to_c_0_2 = -1*h_to_c_1_1
107934 h_to_c_1_2 = +2*alpha*h_to_c_0_1
107935 h_to_c_2_2 = +2*alpha*h_to_c_1_1
107936 h_to_c_0_3 = -1*h_to_c_1_2
107937 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
107938 h_to_c_2_3 = +2*alpha*h_to_c_1_2
107939 h_to_c_3_3 = +2*alpha*h_to_c_2_2
107940 h_to_c_0_4 = -1*h_to_c_1_3
107941 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
107942 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
107943 h_to_c_3_4 = +2*alpha*h_to_c_2_3
107944 h_to_c_4_4 = +2*alpha*h_to_c_3_3
107945 h_to_c_0_5 = -1*h_to_c_1_4
107946 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
107947 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
107948 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
107949 h_to_c_4_5 = +2*alpha*h_to_c_3_4
107950 h_to_c_5_5 = +2*alpha*h_to_c_4_4
107951 h_to_c_0_6 = -1*h_to_c_1_5
107952 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
107953 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
107954 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
107955 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
107956 h_to_c_5_6 = +2*alpha*h_to_c_4_5
107957 h_to_c_6_6 = +2*alpha*h_to_c_5_5
107958 h_to_c_0_7 = -1*h_to_c_1_6
107959 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
107960 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
107961 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
107962 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
107963 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
107964 h_to_c_6_7 = +2*alpha*h_to_c_5_6
107965 h_to_c_7_7 = +2*alpha*h_to_c_6_6
107966 h_to_c_0_8 = -1*h_to_c_1_7
107967 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
107968 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
107969 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
107970 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
107971 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
107972 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
107973 h_to_c_7_8 = +2*alpha*h_to_c_6_7
107974 h_to_c_8_8 = +2*alpha*h_to_c_7_7
107975
107976 exp_drsq = exp(-alpha*dr*dr)
107977 exp_2drsq = exp_drsq*exp_drsq
107978
107979 rr1_delta = (ra - rb)/dr
107980
107981 rr1_l = ceiling(-r_c(1) + rr1_delta)
107982 rr1_r = floor(r_c(1) + rr1_delta)
107983
107984 r1 = rr1_l*dr
107985
107986 alpha_e = zeta*zetb/(zeta + zetb)
107987
107988 DO rr1 = rr1_l, rr1_r
107989 s_r_t_0 = 0.0_dp
107990 s_r_t2_0 = 0.0_dp
107991 s_r_t_1 = 0.0_dp
107992 s_r_t2_1 = 0.0_dp
107993 s_r_t_2 = 0.0_dp
107994 s_r_t2_2 = 0.0_dp
107995 s_r_t_3 = 0.0_dp
107996 s_r_t2_3 = 0.0_dp
107997 s_r_t_4 = 0.0_dp
107998 s_r_t2_4 = 0.0_dp
107999 s_r_t_5 = 0.0_dp
108000 s_r_t2_5 = 0.0_dp
108001 s_r_t_6 = 0.0_dp
108002 s_r_t2_6 = 0.0_dp
108003 s_r_t_7 = 0.0_dp
108004 s_r_t2_7 = 0.0_dp
108005 s_r_t_8 = 0.0_dp
108006 s_r_t2_8 = 0.0_dp
108007 r_tmp = r_offset + r1*zeta/(zeta + zetb)
108008 rr2_delta = -r_tmp/dr
108009
108010 rr2_l = ceiling(-r_c(2) + rr2_delta)
108011 rr2_r = floor(r_c(2) + rr2_delta)
108012
108013 r = r_tmp + (rr2_l)*dr
108014
108015 exp2_2rdr = exp(-2*alpha*r*dr)
108016 exp2_rsq = exp(-alpha*r*r)
108017
108018 DO rr2 = rr2_l, rr2_r
108019 r_pow_t = 1.0_dp
108020 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
108021 r_pow_t = r_pow_t*r
108022 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
108023 r_pow_t = r_pow_t*r
108024 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
108025 r_pow_t = r_pow_t*r
108026 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
108027 r_pow_t = r_pow_t*r
108028 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
108029 r_pow_t = r_pow_t*r
108030 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
108031 r_pow_t = r_pow_t*r
108032 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
108033 r_pow_t = r_pow_t*r
108034 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
108035 r_pow_t = r_pow_t*r
108036 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
108037
108038 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
108039 exp2_2rdr = exp2_2rdr*exp_2drsq
108040 r = r + dr
108041 END DO
108042
108043 ! C --> H
108044 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
108045 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
108046 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
108047 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
108048 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
108049 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
108050 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
108051 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
108052 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
108053 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
108054 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
108055 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
108056 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
108057 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
108058 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
108059 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
108060 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
108061 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
108062 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
108063 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
108064 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
108065 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
108066 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
108067 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
108068 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
108069 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
108070 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
108071 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
108072 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
108073 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
108074 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
108075 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
108076 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
108077 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
108078 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
108079 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
108080 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
108081 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
108082 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
108083 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
108084 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
108085 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
108086 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
108087 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
108088 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
108089
108090 ! H --> HH
108091 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
108092
108093 c1 = 1.0_dp/(zeta + zetb)
108094 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
108095 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
108096
108097 e_0_1_0 = zeta*( &
108098 +c2*e_0_0_0&
108099
108100 )
108101 e_0_0_1 = zetb*( &
108102 +c3*e_0_0_0&
108103
108104 )
108105 e_1_1_0 = zeta*( c1*e_0_0_0 &
108106
108107
108108 )
108109 e_1_0_1 = zetb*( c1*e_0_0_0 &
108110
108111
108112 )
108113 e_0_2_0 = zeta*( &
108114 +c2*e_0_1_0&
108115 +2*e_1_1_0 &
108116 -2*e_0_0_0)
108117 e_0_1_1 = zetb*( &
108118 +c3*e_0_1_0&
108119 +2*e_1_1_0 &
108120 )
108121 e_1_2_0 = zeta*( c1*e_0_1_0 &
108122 +c2*e_1_1_0&
108123
108124 )
108125 e_1_1_1 = zetb*( c1*e_0_1_0 &
108126 +c3*e_1_1_0&
108127
108128 )
108129 e_2_2_0 = zeta*( c1*e_1_1_0 &
108130
108131
108132 )
108133 e_2_1_1 = zetb*( c1*e_1_1_0 &
108134
108135
108136 )
108137 e_0_3_0 = zeta*( &
108138 +c2*e_0_2_0&
108139 +2*e_1_2_0 &
108140 -4*e_0_1_0)
108141 e_0_2_1 = zetb*( &
108142 +c3*e_0_2_0&
108143 +2*e_1_2_0 &
108144 )
108145 e_1_3_0 = zeta*( c1*e_0_2_0 &
108146 +c2*e_1_2_0&
108147 +4*e_2_2_0 &
108148 -4*e_1_1_0)
108149 e_1_2_1 = zetb*( c1*e_0_2_0 &
108150 +c3*e_1_2_0&
108151 +4*e_2_2_0 &
108152 )
108153 e_2_3_0 = zeta*( c1*e_1_2_0 &
108154 +c2*e_2_2_0&
108155
108156 )
108157 e_2_2_1 = zetb*( c1*e_1_2_0 &
108158 +c3*e_2_2_0&
108159
108160 )
108161 e_3_3_0 = zeta*( c1*e_2_2_0 &
108162
108163
108164 )
108165 e_3_2_1 = zetb*( c1*e_2_2_0 &
108166
108167
108168 )
108169 e_0_4_0 = zeta*( &
108170 +c2*e_0_3_0&
108171 +2*e_1_3_0 &
108172 -6*e_0_2_0)
108173 e_0_3_1 = zetb*( &
108174 +c3*e_0_3_0&
108175 +2*e_1_3_0 &
108176 )
108177 e_1_4_0 = zeta*( c1*e_0_3_0 &
108178 +c2*e_1_3_0&
108179 +4*e_2_3_0 &
108180 -6*e_1_2_0)
108181 e_1_3_1 = zetb*( c1*e_0_3_0 &
108182 +c3*e_1_3_0&
108183 +4*e_2_3_0 &
108184 )
108185 e_2_4_0 = zeta*( c1*e_1_3_0 &
108186 +c2*e_2_3_0&
108187 +6*e_3_3_0 &
108188 -6*e_2_2_0)
108189 e_2_3_1 = zetb*( c1*e_1_3_0 &
108190 +c3*e_2_3_0&
108191 +6*e_3_3_0 &
108192 )
108193 e_3_4_0 = zeta*( c1*e_2_3_0 &
108194 +c2*e_3_3_0&
108195
108196 )
108197 e_3_3_1 = zetb*( c1*e_2_3_0 &
108198 +c3*e_3_3_0&
108199
108200 )
108201 e_4_4_0 = zeta*( c1*e_3_3_0 &
108202
108203
108204 )
108205 e_4_3_1 = zetb*( c1*e_3_3_0 &
108206
108207
108208 )
108209 e_0_4_1 = zetb*( &
108210 +c3*e_0_4_0&
108211 +2*e_1_4_0 &
108212 )
108213 e_1_4_1 = zetb*( c1*e_0_4_0 &
108214 +c3*e_1_4_0&
108215 +4*e_2_4_0 &
108216 )
108217 e_2_4_1 = zetb*( c1*e_1_4_0 &
108218 +c3*e_2_4_0&
108219 +6*e_3_4_0 &
108220 )
108221 e_3_4_1 = zetb*( c1*e_2_4_0 &
108222 +c3*e_3_4_0&
108223 +8*e_4_4_0 &
108224 )
108225 e_4_4_1 = zetb*( c1*e_3_4_0 &
108226 +c3*e_4_4_0&
108227
108228 )
108229 e_5_4_1 = zetb*( c1*e_4_4_0 &
108230
108231
108232 )
108233 e_0_1_1 = zeta*( &
108234 +c2*e_0_0_1&
108235 +2*e_1_0_1 &
108236 )
108237 e_0_0_2 = zetb*( &
108238 +c3*e_0_0_1&
108239 +2*e_1_0_1 &
108240 -2*e_0_0_0)
108241 e_1_1_1 = zeta*( c1*e_0_0_1 &
108242 +c2*e_1_0_1&
108243
108244 )
108245 e_1_0_2 = zetb*( c1*e_0_0_1 &
108246 +c3*e_1_0_1&
108247
108248 )
108249 e_2_1_1 = zeta*( c1*e_1_0_1 &
108250
108251
108252 )
108253 e_2_0_2 = zetb*( c1*e_1_0_1 &
108254
108255
108256 )
108257 e_0_2_1 = zeta*( &
108258 +c2*e_0_1_1&
108259 +2*e_1_1_1 &
108260 -2*e_0_0_1)
108261 e_0_1_2 = zetb*( &
108262 +c3*e_0_1_1&
108263 +2*e_1_1_1 &
108264 -2*e_0_1_0)
108265 e_1_2_1 = zeta*( c1*e_0_1_1 &
108266 +c2*e_1_1_1&
108267 +4*e_2_1_1 &
108268 -2*e_1_0_1)
108269 e_1_1_2 = zetb*( c1*e_0_1_1 &
108270 +c3*e_1_1_1&
108271 +4*e_2_1_1 &
108272 -2*e_1_1_0)
108273 e_2_2_1 = zeta*( c1*e_1_1_1 &
108274 +c2*e_2_1_1&
108275
108276 )
108277 e_2_1_2 = zetb*( c1*e_1_1_1 &
108278 +c3*e_2_1_1&
108279
108280 )
108281 e_3_2_1 = zeta*( c1*e_2_1_1 &
108282
108283
108284 )
108285 e_3_1_2 = zetb*( c1*e_2_1_1 &
108286
108287
108288 )
108289 e_0_3_1 = zeta*( &
108290 +c2*e_0_2_1&
108291 +2*e_1_2_1 &
108292 -4*e_0_1_1)
108293 e_0_2_2 = zetb*( &
108294 +c3*e_0_2_1&
108295 +2*e_1_2_1 &
108296 -2*e_0_2_0)
108297 e_1_3_1 = zeta*( c1*e_0_2_1 &
108298 +c2*e_1_2_1&
108299 +4*e_2_2_1 &
108300 -4*e_1_1_1)
108301 e_1_2_2 = zetb*( c1*e_0_2_1 &
108302 +c3*e_1_2_1&
108303 +4*e_2_2_1 &
108304 -2*e_1_2_0)
108305 e_2_3_1 = zeta*( c1*e_1_2_1 &
108306 +c2*e_2_2_1&
108307 +6*e_3_2_1 &
108308 -4*e_2_1_1)
108309 e_2_2_2 = zetb*( c1*e_1_2_1 &
108310 +c3*e_2_2_1&
108311 +6*e_3_2_1 &
108312 -2*e_2_2_0)
108313 e_3_3_1 = zeta*( c1*e_2_2_1 &
108314 +c2*e_3_2_1&
108315
108316 )
108317 e_3_2_2 = zetb*( c1*e_2_2_1 &
108318 +c3*e_3_2_1&
108319
108320 )
108321 e_4_3_1 = zeta*( c1*e_3_2_1 &
108322
108323
108324 )
108325 e_4_2_2 = zetb*( c1*e_3_2_1 &
108326
108327
108328 )
108329 e_0_4_1 = zeta*( &
108330 +c2*e_0_3_1&
108331 +2*e_1_3_1 &
108332 -6*e_0_2_1)
108333 e_0_3_2 = zetb*( &
108334 +c3*e_0_3_1&
108335 +2*e_1_3_1 &
108336 -2*e_0_3_0)
108337 e_1_4_1 = zeta*( c1*e_0_3_1 &
108338 +c2*e_1_3_1&
108339 +4*e_2_3_1 &
108340 -6*e_1_2_1)
108341 e_1_3_2 = zetb*( c1*e_0_3_1 &
108342 +c3*e_1_3_1&
108343 +4*e_2_3_1 &
108344 -2*e_1_3_0)
108345 e_2_4_1 = zeta*( c1*e_1_3_1 &
108346 +c2*e_2_3_1&
108347 +6*e_3_3_1 &
108348 -6*e_2_2_1)
108349 e_2_3_2 = zetb*( c1*e_1_3_1 &
108350 +c3*e_2_3_1&
108351 +6*e_3_3_1 &
108352 -2*e_2_3_0)
108353 e_3_4_1 = zeta*( c1*e_2_3_1 &
108354 +c2*e_3_3_1&
108355 +8*e_4_3_1 &
108356 -6*e_3_2_1)
108357 e_3_3_2 = zetb*( c1*e_2_3_1 &
108358 +c3*e_3_3_1&
108359 +8*e_4_3_1 &
108360 -2*e_3_3_0)
108361 e_4_4_1 = zeta*( c1*e_3_3_1 &
108362 +c2*e_4_3_1&
108363
108364 )
108365 e_4_3_2 = zetb*( c1*e_3_3_1 &
108366 +c3*e_4_3_1&
108367
108368 )
108369 e_5_4_1 = zeta*( c1*e_4_3_1 &
108370
108371
108372 )
108373 e_5_3_2 = zetb*( c1*e_4_3_1 &
108374
108375
108376 )
108377 e_0_4_2 = zetb*( &
108378 +c3*e_0_4_1&
108379 +2*e_1_4_1 &
108380 -2*e_0_4_0)
108381 e_1_4_2 = zetb*( c1*e_0_4_1 &
108382 +c3*e_1_4_1&
108383 +4*e_2_4_1 &
108384 -2*e_1_4_0)
108385 e_2_4_2 = zetb*( c1*e_1_4_1 &
108386 +c3*e_2_4_1&
108387 +6*e_3_4_1 &
108388 -2*e_2_4_0)
108389 e_3_4_2 = zetb*( c1*e_2_4_1 &
108390 +c3*e_3_4_1&
108391 +8*e_4_4_1 &
108392 -2*e_3_4_0)
108393 e_4_4_2 = zetb*( c1*e_3_4_1 &
108394 +c3*e_4_4_1&
108395 +10*e_5_4_1 &
108396 -2*e_4_4_0)
108397 e_5_4_2 = zetb*( c1*e_4_4_1 &
108398 +c3*e_5_4_1&
108399
108400 )
108401 e_6_4_2 = zetb*( c1*e_5_4_1 &
108402
108403
108404 )
108405 e_0_1_2 = zeta*( &
108406 +c2*e_0_0_2&
108407 +2*e_1_0_2 &
108408 )
108409 e_0_0_3 = zetb*( &
108410 +c3*e_0_0_2&
108411 +2*e_1_0_2 &
108412 -4*e_0_0_1)
108413 e_1_1_2 = zeta*( c1*e_0_0_2 &
108414 +c2*e_1_0_2&
108415 +4*e_2_0_2 &
108416 )
108417 e_1_0_3 = zetb*( c1*e_0_0_2 &
108418 +c3*e_1_0_2&
108419 +4*e_2_0_2 &
108420 -4*e_1_0_1)
108421 e_2_1_2 = zeta*( c1*e_1_0_2 &
108422 +c2*e_2_0_2&
108423
108424 )
108425 e_2_0_3 = zetb*( c1*e_1_0_2 &
108426 +c3*e_2_0_2&
108427
108428 )
108429 e_3_1_2 = zeta*( c1*e_2_0_2 &
108430
108431
108432 )
108433 e_3_0_3 = zetb*( c1*e_2_0_2 &
108434
108435
108436 )
108437 e_0_2_2 = zeta*( &
108438 +c2*e_0_1_2&
108439 +2*e_1_1_2 &
108440 -2*e_0_0_2)
108441 e_0_1_3 = zetb*( &
108442 +c3*e_0_1_2&
108443 +2*e_1_1_2 &
108444 -4*e_0_1_1)
108445 e_1_2_2 = zeta*( c1*e_0_1_2 &
108446 +c2*e_1_1_2&
108447 +4*e_2_1_2 &
108448 -2*e_1_0_2)
108449 e_1_1_3 = zetb*( c1*e_0_1_2 &
108450 +c3*e_1_1_2&
108451 +4*e_2_1_2 &
108452 -4*e_1_1_1)
108453 e_2_2_2 = zeta*( c1*e_1_1_2 &
108454 +c2*e_2_1_2&
108455 +6*e_3_1_2 &
108456 -2*e_2_0_2)
108457 e_2_1_3 = zetb*( c1*e_1_1_2 &
108458 +c3*e_2_1_2&
108459 +6*e_3_1_2 &
108460 -4*e_2_1_1)
108461 e_3_2_2 = zeta*( c1*e_2_1_2 &
108462 +c2*e_3_1_2&
108463
108464 )
108465 e_3_1_3 = zetb*( c1*e_2_1_2 &
108466 +c3*e_3_1_2&
108467
108468 )
108469 e_4_2_2 = zeta*( c1*e_3_1_2 &
108470
108471
108472 )
108473 e_4_1_3 = zetb*( c1*e_3_1_2 &
108474
108475
108476 )
108477 e_0_3_2 = zeta*( &
108478 +c2*e_0_2_2&
108479 +2*e_1_2_2 &
108480 -4*e_0_1_2)
108481 e_0_2_3 = zetb*( &
108482 +c3*e_0_2_2&
108483 +2*e_1_2_2 &
108484 -4*e_0_2_1)
108485 e_1_3_2 = zeta*( c1*e_0_2_2 &
108486 +c2*e_1_2_2&
108487 +4*e_2_2_2 &
108488 -4*e_1_1_2)
108489 e_1_2_3 = zetb*( c1*e_0_2_2 &
108490 +c3*e_1_2_2&
108491 +4*e_2_2_2 &
108492 -4*e_1_2_1)
108493 e_2_3_2 = zeta*( c1*e_1_2_2 &
108494 +c2*e_2_2_2&
108495 +6*e_3_2_2 &
108496 -4*e_2_1_2)
108497 e_2_2_3 = zetb*( c1*e_1_2_2 &
108498 +c3*e_2_2_2&
108499 +6*e_3_2_2 &
108500 -4*e_2_2_1)
108501 e_3_3_2 = zeta*( c1*e_2_2_2 &
108502 +c2*e_3_2_2&
108503 +8*e_4_2_2 &
108504 -4*e_3_1_2)
108505 e_3_2_3 = zetb*( c1*e_2_2_2 &
108506 +c3*e_3_2_2&
108507 +8*e_4_2_2 &
108508 -4*e_3_2_1)
108509 e_4_3_2 = zeta*( c1*e_3_2_2 &
108510 +c2*e_4_2_2&
108511
108512 )
108513 e_4_2_3 = zetb*( c1*e_3_2_2 &
108514 +c3*e_4_2_2&
108515
108516 )
108517 e_5_3_2 = zeta*( c1*e_4_2_2 &
108518
108519
108520 )
108521 e_5_2_3 = zetb*( c1*e_4_2_2 &
108522
108523
108524 )
108525 e_0_4_2 = zeta*( &
108526 +c2*e_0_3_2&
108527 +2*e_1_3_2 &
108528 -6*e_0_2_2)
108529 e_0_3_3 = zetb*( &
108530 +c3*e_0_3_2&
108531 +2*e_1_3_2 &
108532 -4*e_0_3_1)
108533 e_1_4_2 = zeta*( c1*e_0_3_2 &
108534 +c2*e_1_3_2&
108535 +4*e_2_3_2 &
108536 -6*e_1_2_2)
108537 e_1_3_3 = zetb*( c1*e_0_3_2 &
108538 +c3*e_1_3_2&
108539 +4*e_2_3_2 &
108540 -4*e_1_3_1)
108541 e_2_4_2 = zeta*( c1*e_1_3_2 &
108542 +c2*e_2_3_2&
108543 +6*e_3_3_2 &
108544 -6*e_2_2_2)
108545 e_2_3_3 = zetb*( c1*e_1_3_2 &
108546 +c3*e_2_3_2&
108547 +6*e_3_3_2 &
108548 -4*e_2_3_1)
108549 e_3_4_2 = zeta*( c1*e_2_3_2 &
108550 +c2*e_3_3_2&
108551 +8*e_4_3_2 &
108552 -6*e_3_2_2)
108553 e_3_3_3 = zetb*( c1*e_2_3_2 &
108554 +c3*e_3_3_2&
108555 +8*e_4_3_2 &
108556 -4*e_3_3_1)
108557 e_4_4_2 = zeta*( c1*e_3_3_2 &
108558 +c2*e_4_3_2&
108559 +10*e_5_3_2 &
108560 -6*e_4_2_2)
108561 e_4_3_3 = zetb*( c1*e_3_3_2 &
108562 +c3*e_4_3_2&
108563 +10*e_5_3_2 &
108564 -4*e_4_3_1)
108565 e_5_4_2 = zeta*( c1*e_4_3_2 &
108566 +c2*e_5_3_2&
108567
108568 )
108569 e_5_3_3 = zetb*( c1*e_4_3_2 &
108570 +c3*e_5_3_2&
108571
108572 )
108573 e_6_4_2 = zeta*( c1*e_5_3_2 &
108574
108575
108576 )
108577 e_6_3_3 = zetb*( c1*e_5_3_2 &
108578
108579
108580 )
108581 e_0_4_3 = zetb*( &
108582 +c3*e_0_4_2&
108583 +2*e_1_4_2 &
108584 -4*e_0_4_1)
108585 e_1_4_3 = zetb*( c1*e_0_4_2 &
108586 +c3*e_1_4_2&
108587 +4*e_2_4_2 &
108588 -4*e_1_4_1)
108589 e_2_4_3 = zetb*( c1*e_1_4_2 &
108590 +c3*e_2_4_2&
108591 +6*e_3_4_2 &
108592 -4*e_2_4_1)
108593 e_3_4_3 = zetb*( c1*e_2_4_2 &
108594 +c3*e_3_4_2&
108595 +8*e_4_4_2 &
108596 -4*e_3_4_1)
108597 e_4_4_3 = zetb*( c1*e_3_4_2 &
108598 +c3*e_4_4_2&
108599 +10*e_5_4_2 &
108600 -4*e_4_4_1)
108601 e_5_4_3 = zetb*( c1*e_4_4_2 &
108602 +c3*e_5_4_2&
108603 +12*e_6_4_2 &
108604 -4*e_5_4_1)
108605 e_6_4_3 = zetb*( c1*e_5_4_2 &
108606 +c3*e_6_4_2&
108607
108608 )
108609 e_7_4_3 = zetb*( c1*e_6_4_2 &
108610
108611
108612 )
108613 e_0_1_3 = zeta*( &
108614 +c2*e_0_0_3&
108615 +2*e_1_0_3 &
108616 )
108617 e_1_1_3 = zeta*( c1*e_0_0_3 &
108618 +c2*e_1_0_3&
108619 +4*e_2_0_3 &
108620 )
108621 e_2_1_3 = zeta*( c1*e_1_0_3 &
108622 +c2*e_2_0_3&
108623 +6*e_3_0_3 &
108624 )
108625 e_3_1_3 = zeta*( c1*e_2_0_3 &
108626 +c2*e_3_0_3&
108627
108628 )
108629 e_4_1_3 = zeta*( c1*e_3_0_3 &
108630
108631
108632 )
108633 e_0_2_3 = zeta*( &
108634 +c2*e_0_1_3&
108635 +2*e_1_1_3 &
108636 -2*e_0_0_3)
108637 e_1_2_3 = zeta*( c1*e_0_1_3 &
108638 +c2*e_1_1_3&
108639 +4*e_2_1_3 &
108640 -2*e_1_0_3)
108641 e_2_2_3 = zeta*( c1*e_1_1_3 &
108642 +c2*e_2_1_3&
108643 +6*e_3_1_3 &
108644 -2*e_2_0_3)
108645 e_3_2_3 = zeta*( c1*e_2_1_3 &
108646 +c2*e_3_1_3&
108647 +8*e_4_1_3 &
108648 -2*e_3_0_3)
108649 e_4_2_3 = zeta*( c1*e_3_1_3 &
108650 +c2*e_4_1_3&
108651
108652 )
108653 e_5_2_3 = zeta*( c1*e_4_1_3 &
108654
108655
108656 )
108657 e_0_3_3 = zeta*( &
108658 +c2*e_0_2_3&
108659 +2*e_1_2_3 &
108660 -4*e_0_1_3)
108661 e_1_3_3 = zeta*( c1*e_0_2_3 &
108662 +c2*e_1_2_3&
108663 +4*e_2_2_3 &
108664 -4*e_1_1_3)
108665 e_2_3_3 = zeta*( c1*e_1_2_3 &
108666 +c2*e_2_2_3&
108667 +6*e_3_2_3 &
108668 -4*e_2_1_3)
108669 e_3_3_3 = zeta*( c1*e_2_2_3 &
108670 +c2*e_3_2_3&
108671 +8*e_4_2_3 &
108672 -4*e_3_1_3)
108673 e_4_3_3 = zeta*( c1*e_3_2_3 &
108674 +c2*e_4_2_3&
108675 +10*e_5_2_3 &
108676 -4*e_4_1_3)
108677 e_5_3_3 = zeta*( c1*e_4_2_3 &
108678 +c2*e_5_2_3&
108679
108680 )
108681 e_6_3_3 = zeta*( c1*e_5_2_3 &
108682
108683
108684 )
108685 e_0_4_3 = zeta*( &
108686 +c2*e_0_3_3&
108687 +2*e_1_3_3 &
108688 -6*e_0_2_3)
108689 e_1_4_3 = zeta*( c1*e_0_3_3 &
108690 +c2*e_1_3_3&
108691 +4*e_2_3_3 &
108692 -6*e_1_2_3)
108693 e_2_4_3 = zeta*( c1*e_1_3_3 &
108694 +c2*e_2_3_3&
108695 +6*e_3_3_3 &
108696 -6*e_2_2_3)
108697 e_3_4_3 = zeta*( c1*e_2_3_3 &
108698 +c2*e_3_3_3&
108699 +8*e_4_3_3 &
108700 -6*e_3_2_3)
108701 e_4_4_3 = zeta*( c1*e_3_3_3 &
108702 +c2*e_4_3_3&
108703 +10*e_5_3_3 &
108704 -6*e_4_2_3)
108705 e_5_4_3 = zeta*( c1*e_4_3_3 &
108706 +c2*e_5_3_3&
108707 +12*e_6_3_3 &
108708 -6*e_5_2_3)
108709 e_6_4_3 = zeta*( c1*e_5_3_3 &
108710 +c2*e_6_3_3&
108711
108712 )
108713 e_7_4_3 = zeta*( c1*e_6_3_3 &
108714
108715
108716 )
108717
108718 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
108719 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
108720 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
108721 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
108722 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
108723 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
108724 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
108725 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
108726 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
108727 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
108728 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
108729 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
108730 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
108731 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
108732 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
108733 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
108734 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
108735 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
108736 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
108737 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
108738 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
108739 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
108740 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
108741 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
108742 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
108743 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
108744 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
108745 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
108746 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
108747 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
108748 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
108749 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
108750 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
108751 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
108752 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
108753 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
108754 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
108755 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
108756 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
108757 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
108758 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
108759 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
108760 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
108761 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
108762 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
108763 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
108764 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
108765 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
108766 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
108767 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
108768 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
108769 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
108770 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
108771 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
108772 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
108773 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
108774 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
108775 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
108776 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
108777 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
108778 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
108779 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
108780 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
108781 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
108782 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
108783 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
108784 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
108785 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
108786 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
108787 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
108788 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
108789 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
108790 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
108791 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
108792 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
108793 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
108794 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
108795 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
108796 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
108797 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
108798 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
108799 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
108800 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
108801 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
108802 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
108803 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
108804 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
108805 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
108806 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
108807 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
108808 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
108809 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
108810 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
108811 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
108812 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
108813 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
108814 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
108815 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
108816 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
108817 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
108818 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
108819 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
108820 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
108821 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
108822 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
108823 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
108824 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
108825 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
108826 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
108827 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
108828 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
108829 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
108830 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
108831 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
108832 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
108833 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
108834 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
108835 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
108836 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
108837 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
108838 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
108839 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
108840 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
108841 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
108842 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
108843 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
108844 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
108845 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
108846 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
108847 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
108848 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
108849 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
108850 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
108851 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
108852 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
108853 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
108854 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
108855 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
108856 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
108857 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
108858 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
108859 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
108860 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
108861 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
108862 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
108863 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
108864 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
108865 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
108866 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
108867 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
108868 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
108869 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
108870 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
108871 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
108872 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
108873 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
108874 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
108875 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
108876 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
108877 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
108878 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
108879 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
108880 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
108881 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
108882 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
108883 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
108884 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
108885 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
108886 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
108887 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
108888 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
108889 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
108890 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
108891 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
108892 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
108893 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
108894 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
108895 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
108896 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
108897 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
108898 r1 = r1 + dr
108899 END DO
108900
108901 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
108902 END SUBROUTINE
108903 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_2_exp_1 ( &
108904 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
108905 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
108906 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
108907 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
108908 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
108909 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
108910 r_pow_t, r_tmp, rr1_delta, rr2_delta
108911
108912 REAL(kind=dp) :: c1, c2, c3
108913 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
108914 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
108915 & s_r_t2_9
108916 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
108917 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
108918 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
108919 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
108920 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
108921 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
108922 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
108923 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
108924 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
108925 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
108926 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
108927 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
108928 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
108929
108930 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
108931
108932 dr = lgth
108933 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
108934
108935 s_r(:, :, :) = 0.0_dp
108936
108937 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
108938
108939 h_to_c_0_0 = sqrt(alpha/pi)
108940
108941 h_to_c_0_1 = 0.0_dp
108942 h_to_c_1_1 = +2*alpha*h_to_c_0_0
108943 h_to_c_0_2 = -1*h_to_c_1_1
108944 h_to_c_1_2 = +2*alpha*h_to_c_0_1
108945 h_to_c_2_2 = +2*alpha*h_to_c_1_1
108946 h_to_c_0_3 = -1*h_to_c_1_2
108947 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
108948 h_to_c_2_3 = +2*alpha*h_to_c_1_2
108949 h_to_c_3_3 = +2*alpha*h_to_c_2_2
108950 h_to_c_0_4 = -1*h_to_c_1_3
108951 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
108952 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
108953 h_to_c_3_4 = +2*alpha*h_to_c_2_3
108954 h_to_c_4_4 = +2*alpha*h_to_c_3_3
108955 h_to_c_0_5 = -1*h_to_c_1_4
108956 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
108957 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
108958 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
108959 h_to_c_4_5 = +2*alpha*h_to_c_3_4
108960 h_to_c_5_5 = +2*alpha*h_to_c_4_4
108961 h_to_c_0_6 = -1*h_to_c_1_5
108962 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
108963 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
108964 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
108965 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
108966 h_to_c_5_6 = +2*alpha*h_to_c_4_5
108967 h_to_c_6_6 = +2*alpha*h_to_c_5_5
108968 h_to_c_0_7 = -1*h_to_c_1_6
108969 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
108970 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
108971 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
108972 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
108973 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
108974 h_to_c_6_7 = +2*alpha*h_to_c_5_6
108975 h_to_c_7_7 = +2*alpha*h_to_c_6_6
108976 h_to_c_0_8 = -1*h_to_c_1_7
108977 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
108978 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
108979 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
108980 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
108981 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
108982 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
108983 h_to_c_7_8 = +2*alpha*h_to_c_6_7
108984 h_to_c_8_8 = +2*alpha*h_to_c_7_7
108985 h_to_c_0_9 = -1*h_to_c_1_8
108986 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
108987 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
108988 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
108989 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
108990 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
108991 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
108992 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
108993 h_to_c_8_9 = +2*alpha*h_to_c_7_8
108994 h_to_c_9_9 = +2*alpha*h_to_c_8_8
108995
108996 exp_drsq = exp(-alpha*dr*dr)
108997 exp_2drsq = exp_drsq*exp_drsq
108998
108999 rr1_delta = (ra - rb)/dr
109000
109001 rr1_l = ceiling(-r_c(1) + rr1_delta)
109002 rr1_r = floor(r_c(1) + rr1_delta)
109003
109004 r1 = rr1_l*dr
109005
109006 alpha_e = zeta*zetb/(zeta + zetb)
109007
109008 DO rr1 = rr1_l, rr1_r
109009 s_r_t_0 = 0.0_dp
109010 s_r_t2_0 = 0.0_dp
109011 s_r_t_1 = 0.0_dp
109012 s_r_t2_1 = 0.0_dp
109013 s_r_t_2 = 0.0_dp
109014 s_r_t2_2 = 0.0_dp
109015 s_r_t_3 = 0.0_dp
109016 s_r_t2_3 = 0.0_dp
109017 s_r_t_4 = 0.0_dp
109018 s_r_t2_4 = 0.0_dp
109019 s_r_t_5 = 0.0_dp
109020 s_r_t2_5 = 0.0_dp
109021 s_r_t_6 = 0.0_dp
109022 s_r_t2_6 = 0.0_dp
109023 s_r_t_7 = 0.0_dp
109024 s_r_t2_7 = 0.0_dp
109025 s_r_t_8 = 0.0_dp
109026 s_r_t2_8 = 0.0_dp
109027 s_r_t_9 = 0.0_dp
109028 s_r_t2_9 = 0.0_dp
109029 r_tmp = r_offset + r1*zeta/(zeta + zetb)
109030 rr2_delta = -r_tmp/dr
109031
109032 rr2_l = ceiling(-r_c(2) + rr2_delta)
109033 rr2_r = floor(r_c(2) + rr2_delta)
109034
109035 r = r_tmp + (rr2_l)*dr
109036
109037 exp2_2rdr = exp(-2*alpha*r*dr)
109038 exp2_rsq = exp(-alpha*r*r)
109039
109040 DO rr2 = rr2_l, rr2_r
109041 r_pow_t = 1.0_dp
109042 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
109043 r_pow_t = r_pow_t*r
109044 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
109045 r_pow_t = r_pow_t*r
109046 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
109047 r_pow_t = r_pow_t*r
109048 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
109049 r_pow_t = r_pow_t*r
109050 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
109051 r_pow_t = r_pow_t*r
109052 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
109053 r_pow_t = r_pow_t*r
109054 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
109055 r_pow_t = r_pow_t*r
109056 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
109057 r_pow_t = r_pow_t*r
109058 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
109059 r_pow_t = r_pow_t*r
109060 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
109061
109062 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
109063 exp2_2rdr = exp2_2rdr*exp_2drsq
109064 r = r + dr
109065 END DO
109066
109067 ! C --> H
109068 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
109069 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
109070 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
109071 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
109072 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
109073 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
109074 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
109075 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
109076 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
109077 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
109078 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
109079 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
109080 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
109081 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
109082 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
109083 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
109084 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
109085 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
109086 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
109087 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
109088 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
109089 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
109090 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
109091 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
109092 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
109093 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
109094 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
109095 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
109096 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
109097 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
109098 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
109099 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
109100 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
109101 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
109102 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
109103 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
109104 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
109105 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
109106 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
109107 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
109108 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
109109 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
109110 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
109111 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
109112 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
109113 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
109114 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
109115 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
109116 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
109117 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
109118 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
109119 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
109120 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
109121 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
109122 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
109123
109124 ! H --> HH
109125 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
109126
109127 c1 = 1.0_dp/(zeta + zetb)
109128 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
109129 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
109130
109131 e_0_1_0 = zeta*( &
109132 +c2*e_0_0_0&
109133
109134 )
109135 e_0_0_1 = zetb*( &
109136 +c3*e_0_0_0&
109137
109138 )
109139 e_1_1_0 = zeta*( c1*e_0_0_0 &
109140
109141
109142 )
109143 e_1_0_1 = zetb*( c1*e_0_0_0 &
109144
109145
109146 )
109147 e_0_2_0 = zeta*( &
109148 +c2*e_0_1_0&
109149 +2*e_1_1_0 &
109150 -2*e_0_0_0)
109151 e_0_1_1 = zetb*( &
109152 +c3*e_0_1_0&
109153 +2*e_1_1_0 &
109154 )
109155 e_1_2_0 = zeta*( c1*e_0_1_0 &
109156 +c2*e_1_1_0&
109157
109158 )
109159 e_1_1_1 = zetb*( c1*e_0_1_0 &
109160 +c3*e_1_1_0&
109161
109162 )
109163 e_2_2_0 = zeta*( c1*e_1_1_0 &
109164
109165
109166 )
109167 e_2_1_1 = zetb*( c1*e_1_1_0 &
109168
109169
109170 )
109171 e_0_3_0 = zeta*( &
109172 +c2*e_0_2_0&
109173 +2*e_1_2_0 &
109174 -4*e_0_1_0)
109175 e_0_2_1 = zetb*( &
109176 +c3*e_0_2_0&
109177 +2*e_1_2_0 &
109178 )
109179 e_1_3_0 = zeta*( c1*e_0_2_0 &
109180 +c2*e_1_2_0&
109181 +4*e_2_2_0 &
109182 -4*e_1_1_0)
109183 e_1_2_1 = zetb*( c1*e_0_2_0 &
109184 +c3*e_1_2_0&
109185 +4*e_2_2_0 &
109186 )
109187 e_2_3_0 = zeta*( c1*e_1_2_0 &
109188 +c2*e_2_2_0&
109189
109190 )
109191 e_2_2_1 = zetb*( c1*e_1_2_0 &
109192 +c3*e_2_2_0&
109193
109194 )
109195 e_3_3_0 = zeta*( c1*e_2_2_0 &
109196
109197
109198 )
109199 e_3_2_1 = zetb*( c1*e_2_2_0 &
109200
109201
109202 )
109203 e_0_4_0 = zeta*( &
109204 +c2*e_0_3_0&
109205 +2*e_1_3_0 &
109206 -6*e_0_2_0)
109207 e_0_3_1 = zetb*( &
109208 +c3*e_0_3_0&
109209 +2*e_1_3_0 &
109210 )
109211 e_1_4_0 = zeta*( c1*e_0_3_0 &
109212 +c2*e_1_3_0&
109213 +4*e_2_3_0 &
109214 -6*e_1_2_0)
109215 e_1_3_1 = zetb*( c1*e_0_3_0 &
109216 +c3*e_1_3_0&
109217 +4*e_2_3_0 &
109218 )
109219 e_2_4_0 = zeta*( c1*e_1_3_0 &
109220 +c2*e_2_3_0&
109221 +6*e_3_3_0 &
109222 -6*e_2_2_0)
109223 e_2_3_1 = zetb*( c1*e_1_3_0 &
109224 +c3*e_2_3_0&
109225 +6*e_3_3_0 &
109226 )
109227 e_3_4_0 = zeta*( c1*e_2_3_0 &
109228 +c2*e_3_3_0&
109229
109230 )
109231 e_3_3_1 = zetb*( c1*e_2_3_0 &
109232 +c3*e_3_3_0&
109233
109234 )
109235 e_4_4_0 = zeta*( c1*e_3_3_0 &
109236
109237
109238 )
109239 e_4_3_1 = zetb*( c1*e_3_3_0 &
109240
109241
109242 )
109243 e_0_4_1 = zetb*( &
109244 +c3*e_0_4_0&
109245 +2*e_1_4_0 &
109246 )
109247 e_1_4_1 = zetb*( c1*e_0_4_0 &
109248 +c3*e_1_4_0&
109249 +4*e_2_4_0 &
109250 )
109251 e_2_4_1 = zetb*( c1*e_1_4_0 &
109252 +c3*e_2_4_0&
109253 +6*e_3_4_0 &
109254 )
109255 e_3_4_1 = zetb*( c1*e_2_4_0 &
109256 +c3*e_3_4_0&
109257 +8*e_4_4_0 &
109258 )
109259 e_4_4_1 = zetb*( c1*e_3_4_0 &
109260 +c3*e_4_4_0&
109261
109262 )
109263 e_5_4_1 = zetb*( c1*e_4_4_0 &
109264
109265
109266 )
109267 e_0_1_1 = zeta*( &
109268 +c2*e_0_0_1&
109269 +2*e_1_0_1 &
109270 )
109271 e_0_0_2 = zetb*( &
109272 +c3*e_0_0_1&
109273 +2*e_1_0_1 &
109274 -2*e_0_0_0)
109275 e_1_1_1 = zeta*( c1*e_0_0_1 &
109276 +c2*e_1_0_1&
109277
109278 )
109279 e_1_0_2 = zetb*( c1*e_0_0_1 &
109280 +c3*e_1_0_1&
109281
109282 )
109283 e_2_1_1 = zeta*( c1*e_1_0_1 &
109284
109285
109286 )
109287 e_2_0_2 = zetb*( c1*e_1_0_1 &
109288
109289
109290 )
109291 e_0_2_1 = zeta*( &
109292 +c2*e_0_1_1&
109293 +2*e_1_1_1 &
109294 -2*e_0_0_1)
109295 e_0_1_2 = zetb*( &
109296 +c3*e_0_1_1&
109297 +2*e_1_1_1 &
109298 -2*e_0_1_0)
109299 e_1_2_1 = zeta*( c1*e_0_1_1 &
109300 +c2*e_1_1_1&
109301 +4*e_2_1_1 &
109302 -2*e_1_0_1)
109303 e_1_1_2 = zetb*( c1*e_0_1_1 &
109304 +c3*e_1_1_1&
109305 +4*e_2_1_1 &
109306 -2*e_1_1_0)
109307 e_2_2_1 = zeta*( c1*e_1_1_1 &
109308 +c2*e_2_1_1&
109309
109310 )
109311 e_2_1_2 = zetb*( c1*e_1_1_1 &
109312 +c3*e_2_1_1&
109313
109314 )
109315 e_3_2_1 = zeta*( c1*e_2_1_1 &
109316
109317
109318 )
109319 e_3_1_2 = zetb*( c1*e_2_1_1 &
109320
109321
109322 )
109323 e_0_3_1 = zeta*( &
109324 +c2*e_0_2_1&
109325 +2*e_1_2_1 &
109326 -4*e_0_1_1)
109327 e_0_2_2 = zetb*( &
109328 +c3*e_0_2_1&
109329 +2*e_1_2_1 &
109330 -2*e_0_2_0)
109331 e_1_3_1 = zeta*( c1*e_0_2_1 &
109332 +c2*e_1_2_1&
109333 +4*e_2_2_1 &
109334 -4*e_1_1_1)
109335 e_1_2_2 = zetb*( c1*e_0_2_1 &
109336 +c3*e_1_2_1&
109337 +4*e_2_2_1 &
109338 -2*e_1_2_0)
109339 e_2_3_1 = zeta*( c1*e_1_2_1 &
109340 +c2*e_2_2_1&
109341 +6*e_3_2_1 &
109342 -4*e_2_1_1)
109343 e_2_2_2 = zetb*( c1*e_1_2_1 &
109344 +c3*e_2_2_1&
109345 +6*e_3_2_1 &
109346 -2*e_2_2_0)
109347 e_3_3_1 = zeta*( c1*e_2_2_1 &
109348 +c2*e_3_2_1&
109349
109350 )
109351 e_3_2_2 = zetb*( c1*e_2_2_1 &
109352 +c3*e_3_2_1&
109353
109354 )
109355 e_4_3_1 = zeta*( c1*e_3_2_1 &
109356
109357
109358 )
109359 e_4_2_2 = zetb*( c1*e_3_2_1 &
109360
109361
109362 )
109363 e_0_4_1 = zeta*( &
109364 +c2*e_0_3_1&
109365 +2*e_1_3_1 &
109366 -6*e_0_2_1)
109367 e_0_3_2 = zetb*( &
109368 +c3*e_0_3_1&
109369 +2*e_1_3_1 &
109370 -2*e_0_3_0)
109371 e_1_4_1 = zeta*( c1*e_0_3_1 &
109372 +c2*e_1_3_1&
109373 +4*e_2_3_1 &
109374 -6*e_1_2_1)
109375 e_1_3_2 = zetb*( c1*e_0_3_1 &
109376 +c3*e_1_3_1&
109377 +4*e_2_3_1 &
109378 -2*e_1_3_0)
109379 e_2_4_1 = zeta*( c1*e_1_3_1 &
109380 +c2*e_2_3_1&
109381 +6*e_3_3_1 &
109382 -6*e_2_2_1)
109383 e_2_3_2 = zetb*( c1*e_1_3_1 &
109384 +c3*e_2_3_1&
109385 +6*e_3_3_1 &
109386 -2*e_2_3_0)
109387 e_3_4_1 = zeta*( c1*e_2_3_1 &
109388 +c2*e_3_3_1&
109389 +8*e_4_3_1 &
109390 -6*e_3_2_1)
109391 e_3_3_2 = zetb*( c1*e_2_3_1 &
109392 +c3*e_3_3_1&
109393 +8*e_4_3_1 &
109394 -2*e_3_3_0)
109395 e_4_4_1 = zeta*( c1*e_3_3_1 &
109396 +c2*e_4_3_1&
109397
109398 )
109399 e_4_3_2 = zetb*( c1*e_3_3_1 &
109400 +c3*e_4_3_1&
109401
109402 )
109403 e_5_4_1 = zeta*( c1*e_4_3_1 &
109404
109405
109406 )
109407 e_5_3_2 = zetb*( c1*e_4_3_1 &
109408
109409
109410 )
109411 e_0_4_2 = zetb*( &
109412 +c3*e_0_4_1&
109413 +2*e_1_4_1 &
109414 -2*e_0_4_0)
109415 e_1_4_2 = zetb*( c1*e_0_4_1 &
109416 +c3*e_1_4_1&
109417 +4*e_2_4_1 &
109418 -2*e_1_4_0)
109419 e_2_4_2 = zetb*( c1*e_1_4_1 &
109420 +c3*e_2_4_1&
109421 +6*e_3_4_1 &
109422 -2*e_2_4_0)
109423 e_3_4_2 = zetb*( c1*e_2_4_1 &
109424 +c3*e_3_4_1&
109425 +8*e_4_4_1 &
109426 -2*e_3_4_0)
109427 e_4_4_2 = zetb*( c1*e_3_4_1 &
109428 +c3*e_4_4_1&
109429 +10*e_5_4_1 &
109430 -2*e_4_4_0)
109431 e_5_4_2 = zetb*( c1*e_4_4_1 &
109432 +c3*e_5_4_1&
109433
109434 )
109435 e_6_4_2 = zetb*( c1*e_5_4_1 &
109436
109437
109438 )
109439 e_0_1_2 = zeta*( &
109440 +c2*e_0_0_2&
109441 +2*e_1_0_2 &
109442 )
109443 e_0_0_3 = zetb*( &
109444 +c3*e_0_0_2&
109445 +2*e_1_0_2 &
109446 -4*e_0_0_1)
109447 e_1_1_2 = zeta*( c1*e_0_0_2 &
109448 +c2*e_1_0_2&
109449 +4*e_2_0_2 &
109450 )
109451 e_1_0_3 = zetb*( c1*e_0_0_2 &
109452 +c3*e_1_0_2&
109453 +4*e_2_0_2 &
109454 -4*e_1_0_1)
109455 e_2_1_2 = zeta*( c1*e_1_0_2 &
109456 +c2*e_2_0_2&
109457
109458 )
109459 e_2_0_3 = zetb*( c1*e_1_0_2 &
109460 +c3*e_2_0_2&
109461
109462 )
109463 e_3_1_2 = zeta*( c1*e_2_0_2 &
109464
109465
109466 )
109467 e_3_0_3 = zetb*( c1*e_2_0_2 &
109468
109469
109470 )
109471 e_0_2_2 = zeta*( &
109472 +c2*e_0_1_2&
109473 +2*e_1_1_2 &
109474 -2*e_0_0_2)
109475 e_0_1_3 = zetb*( &
109476 +c3*e_0_1_2&
109477 +2*e_1_1_2 &
109478 -4*e_0_1_1)
109479 e_1_2_2 = zeta*( c1*e_0_1_2 &
109480 +c2*e_1_1_2&
109481 +4*e_2_1_2 &
109482 -2*e_1_0_2)
109483 e_1_1_3 = zetb*( c1*e_0_1_2 &
109484 +c3*e_1_1_2&
109485 +4*e_2_1_2 &
109486 -4*e_1_1_1)
109487 e_2_2_2 = zeta*( c1*e_1_1_2 &
109488 +c2*e_2_1_2&
109489 +6*e_3_1_2 &
109490 -2*e_2_0_2)
109491 e_2_1_3 = zetb*( c1*e_1_1_2 &
109492 +c3*e_2_1_2&
109493 +6*e_3_1_2 &
109494 -4*e_2_1_1)
109495 e_3_2_2 = zeta*( c1*e_2_1_2 &
109496 +c2*e_3_1_2&
109497
109498 )
109499 e_3_1_3 = zetb*( c1*e_2_1_2 &
109500 +c3*e_3_1_2&
109501
109502 )
109503 e_4_2_2 = zeta*( c1*e_3_1_2 &
109504
109505
109506 )
109507 e_4_1_3 = zetb*( c1*e_3_1_2 &
109508
109509
109510 )
109511 e_0_3_2 = zeta*( &
109512 +c2*e_0_2_2&
109513 +2*e_1_2_2 &
109514 -4*e_0_1_2)
109515 e_0_2_3 = zetb*( &
109516 +c3*e_0_2_2&
109517 +2*e_1_2_2 &
109518 -4*e_0_2_1)
109519 e_1_3_2 = zeta*( c1*e_0_2_2 &
109520 +c2*e_1_2_2&
109521 +4*e_2_2_2 &
109522 -4*e_1_1_2)
109523 e_1_2_3 = zetb*( c1*e_0_2_2 &
109524 +c3*e_1_2_2&
109525 +4*e_2_2_2 &
109526 -4*e_1_2_1)
109527 e_2_3_2 = zeta*( c1*e_1_2_2 &
109528 +c2*e_2_2_2&
109529 +6*e_3_2_2 &
109530 -4*e_2_1_2)
109531 e_2_2_3 = zetb*( c1*e_1_2_2 &
109532 +c3*e_2_2_2&
109533 +6*e_3_2_2 &
109534 -4*e_2_2_1)
109535 e_3_3_2 = zeta*( c1*e_2_2_2 &
109536 +c2*e_3_2_2&
109537 +8*e_4_2_2 &
109538 -4*e_3_1_2)
109539 e_3_2_3 = zetb*( c1*e_2_2_2 &
109540 +c3*e_3_2_2&
109541 +8*e_4_2_2 &
109542 -4*e_3_2_1)
109543 e_4_3_2 = zeta*( c1*e_3_2_2 &
109544 +c2*e_4_2_2&
109545
109546 )
109547 e_4_2_3 = zetb*( c1*e_3_2_2 &
109548 +c3*e_4_2_2&
109549
109550 )
109551 e_5_3_2 = zeta*( c1*e_4_2_2 &
109552
109553
109554 )
109555 e_5_2_3 = zetb*( c1*e_4_2_2 &
109556
109557
109558 )
109559 e_0_4_2 = zeta*( &
109560 +c2*e_0_3_2&
109561 +2*e_1_3_2 &
109562 -6*e_0_2_2)
109563 e_0_3_3 = zetb*( &
109564 +c3*e_0_3_2&
109565 +2*e_1_3_2 &
109566 -4*e_0_3_1)
109567 e_1_4_2 = zeta*( c1*e_0_3_2 &
109568 +c2*e_1_3_2&
109569 +4*e_2_3_2 &
109570 -6*e_1_2_2)
109571 e_1_3_3 = zetb*( c1*e_0_3_2 &
109572 +c3*e_1_3_2&
109573 +4*e_2_3_2 &
109574 -4*e_1_3_1)
109575 e_2_4_2 = zeta*( c1*e_1_3_2 &
109576 +c2*e_2_3_2&
109577 +6*e_3_3_2 &
109578 -6*e_2_2_2)
109579 e_2_3_3 = zetb*( c1*e_1_3_2 &
109580 +c3*e_2_3_2&
109581 +6*e_3_3_2 &
109582 -4*e_2_3_1)
109583 e_3_4_2 = zeta*( c1*e_2_3_2 &
109584 +c2*e_3_3_2&
109585 +8*e_4_3_2 &
109586 -6*e_3_2_2)
109587 e_3_3_3 = zetb*( c1*e_2_3_2 &
109588 +c3*e_3_3_2&
109589 +8*e_4_3_2 &
109590 -4*e_3_3_1)
109591 e_4_4_2 = zeta*( c1*e_3_3_2 &
109592 +c2*e_4_3_2&
109593 +10*e_5_3_2 &
109594 -6*e_4_2_2)
109595 e_4_3_3 = zetb*( c1*e_3_3_2 &
109596 +c3*e_4_3_2&
109597 +10*e_5_3_2 &
109598 -4*e_4_3_1)
109599 e_5_4_2 = zeta*( c1*e_4_3_2 &
109600 +c2*e_5_3_2&
109601
109602 )
109603 e_5_3_3 = zetb*( c1*e_4_3_2 &
109604 +c3*e_5_3_2&
109605
109606 )
109607 e_6_4_2 = zeta*( c1*e_5_3_2 &
109608
109609
109610 )
109611 e_6_3_3 = zetb*( c1*e_5_3_2 &
109612
109613
109614 )
109615 e_0_4_3 = zetb*( &
109616 +c3*e_0_4_2&
109617 +2*e_1_4_2 &
109618 -4*e_0_4_1)
109619 e_1_4_3 = zetb*( c1*e_0_4_2 &
109620 +c3*e_1_4_2&
109621 +4*e_2_4_2 &
109622 -4*e_1_4_1)
109623 e_2_4_3 = zetb*( c1*e_1_4_2 &
109624 +c3*e_2_4_2&
109625 +6*e_3_4_2 &
109626 -4*e_2_4_1)
109627 e_3_4_3 = zetb*( c1*e_2_4_2 &
109628 +c3*e_3_4_2&
109629 +8*e_4_4_2 &
109630 -4*e_3_4_1)
109631 e_4_4_3 = zetb*( c1*e_3_4_2 &
109632 +c3*e_4_4_2&
109633 +10*e_5_4_2 &
109634 -4*e_4_4_1)
109635 e_5_4_3 = zetb*( c1*e_4_4_2 &
109636 +c3*e_5_4_2&
109637 +12*e_6_4_2 &
109638 -4*e_5_4_1)
109639 e_6_4_3 = zetb*( c1*e_5_4_2 &
109640 +c3*e_6_4_2&
109641
109642 )
109643 e_7_4_3 = zetb*( c1*e_6_4_2 &
109644
109645
109646 )
109647 e_0_1_3 = zeta*( &
109648 +c2*e_0_0_3&
109649 +2*e_1_0_3 &
109650 )
109651 e_1_1_3 = zeta*( c1*e_0_0_3 &
109652 +c2*e_1_0_3&
109653 +4*e_2_0_3 &
109654 )
109655 e_2_1_3 = zeta*( c1*e_1_0_3 &
109656 +c2*e_2_0_3&
109657 +6*e_3_0_3 &
109658 )
109659 e_3_1_3 = zeta*( c1*e_2_0_3 &
109660 +c2*e_3_0_3&
109661
109662 )
109663 e_4_1_3 = zeta*( c1*e_3_0_3 &
109664
109665
109666 )
109667 e_0_2_3 = zeta*( &
109668 +c2*e_0_1_3&
109669 +2*e_1_1_3 &
109670 -2*e_0_0_3)
109671 e_1_2_3 = zeta*( c1*e_0_1_3 &
109672 +c2*e_1_1_3&
109673 +4*e_2_1_3 &
109674 -2*e_1_0_3)
109675 e_2_2_3 = zeta*( c1*e_1_1_3 &
109676 +c2*e_2_1_3&
109677 +6*e_3_1_3 &
109678 -2*e_2_0_3)
109679 e_3_2_3 = zeta*( c1*e_2_1_3 &
109680 +c2*e_3_1_3&
109681 +8*e_4_1_3 &
109682 -2*e_3_0_3)
109683 e_4_2_3 = zeta*( c1*e_3_1_3 &
109684 +c2*e_4_1_3&
109685
109686 )
109687 e_5_2_3 = zeta*( c1*e_4_1_3 &
109688
109689
109690 )
109691 e_0_3_3 = zeta*( &
109692 +c2*e_0_2_3&
109693 +2*e_1_2_3 &
109694 -4*e_0_1_3)
109695 e_1_3_3 = zeta*( c1*e_0_2_3 &
109696 +c2*e_1_2_3&
109697 +4*e_2_2_3 &
109698 -4*e_1_1_3)
109699 e_2_3_3 = zeta*( c1*e_1_2_3 &
109700 +c2*e_2_2_3&
109701 +6*e_3_2_3 &
109702 -4*e_2_1_3)
109703 e_3_3_3 = zeta*( c1*e_2_2_3 &
109704 +c2*e_3_2_3&
109705 +8*e_4_2_3 &
109706 -4*e_3_1_3)
109707 e_4_3_3 = zeta*( c1*e_3_2_3 &
109708 +c2*e_4_2_3&
109709 +10*e_5_2_3 &
109710 -4*e_4_1_3)
109711 e_5_3_3 = zeta*( c1*e_4_2_3 &
109712 +c2*e_5_2_3&
109713
109714 )
109715 e_6_3_3 = zeta*( c1*e_5_2_3 &
109716
109717
109718 )
109719 e_0_4_3 = zeta*( &
109720 +c2*e_0_3_3&
109721 +2*e_1_3_3 &
109722 -6*e_0_2_3)
109723 e_1_4_3 = zeta*( c1*e_0_3_3 &
109724 +c2*e_1_3_3&
109725 +4*e_2_3_3 &
109726 -6*e_1_2_3)
109727 e_2_4_3 = zeta*( c1*e_1_3_3 &
109728 +c2*e_2_3_3&
109729 +6*e_3_3_3 &
109730 -6*e_2_2_3)
109731 e_3_4_3 = zeta*( c1*e_2_3_3 &
109732 +c2*e_3_3_3&
109733 +8*e_4_3_3 &
109734 -6*e_3_2_3)
109735 e_4_4_3 = zeta*( c1*e_3_3_3 &
109736 +c2*e_4_3_3&
109737 +10*e_5_3_3 &
109738 -6*e_4_2_3)
109739 e_5_4_3 = zeta*( c1*e_4_3_3 &
109740 +c2*e_5_3_3&
109741 +12*e_6_3_3 &
109742 -6*e_5_2_3)
109743 e_6_4_3 = zeta*( c1*e_5_3_3 &
109744 +c2*e_6_3_3&
109745
109746 )
109747 e_7_4_3 = zeta*( c1*e_6_3_3 &
109748
109749
109750 )
109751
109752 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
109753 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
109754 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
109755 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
109756 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
109757 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
109758 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
109759 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
109760 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
109761 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
109762 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
109763 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
109764 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
109765 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
109766 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
109767 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
109768 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
109769 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
109770 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
109771 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
109772 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
109773 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
109774 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
109775 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
109776 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
109777 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
109778 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
109779 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
109780 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
109781 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
109782 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
109783 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
109784 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
109785 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
109786 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
109787 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
109788 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
109789 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
109790 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
109791 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
109792 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
109793 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
109794 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
109795 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
109796 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
109797 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
109798 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
109799 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
109800 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
109801 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
109802 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
109803 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
109804 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
109805 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
109806 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
109807 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
109808 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
109809 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
109810 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
109811 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
109812 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
109813 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
109814 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
109815 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
109816 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
109817 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
109818 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
109819 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
109820 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
109821 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
109822 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
109823 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
109824 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
109825 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
109826 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
109827 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
109828 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
109829 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
109830 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
109831 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
109832 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
109833 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
109834 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
109835 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
109836 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
109837 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
109838 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
109839 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
109840 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
109841 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
109842 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
109843 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
109844 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
109845 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
109846 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
109847 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
109848 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
109849 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
109850 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
109851 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
109852 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
109853 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
109854 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
109855 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
109856 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
109857 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
109858 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
109859 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
109860 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
109861 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
109862 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
109863 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
109864 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
109865 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
109866 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
109867 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
109868 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
109869 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
109870 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
109871 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
109872 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
109873 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
109874 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
109875 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
109876 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
109877 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
109878 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
109879 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
109880 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
109881 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
109882 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
109883 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
109884 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
109885 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
109886 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
109887 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
109888 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
109889 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
109890 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
109891 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
109892 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
109893 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
109894 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
109895 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
109896 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
109897 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
109898 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
109899 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
109900 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
109901 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
109902 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
109903 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
109904 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
109905 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
109906 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
109907 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
109908 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
109909 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
109910 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
109911 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
109912 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
109913 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
109914 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
109915 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
109916 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
109917 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
109918 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
109919 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
109920 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
109921 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
109922 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
109923 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
109924 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
109925 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
109926 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
109927 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
109928 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
109929 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
109930 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
109931 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
109932 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
109933 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
109934 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
109935 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
109936 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
109937 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
109938 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
109939 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
109940 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
109941 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
109942 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
109943 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
109944 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
109945 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
109946 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
109947 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
109948 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
109949 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
109950 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
109951 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
109952 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
109953 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
109954 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
109955 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
109956 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
109957 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
109958 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
109959 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
109960 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
109961 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
109962 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
109963 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
109964 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
109965 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
109966 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
109967 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
109968 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
109969 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
109970 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
109971 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
109972 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
109973 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
109974 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
109975 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
109976 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
109977 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
109978 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
109979 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
109980 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
109981 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
109982 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
109983 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
109984 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
109985 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
109986 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
109987 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
109988 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
109989 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
109990 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
109991 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
109992 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
109993 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
109994 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
109995 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
109996 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
109997 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
109998 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
109999 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
110000 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
110001 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
110002 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
110003 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
110004 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
110005 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
110006 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
110007 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
110008 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
110009 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
110010 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
110011 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
110012 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
110013 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
110014 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
110015 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
110016 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
110017 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
110018 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
110019 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
110020 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
110021 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
110022 r1 = r1 + dr
110023 END DO
110024
110025 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
110026 END SUBROUTINE
110027 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_3_exp_1 ( &
110028 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
110029 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
110030 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
110031 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
110032 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
110033 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
110034 r_pow_t, r_tmp, rr1_delta, rr2_delta
110035
110036 REAL(kind=dp) :: c1, c2, c3
110037 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
110038 & s_r_t_10
110039 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
110040 & s_r_t2_9, s_r_t2_10
110041 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
110042 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
110043 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
110044 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
110045 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
110046 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
110047 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
110048 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
110049 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
110050 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
110051 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
110052 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
110053 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
110054 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
110055
110056 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
110057
110058 dr = lgth
110059 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
110060
110061 s_r(:, :, :) = 0.0_dp
110062
110063 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
110064
110065 h_to_c_0_0 = sqrt(alpha/pi)
110066
110067 h_to_c_0_1 = 0.0_dp
110068 h_to_c_1_1 = +2*alpha*h_to_c_0_0
110069 h_to_c_0_2 = -1*h_to_c_1_1
110070 h_to_c_1_2 = +2*alpha*h_to_c_0_1
110071 h_to_c_2_2 = +2*alpha*h_to_c_1_1
110072 h_to_c_0_3 = -1*h_to_c_1_2
110073 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
110074 h_to_c_2_3 = +2*alpha*h_to_c_1_2
110075 h_to_c_3_3 = +2*alpha*h_to_c_2_2
110076 h_to_c_0_4 = -1*h_to_c_1_3
110077 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
110078 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
110079 h_to_c_3_4 = +2*alpha*h_to_c_2_3
110080 h_to_c_4_4 = +2*alpha*h_to_c_3_3
110081 h_to_c_0_5 = -1*h_to_c_1_4
110082 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
110083 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
110084 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
110085 h_to_c_4_5 = +2*alpha*h_to_c_3_4
110086 h_to_c_5_5 = +2*alpha*h_to_c_4_4
110087 h_to_c_0_6 = -1*h_to_c_1_5
110088 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
110089 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
110090 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
110091 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
110092 h_to_c_5_6 = +2*alpha*h_to_c_4_5
110093 h_to_c_6_6 = +2*alpha*h_to_c_5_5
110094 h_to_c_0_7 = -1*h_to_c_1_6
110095 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
110096 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
110097 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
110098 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
110099 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
110100 h_to_c_6_7 = +2*alpha*h_to_c_5_6
110101 h_to_c_7_7 = +2*alpha*h_to_c_6_6
110102 h_to_c_0_8 = -1*h_to_c_1_7
110103 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
110104 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
110105 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
110106 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
110107 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
110108 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
110109 h_to_c_7_8 = +2*alpha*h_to_c_6_7
110110 h_to_c_8_8 = +2*alpha*h_to_c_7_7
110111 h_to_c_0_9 = -1*h_to_c_1_8
110112 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
110113 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
110114 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
110115 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
110116 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
110117 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
110118 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
110119 h_to_c_8_9 = +2*alpha*h_to_c_7_8
110120 h_to_c_9_9 = +2*alpha*h_to_c_8_8
110121 h_to_c_0_10 = -1*h_to_c_1_9
110122 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
110123 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
110124 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
110125 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
110126 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
110127 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
110128 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
110129 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
110130 h_to_c_9_10 = +2*alpha*h_to_c_8_9
110131 h_to_c_10_10 = +2*alpha*h_to_c_9_9
110132
110133 exp_drsq = exp(-alpha*dr*dr)
110134 exp_2drsq = exp_drsq*exp_drsq
110135
110136 rr1_delta = (ra - rb)/dr
110137
110138 rr1_l = ceiling(-r_c(1) + rr1_delta)
110139 rr1_r = floor(r_c(1) + rr1_delta)
110140
110141 r1 = rr1_l*dr
110142
110143 alpha_e = zeta*zetb/(zeta + zetb)
110144
110145 DO rr1 = rr1_l, rr1_r
110146 s_r_t_0 = 0.0_dp
110147 s_r_t2_0 = 0.0_dp
110148 s_r_t_1 = 0.0_dp
110149 s_r_t2_1 = 0.0_dp
110150 s_r_t_2 = 0.0_dp
110151 s_r_t2_2 = 0.0_dp
110152 s_r_t_3 = 0.0_dp
110153 s_r_t2_3 = 0.0_dp
110154 s_r_t_4 = 0.0_dp
110155 s_r_t2_4 = 0.0_dp
110156 s_r_t_5 = 0.0_dp
110157 s_r_t2_5 = 0.0_dp
110158 s_r_t_6 = 0.0_dp
110159 s_r_t2_6 = 0.0_dp
110160 s_r_t_7 = 0.0_dp
110161 s_r_t2_7 = 0.0_dp
110162 s_r_t_8 = 0.0_dp
110163 s_r_t2_8 = 0.0_dp
110164 s_r_t_9 = 0.0_dp
110165 s_r_t2_9 = 0.0_dp
110166 s_r_t_10 = 0.0_dp
110167 s_r_t2_10 = 0.0_dp
110168 r_tmp = r_offset + r1*zeta/(zeta + zetb)
110169 rr2_delta = -r_tmp/dr
110170
110171 rr2_l = ceiling(-r_c(2) + rr2_delta)
110172 rr2_r = floor(r_c(2) + rr2_delta)
110173
110174 r = r_tmp + (rr2_l)*dr
110175
110176 exp2_2rdr = exp(-2*alpha*r*dr)
110177 exp2_rsq = exp(-alpha*r*r)
110178
110179 DO rr2 = rr2_l, rr2_r
110180 r_pow_t = 1.0_dp
110181 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
110182 r_pow_t = r_pow_t*r
110183 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
110184 r_pow_t = r_pow_t*r
110185 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
110186 r_pow_t = r_pow_t*r
110187 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
110188 r_pow_t = r_pow_t*r
110189 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
110190 r_pow_t = r_pow_t*r
110191 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
110192 r_pow_t = r_pow_t*r
110193 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
110194 r_pow_t = r_pow_t*r
110195 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
110196 r_pow_t = r_pow_t*r
110197 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
110198 r_pow_t = r_pow_t*r
110199 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
110200 r_pow_t = r_pow_t*r
110201 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
110202
110203 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
110204 exp2_2rdr = exp2_2rdr*exp_2drsq
110205 r = r + dr
110206 END DO
110207
110208 ! C --> H
110209 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
110210 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
110211 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
110212 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
110213 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
110214 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
110215 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
110216 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
110217 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
110218 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
110219 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
110220 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
110221 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
110222 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
110223 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
110224 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
110225 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
110226 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
110227 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
110228 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
110229 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
110230 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
110231 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
110232 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
110233 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
110234 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
110235 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
110236 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
110237 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
110238 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
110239 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
110240 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
110241 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
110242 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
110243 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
110244 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
110245 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
110246 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
110247 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
110248 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
110249 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
110250 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
110251 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
110252 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
110253 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
110254 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
110255 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
110256 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
110257 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
110258 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
110259 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
110260 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
110261 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
110262 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
110263 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
110264 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
110265 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
110266 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
110267 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
110268 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
110269 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
110270 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
110271 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
110272 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
110273 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
110274 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
110275
110276 ! H --> HH
110277 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
110278
110279 c1 = 1.0_dp/(zeta + zetb)
110280 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
110281 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
110282
110283 e_0_1_0 = zeta*( &
110284 +c2*e_0_0_0&
110285
110286 )
110287 e_0_0_1 = zetb*( &
110288 +c3*e_0_0_0&
110289
110290 )
110291 e_1_1_0 = zeta*( c1*e_0_0_0 &
110292
110293
110294 )
110295 e_1_0_1 = zetb*( c1*e_0_0_0 &
110296
110297
110298 )
110299 e_0_2_0 = zeta*( &
110300 +c2*e_0_1_0&
110301 +2*e_1_1_0 &
110302 -2*e_0_0_0)
110303 e_0_1_1 = zetb*( &
110304 +c3*e_0_1_0&
110305 +2*e_1_1_0 &
110306 )
110307 e_1_2_0 = zeta*( c1*e_0_1_0 &
110308 +c2*e_1_1_0&
110309
110310 )
110311 e_1_1_1 = zetb*( c1*e_0_1_0 &
110312 +c3*e_1_1_0&
110313
110314 )
110315 e_2_2_0 = zeta*( c1*e_1_1_0 &
110316
110317
110318 )
110319 e_2_1_1 = zetb*( c1*e_1_1_0 &
110320
110321
110322 )
110323 e_0_3_0 = zeta*( &
110324 +c2*e_0_2_0&
110325 +2*e_1_2_0 &
110326 -4*e_0_1_0)
110327 e_0_2_1 = zetb*( &
110328 +c3*e_0_2_0&
110329 +2*e_1_2_0 &
110330 )
110331 e_1_3_0 = zeta*( c1*e_0_2_0 &
110332 +c2*e_1_2_0&
110333 +4*e_2_2_0 &
110334 -4*e_1_1_0)
110335 e_1_2_1 = zetb*( c1*e_0_2_0 &
110336 +c3*e_1_2_0&
110337 +4*e_2_2_0 &
110338 )
110339 e_2_3_0 = zeta*( c1*e_1_2_0 &
110340 +c2*e_2_2_0&
110341
110342 )
110343 e_2_2_1 = zetb*( c1*e_1_2_0 &
110344 +c3*e_2_2_0&
110345
110346 )
110347 e_3_3_0 = zeta*( c1*e_2_2_0 &
110348
110349
110350 )
110351 e_3_2_1 = zetb*( c1*e_2_2_0 &
110352
110353
110354 )
110355 e_0_4_0 = zeta*( &
110356 +c2*e_0_3_0&
110357 +2*e_1_3_0 &
110358 -6*e_0_2_0)
110359 e_0_3_1 = zetb*( &
110360 +c3*e_0_3_0&
110361 +2*e_1_3_0 &
110362 )
110363 e_1_4_0 = zeta*( c1*e_0_3_0 &
110364 +c2*e_1_3_0&
110365 +4*e_2_3_0 &
110366 -6*e_1_2_0)
110367 e_1_3_1 = zetb*( c1*e_0_3_0 &
110368 +c3*e_1_3_0&
110369 +4*e_2_3_0 &
110370 )
110371 e_2_4_0 = zeta*( c1*e_1_3_0 &
110372 +c2*e_2_3_0&
110373 +6*e_3_3_0 &
110374 -6*e_2_2_0)
110375 e_2_3_1 = zetb*( c1*e_1_3_0 &
110376 +c3*e_2_3_0&
110377 +6*e_3_3_0 &
110378 )
110379 e_3_4_0 = zeta*( c1*e_2_3_0 &
110380 +c2*e_3_3_0&
110381
110382 )
110383 e_3_3_1 = zetb*( c1*e_2_3_0 &
110384 +c3*e_3_3_0&
110385
110386 )
110387 e_4_4_0 = zeta*( c1*e_3_3_0 &
110388
110389
110390 )
110391 e_4_3_1 = zetb*( c1*e_3_3_0 &
110392
110393
110394 )
110395 e_0_4_1 = zetb*( &
110396 +c3*e_0_4_0&
110397 +2*e_1_4_0 &
110398 )
110399 e_1_4_1 = zetb*( c1*e_0_4_0 &
110400 +c3*e_1_4_0&
110401 +4*e_2_4_0 &
110402 )
110403 e_2_4_1 = zetb*( c1*e_1_4_0 &
110404 +c3*e_2_4_0&
110405 +6*e_3_4_0 &
110406 )
110407 e_3_4_1 = zetb*( c1*e_2_4_0 &
110408 +c3*e_3_4_0&
110409 +8*e_4_4_0 &
110410 )
110411 e_4_4_1 = zetb*( c1*e_3_4_0 &
110412 +c3*e_4_4_0&
110413
110414 )
110415 e_5_4_1 = zetb*( c1*e_4_4_0 &
110416
110417
110418 )
110419 e_0_1_1 = zeta*( &
110420 +c2*e_0_0_1&
110421 +2*e_1_0_1 &
110422 )
110423 e_0_0_2 = zetb*( &
110424 +c3*e_0_0_1&
110425 +2*e_1_0_1 &
110426 -2*e_0_0_0)
110427 e_1_1_1 = zeta*( c1*e_0_0_1 &
110428 +c2*e_1_0_1&
110429
110430 )
110431 e_1_0_2 = zetb*( c1*e_0_0_1 &
110432 +c3*e_1_0_1&
110433
110434 )
110435 e_2_1_1 = zeta*( c1*e_1_0_1 &
110436
110437
110438 )
110439 e_2_0_2 = zetb*( c1*e_1_0_1 &
110440
110441
110442 )
110443 e_0_2_1 = zeta*( &
110444 +c2*e_0_1_1&
110445 +2*e_1_1_1 &
110446 -2*e_0_0_1)
110447 e_0_1_2 = zetb*( &
110448 +c3*e_0_1_1&
110449 +2*e_1_1_1 &
110450 -2*e_0_1_0)
110451 e_1_2_1 = zeta*( c1*e_0_1_1 &
110452 +c2*e_1_1_1&
110453 +4*e_2_1_1 &
110454 -2*e_1_0_1)
110455 e_1_1_2 = zetb*( c1*e_0_1_1 &
110456 +c3*e_1_1_1&
110457 +4*e_2_1_1 &
110458 -2*e_1_1_0)
110459 e_2_2_1 = zeta*( c1*e_1_1_1 &
110460 +c2*e_2_1_1&
110461
110462 )
110463 e_2_1_2 = zetb*( c1*e_1_1_1 &
110464 +c3*e_2_1_1&
110465
110466 )
110467 e_3_2_1 = zeta*( c1*e_2_1_1 &
110468
110469
110470 )
110471 e_3_1_2 = zetb*( c1*e_2_1_1 &
110472
110473
110474 )
110475 e_0_3_1 = zeta*( &
110476 +c2*e_0_2_1&
110477 +2*e_1_2_1 &
110478 -4*e_0_1_1)
110479 e_0_2_2 = zetb*( &
110480 +c3*e_0_2_1&
110481 +2*e_1_2_1 &
110482 -2*e_0_2_0)
110483 e_1_3_1 = zeta*( c1*e_0_2_1 &
110484 +c2*e_1_2_1&
110485 +4*e_2_2_1 &
110486 -4*e_1_1_1)
110487 e_1_2_2 = zetb*( c1*e_0_2_1 &
110488 +c3*e_1_2_1&
110489 +4*e_2_2_1 &
110490 -2*e_1_2_0)
110491 e_2_3_1 = zeta*( c1*e_1_2_1 &
110492 +c2*e_2_2_1&
110493 +6*e_3_2_1 &
110494 -4*e_2_1_1)
110495 e_2_2_2 = zetb*( c1*e_1_2_1 &
110496 +c3*e_2_2_1&
110497 +6*e_3_2_1 &
110498 -2*e_2_2_0)
110499 e_3_3_1 = zeta*( c1*e_2_2_1 &
110500 +c2*e_3_2_1&
110501
110502 )
110503 e_3_2_2 = zetb*( c1*e_2_2_1 &
110504 +c3*e_3_2_1&
110505
110506 )
110507 e_4_3_1 = zeta*( c1*e_3_2_1 &
110508
110509
110510 )
110511 e_4_2_2 = zetb*( c1*e_3_2_1 &
110512
110513
110514 )
110515 e_0_4_1 = zeta*( &
110516 +c2*e_0_3_1&
110517 +2*e_1_3_1 &
110518 -6*e_0_2_1)
110519 e_0_3_2 = zetb*( &
110520 +c3*e_0_3_1&
110521 +2*e_1_3_1 &
110522 -2*e_0_3_0)
110523 e_1_4_1 = zeta*( c1*e_0_3_1 &
110524 +c2*e_1_3_1&
110525 +4*e_2_3_1 &
110526 -6*e_1_2_1)
110527 e_1_3_2 = zetb*( c1*e_0_3_1 &
110528 +c3*e_1_3_1&
110529 +4*e_2_3_1 &
110530 -2*e_1_3_0)
110531 e_2_4_1 = zeta*( c1*e_1_3_1 &
110532 +c2*e_2_3_1&
110533 +6*e_3_3_1 &
110534 -6*e_2_2_1)
110535 e_2_3_2 = zetb*( c1*e_1_3_1 &
110536 +c3*e_2_3_1&
110537 +6*e_3_3_1 &
110538 -2*e_2_3_0)
110539 e_3_4_1 = zeta*( c1*e_2_3_1 &
110540 +c2*e_3_3_1&
110541 +8*e_4_3_1 &
110542 -6*e_3_2_1)
110543 e_3_3_2 = zetb*( c1*e_2_3_1 &
110544 +c3*e_3_3_1&
110545 +8*e_4_3_1 &
110546 -2*e_3_3_0)
110547 e_4_4_1 = zeta*( c1*e_3_3_1 &
110548 +c2*e_4_3_1&
110549
110550 )
110551 e_4_3_2 = zetb*( c1*e_3_3_1 &
110552 +c3*e_4_3_1&
110553
110554 )
110555 e_5_4_1 = zeta*( c1*e_4_3_1 &
110556
110557
110558 )
110559 e_5_3_2 = zetb*( c1*e_4_3_1 &
110560
110561
110562 )
110563 e_0_4_2 = zetb*( &
110564 +c3*e_0_4_1&
110565 +2*e_1_4_1 &
110566 -2*e_0_4_0)
110567 e_1_4_2 = zetb*( c1*e_0_4_1 &
110568 +c3*e_1_4_1&
110569 +4*e_2_4_1 &
110570 -2*e_1_4_0)
110571 e_2_4_2 = zetb*( c1*e_1_4_1 &
110572 +c3*e_2_4_1&
110573 +6*e_3_4_1 &
110574 -2*e_2_4_0)
110575 e_3_4_2 = zetb*( c1*e_2_4_1 &
110576 +c3*e_3_4_1&
110577 +8*e_4_4_1 &
110578 -2*e_3_4_0)
110579 e_4_4_2 = zetb*( c1*e_3_4_1 &
110580 +c3*e_4_4_1&
110581 +10*e_5_4_1 &
110582 -2*e_4_4_0)
110583 e_5_4_2 = zetb*( c1*e_4_4_1 &
110584 +c3*e_5_4_1&
110585
110586 )
110587 e_6_4_2 = zetb*( c1*e_5_4_1 &
110588
110589
110590 )
110591 e_0_1_2 = zeta*( &
110592 +c2*e_0_0_2&
110593 +2*e_1_0_2 &
110594 )
110595 e_0_0_3 = zetb*( &
110596 +c3*e_0_0_2&
110597 +2*e_1_0_2 &
110598 -4*e_0_0_1)
110599 e_1_1_2 = zeta*( c1*e_0_0_2 &
110600 +c2*e_1_0_2&
110601 +4*e_2_0_2 &
110602 )
110603 e_1_0_3 = zetb*( c1*e_0_0_2 &
110604 +c3*e_1_0_2&
110605 +4*e_2_0_2 &
110606 -4*e_1_0_1)
110607 e_2_1_2 = zeta*( c1*e_1_0_2 &
110608 +c2*e_2_0_2&
110609
110610 )
110611 e_2_0_3 = zetb*( c1*e_1_0_2 &
110612 +c3*e_2_0_2&
110613
110614 )
110615 e_3_1_2 = zeta*( c1*e_2_0_2 &
110616
110617
110618 )
110619 e_3_0_3 = zetb*( c1*e_2_0_2 &
110620
110621
110622 )
110623 e_0_2_2 = zeta*( &
110624 +c2*e_0_1_2&
110625 +2*e_1_1_2 &
110626 -2*e_0_0_2)
110627 e_0_1_3 = zetb*( &
110628 +c3*e_0_1_2&
110629 +2*e_1_1_2 &
110630 -4*e_0_1_1)
110631 e_1_2_2 = zeta*( c1*e_0_1_2 &
110632 +c2*e_1_1_2&
110633 +4*e_2_1_2 &
110634 -2*e_1_0_2)
110635 e_1_1_3 = zetb*( c1*e_0_1_2 &
110636 +c3*e_1_1_2&
110637 +4*e_2_1_2 &
110638 -4*e_1_1_1)
110639 e_2_2_2 = zeta*( c1*e_1_1_2 &
110640 +c2*e_2_1_2&
110641 +6*e_3_1_2 &
110642 -2*e_2_0_2)
110643 e_2_1_3 = zetb*( c1*e_1_1_2 &
110644 +c3*e_2_1_2&
110645 +6*e_3_1_2 &
110646 -4*e_2_1_1)
110647 e_3_2_2 = zeta*( c1*e_2_1_2 &
110648 +c2*e_3_1_2&
110649
110650 )
110651 e_3_1_3 = zetb*( c1*e_2_1_2 &
110652 +c3*e_3_1_2&
110653
110654 )
110655 e_4_2_2 = zeta*( c1*e_3_1_2 &
110656
110657
110658 )
110659 e_4_1_3 = zetb*( c1*e_3_1_2 &
110660
110661
110662 )
110663 e_0_3_2 = zeta*( &
110664 +c2*e_0_2_2&
110665 +2*e_1_2_2 &
110666 -4*e_0_1_2)
110667 e_0_2_3 = zetb*( &
110668 +c3*e_0_2_2&
110669 +2*e_1_2_2 &
110670 -4*e_0_2_1)
110671 e_1_3_2 = zeta*( c1*e_0_2_2 &
110672 +c2*e_1_2_2&
110673 +4*e_2_2_2 &
110674 -4*e_1_1_2)
110675 e_1_2_3 = zetb*( c1*e_0_2_2 &
110676 +c3*e_1_2_2&
110677 +4*e_2_2_2 &
110678 -4*e_1_2_1)
110679 e_2_3_2 = zeta*( c1*e_1_2_2 &
110680 +c2*e_2_2_2&
110681 +6*e_3_2_2 &
110682 -4*e_2_1_2)
110683 e_2_2_3 = zetb*( c1*e_1_2_2 &
110684 +c3*e_2_2_2&
110685 +6*e_3_2_2 &
110686 -4*e_2_2_1)
110687 e_3_3_2 = zeta*( c1*e_2_2_2 &
110688 +c2*e_3_2_2&
110689 +8*e_4_2_2 &
110690 -4*e_3_1_2)
110691 e_3_2_3 = zetb*( c1*e_2_2_2 &
110692 +c3*e_3_2_2&
110693 +8*e_4_2_2 &
110694 -4*e_3_2_1)
110695 e_4_3_2 = zeta*( c1*e_3_2_2 &
110696 +c2*e_4_2_2&
110697
110698 )
110699 e_4_2_3 = zetb*( c1*e_3_2_2 &
110700 +c3*e_4_2_2&
110701
110702 )
110703 e_5_3_2 = zeta*( c1*e_4_2_2 &
110704
110705
110706 )
110707 e_5_2_3 = zetb*( c1*e_4_2_2 &
110708
110709
110710 )
110711 e_0_4_2 = zeta*( &
110712 +c2*e_0_3_2&
110713 +2*e_1_3_2 &
110714 -6*e_0_2_2)
110715 e_0_3_3 = zetb*( &
110716 +c3*e_0_3_2&
110717 +2*e_1_3_2 &
110718 -4*e_0_3_1)
110719 e_1_4_2 = zeta*( c1*e_0_3_2 &
110720 +c2*e_1_3_2&
110721 +4*e_2_3_2 &
110722 -6*e_1_2_2)
110723 e_1_3_3 = zetb*( c1*e_0_3_2 &
110724 +c3*e_1_3_2&
110725 +4*e_2_3_2 &
110726 -4*e_1_3_1)
110727 e_2_4_2 = zeta*( c1*e_1_3_2 &
110728 +c2*e_2_3_2&
110729 +6*e_3_3_2 &
110730 -6*e_2_2_2)
110731 e_2_3_3 = zetb*( c1*e_1_3_2 &
110732 +c3*e_2_3_2&
110733 +6*e_3_3_2 &
110734 -4*e_2_3_1)
110735 e_3_4_2 = zeta*( c1*e_2_3_2 &
110736 +c2*e_3_3_2&
110737 +8*e_4_3_2 &
110738 -6*e_3_2_2)
110739 e_3_3_3 = zetb*( c1*e_2_3_2 &
110740 +c3*e_3_3_2&
110741 +8*e_4_3_2 &
110742 -4*e_3_3_1)
110743 e_4_4_2 = zeta*( c1*e_3_3_2 &
110744 +c2*e_4_3_2&
110745 +10*e_5_3_2 &
110746 -6*e_4_2_2)
110747 e_4_3_3 = zetb*( c1*e_3_3_2 &
110748 +c3*e_4_3_2&
110749 +10*e_5_3_2 &
110750 -4*e_4_3_1)
110751 e_5_4_2 = zeta*( c1*e_4_3_2 &
110752 +c2*e_5_3_2&
110753
110754 )
110755 e_5_3_3 = zetb*( c1*e_4_3_2 &
110756 +c3*e_5_3_2&
110757
110758 )
110759 e_6_4_2 = zeta*( c1*e_5_3_2 &
110760
110761
110762 )
110763 e_6_3_3 = zetb*( c1*e_5_3_2 &
110764
110765
110766 )
110767 e_0_4_3 = zetb*( &
110768 +c3*e_0_4_2&
110769 +2*e_1_4_2 &
110770 -4*e_0_4_1)
110771 e_1_4_3 = zetb*( c1*e_0_4_2 &
110772 +c3*e_1_4_2&
110773 +4*e_2_4_2 &
110774 -4*e_1_4_1)
110775 e_2_4_3 = zetb*( c1*e_1_4_2 &
110776 +c3*e_2_4_2&
110777 +6*e_3_4_2 &
110778 -4*e_2_4_1)
110779 e_3_4_3 = zetb*( c1*e_2_4_2 &
110780 +c3*e_3_4_2&
110781 +8*e_4_4_2 &
110782 -4*e_3_4_1)
110783 e_4_4_3 = zetb*( c1*e_3_4_2 &
110784 +c3*e_4_4_2&
110785 +10*e_5_4_2 &
110786 -4*e_4_4_1)
110787 e_5_4_3 = zetb*( c1*e_4_4_2 &
110788 +c3*e_5_4_2&
110789 +12*e_6_4_2 &
110790 -4*e_5_4_1)
110791 e_6_4_3 = zetb*( c1*e_5_4_2 &
110792 +c3*e_6_4_2&
110793
110794 )
110795 e_7_4_3 = zetb*( c1*e_6_4_2 &
110796
110797
110798 )
110799 e_0_1_3 = zeta*( &
110800 +c2*e_0_0_3&
110801 +2*e_1_0_3 &
110802 )
110803 e_1_1_3 = zeta*( c1*e_0_0_3 &
110804 +c2*e_1_0_3&
110805 +4*e_2_0_3 &
110806 )
110807 e_2_1_3 = zeta*( c1*e_1_0_3 &
110808 +c2*e_2_0_3&
110809 +6*e_3_0_3 &
110810 )
110811 e_3_1_3 = zeta*( c1*e_2_0_3 &
110812 +c2*e_3_0_3&
110813
110814 )
110815 e_4_1_3 = zeta*( c1*e_3_0_3 &
110816
110817
110818 )
110819 e_0_2_3 = zeta*( &
110820 +c2*e_0_1_3&
110821 +2*e_1_1_3 &
110822 -2*e_0_0_3)
110823 e_1_2_3 = zeta*( c1*e_0_1_3 &
110824 +c2*e_1_1_3&
110825 +4*e_2_1_3 &
110826 -2*e_1_0_3)
110827 e_2_2_3 = zeta*( c1*e_1_1_3 &
110828 +c2*e_2_1_3&
110829 +6*e_3_1_3 &
110830 -2*e_2_0_3)
110831 e_3_2_3 = zeta*( c1*e_2_1_3 &
110832 +c2*e_3_1_3&
110833 +8*e_4_1_3 &
110834 -2*e_3_0_3)
110835 e_4_2_3 = zeta*( c1*e_3_1_3 &
110836 +c2*e_4_1_3&
110837
110838 )
110839 e_5_2_3 = zeta*( c1*e_4_1_3 &
110840
110841
110842 )
110843 e_0_3_3 = zeta*( &
110844 +c2*e_0_2_3&
110845 +2*e_1_2_3 &
110846 -4*e_0_1_3)
110847 e_1_3_3 = zeta*( c1*e_0_2_3 &
110848 +c2*e_1_2_3&
110849 +4*e_2_2_3 &
110850 -4*e_1_1_3)
110851 e_2_3_3 = zeta*( c1*e_1_2_3 &
110852 +c2*e_2_2_3&
110853 +6*e_3_2_3 &
110854 -4*e_2_1_3)
110855 e_3_3_3 = zeta*( c1*e_2_2_3 &
110856 +c2*e_3_2_3&
110857 +8*e_4_2_3 &
110858 -4*e_3_1_3)
110859 e_4_3_3 = zeta*( c1*e_3_2_3 &
110860 +c2*e_4_2_3&
110861 +10*e_5_2_3 &
110862 -4*e_4_1_3)
110863 e_5_3_3 = zeta*( c1*e_4_2_3 &
110864 +c2*e_5_2_3&
110865
110866 )
110867 e_6_3_3 = zeta*( c1*e_5_2_3 &
110868
110869
110870 )
110871 e_0_4_3 = zeta*( &
110872 +c2*e_0_3_3&
110873 +2*e_1_3_3 &
110874 -6*e_0_2_3)
110875 e_1_4_3 = zeta*( c1*e_0_3_3 &
110876 +c2*e_1_3_3&
110877 +4*e_2_3_3 &
110878 -6*e_1_2_3)
110879 e_2_4_3 = zeta*( c1*e_1_3_3 &
110880 +c2*e_2_3_3&
110881 +6*e_3_3_3 &
110882 -6*e_2_2_3)
110883 e_3_4_3 = zeta*( c1*e_2_3_3 &
110884 +c2*e_3_3_3&
110885 +8*e_4_3_3 &
110886 -6*e_3_2_3)
110887 e_4_4_3 = zeta*( c1*e_3_3_3 &
110888 +c2*e_4_3_3&
110889 +10*e_5_3_3 &
110890 -6*e_4_2_3)
110891 e_5_4_3 = zeta*( c1*e_4_3_3 &
110892 +c2*e_5_3_3&
110893 +12*e_6_3_3 &
110894 -6*e_5_2_3)
110895 e_6_4_3 = zeta*( c1*e_5_3_3 &
110896 +c2*e_6_3_3&
110897
110898 )
110899 e_7_4_3 = zeta*( c1*e_6_3_3 &
110900
110901
110902 )
110903
110904 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
110905 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
110906 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
110907 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
110908 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
110909 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
110910 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
110911 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
110912 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
110913 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
110914 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
110915 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
110916 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
110917 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
110918 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
110919 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
110920 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
110921 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
110922 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
110923 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
110924 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
110925 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
110926 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
110927 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
110928 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
110929 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
110930 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
110931 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
110932 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
110933 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
110934 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
110935 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
110936 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
110937 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
110938 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
110939 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
110940 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
110941 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
110942 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
110943 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
110944 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
110945 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
110946 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
110947 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
110948 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
110949 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
110950 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
110951 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
110952 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
110953 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
110954 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
110955 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
110956 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
110957 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
110958 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
110959 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
110960 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
110961 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
110962 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
110963 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
110964 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
110965 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
110966 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
110967 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
110968 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
110969 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
110970 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
110971 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
110972 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
110973 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
110974 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
110975 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
110976 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
110977 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
110978 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
110979 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
110980 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
110981 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
110982 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
110983 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
110984 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
110985 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
110986 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
110987 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
110988 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
110989 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
110990 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
110991 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
110992 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
110993 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
110994 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
110995 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
110996 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
110997 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
110998 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
110999 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
111000 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
111001 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
111002 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
111003 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
111004 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
111005 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
111006 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
111007 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
111008 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
111009 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
111010 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
111011 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
111012 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
111013 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
111014 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
111015 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
111016 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
111017 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
111018 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
111019 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
111020 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
111021 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
111022 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
111023 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
111024 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
111025 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
111026 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
111027 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
111028 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
111029 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
111030 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
111031 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
111032 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
111033 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
111034 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
111035 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
111036 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
111037 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
111038 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
111039 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
111040 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
111041 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
111042 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
111043 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
111044 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
111045 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
111046 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
111047 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
111048 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
111049 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
111050 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
111051 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
111052 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
111053 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
111054 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
111055 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
111056 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
111057 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
111058 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
111059 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
111060 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
111061 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
111062 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
111063 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
111064 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
111065 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
111066 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
111067 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
111068 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
111069 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
111070 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
111071 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
111072 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
111073 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
111074 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
111075 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
111076 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
111077 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
111078 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
111079 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
111080 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
111081 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
111082 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
111083 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
111084 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
111085 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
111086 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
111087 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
111088 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
111089 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
111090 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
111091 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
111092 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
111093 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
111094 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
111095 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
111096 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
111097 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
111098 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
111099 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
111100 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
111101 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
111102 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
111103 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
111104 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
111105 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
111106 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
111107 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
111108 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
111109 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
111110 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
111111 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
111112 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
111113 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
111114 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
111115 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
111116 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
111117 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
111118 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
111119 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
111120 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
111121 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
111122 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
111123 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
111124 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
111125 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
111126 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
111127 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
111128 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
111129 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
111130 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
111131 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
111132 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
111133 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
111134 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
111135 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
111136 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
111137 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
111138 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
111139 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
111140 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
111141 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
111142 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
111143 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
111144 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
111145 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
111146 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
111147 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
111148 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
111149 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
111150 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
111151 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
111152 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
111153 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
111154 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
111155 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
111156 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
111157 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
111158 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
111159 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
111160 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
111161 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
111162 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
111163 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
111164 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
111165 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
111166 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
111167 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
111168 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
111169 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
111170 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
111171 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
111172 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
111173 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
111174 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
111175 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
111176 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
111177 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
111178 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
111179 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
111180 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
111181 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
111182 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
111183 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
111184 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
111185 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
111186 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
111187 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
111188 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
111189 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
111190 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
111191 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
111192 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
111193 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
111194 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
111195 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
111196 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
111197 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
111198 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
111199 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
111200 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
111201 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
111202 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
111203 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
111204 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
111205 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
111206 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
111207 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
111208 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
111209 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
111210 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
111211 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
111212 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
111213 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
111214 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
111215 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
111216 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
111217 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
111218 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
111219 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
111220 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
111221 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
111222 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
111223 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
111224 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
111225 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
111226 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
111227 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
111228 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
111229 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
111230 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
111231 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
111232 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
111233 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
111234 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
111235 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
111236 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
111237 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
111238 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
111239 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
111240 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
111241 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
111242 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
111243 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
111244 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
111245 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
111246 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
111247 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
111248 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
111249 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
111250 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
111251 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
111252 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
111253 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
111254 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
111255 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
111256 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
111257 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
111258 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
111259 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
111260 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
111261 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
111262 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
111263 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
111264 r1 = r1 + dr
111265 END DO
111266
111267 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
111268 END SUBROUTINE
111269 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_4_exp_1 ( &
111270 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
111271 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
111272 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
111273 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
111274 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
111275 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
111276 r_pow_t, r_tmp, rr1_delta, rr2_delta
111277
111278 REAL(kind=dp) :: c1, c2, c3
111279 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
111280 & s_r_t_10, s_r_t_11
111281 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
111282 & s_r_t2_9, s_r_t2_10, s_r_t2_11
111283 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
111284 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
111285 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
111286 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
111287 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
111288 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
111289 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
111290 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
111291 & h_to_c_10_11, h_to_c_11_11
111292 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
111293 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
111294 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
111295 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
111296 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
111297 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
111298 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
111299
111300 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
111301
111302 dr = lgth
111303 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
111304
111305 s_r(:, :, :) = 0.0_dp
111306
111307 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
111308
111309 h_to_c_0_0 = sqrt(alpha/pi)
111310
111311 h_to_c_0_1 = 0.0_dp
111312 h_to_c_1_1 = +2*alpha*h_to_c_0_0
111313 h_to_c_0_2 = -1*h_to_c_1_1
111314 h_to_c_1_2 = +2*alpha*h_to_c_0_1
111315 h_to_c_2_2 = +2*alpha*h_to_c_1_1
111316 h_to_c_0_3 = -1*h_to_c_1_2
111317 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
111318 h_to_c_2_3 = +2*alpha*h_to_c_1_2
111319 h_to_c_3_3 = +2*alpha*h_to_c_2_2
111320 h_to_c_0_4 = -1*h_to_c_1_3
111321 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
111322 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
111323 h_to_c_3_4 = +2*alpha*h_to_c_2_3
111324 h_to_c_4_4 = +2*alpha*h_to_c_3_3
111325 h_to_c_0_5 = -1*h_to_c_1_4
111326 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
111327 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
111328 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
111329 h_to_c_4_5 = +2*alpha*h_to_c_3_4
111330 h_to_c_5_5 = +2*alpha*h_to_c_4_4
111331 h_to_c_0_6 = -1*h_to_c_1_5
111332 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
111333 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
111334 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
111335 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
111336 h_to_c_5_6 = +2*alpha*h_to_c_4_5
111337 h_to_c_6_6 = +2*alpha*h_to_c_5_5
111338 h_to_c_0_7 = -1*h_to_c_1_6
111339 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
111340 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
111341 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
111342 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
111343 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
111344 h_to_c_6_7 = +2*alpha*h_to_c_5_6
111345 h_to_c_7_7 = +2*alpha*h_to_c_6_6
111346 h_to_c_0_8 = -1*h_to_c_1_7
111347 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
111348 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
111349 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
111350 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
111351 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
111352 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
111353 h_to_c_7_8 = +2*alpha*h_to_c_6_7
111354 h_to_c_8_8 = +2*alpha*h_to_c_7_7
111355 h_to_c_0_9 = -1*h_to_c_1_8
111356 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
111357 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
111358 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
111359 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
111360 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
111361 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
111362 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
111363 h_to_c_8_9 = +2*alpha*h_to_c_7_8
111364 h_to_c_9_9 = +2*alpha*h_to_c_8_8
111365 h_to_c_0_10 = -1*h_to_c_1_9
111366 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
111367 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
111368 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
111369 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
111370 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
111371 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
111372 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
111373 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
111374 h_to_c_9_10 = +2*alpha*h_to_c_8_9
111375 h_to_c_10_10 = +2*alpha*h_to_c_9_9
111376 h_to_c_0_11 = -1*h_to_c_1_10
111377 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
111378 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
111379 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
111380 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
111381 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
111382 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
111383 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
111384 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
111385 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
111386 h_to_c_10_11 = +2*alpha*h_to_c_9_10
111387 h_to_c_11_11 = +2*alpha*h_to_c_10_10
111388
111389 exp_drsq = exp(-alpha*dr*dr)
111390 exp_2drsq = exp_drsq*exp_drsq
111391
111392 rr1_delta = (ra - rb)/dr
111393
111394 rr1_l = ceiling(-r_c(1) + rr1_delta)
111395 rr1_r = floor(r_c(1) + rr1_delta)
111396
111397 r1 = rr1_l*dr
111398
111399 alpha_e = zeta*zetb/(zeta + zetb)
111400
111401 DO rr1 = rr1_l, rr1_r
111402 s_r_t_0 = 0.0_dp
111403 s_r_t2_0 = 0.0_dp
111404 s_r_t_1 = 0.0_dp
111405 s_r_t2_1 = 0.0_dp
111406 s_r_t_2 = 0.0_dp
111407 s_r_t2_2 = 0.0_dp
111408 s_r_t_3 = 0.0_dp
111409 s_r_t2_3 = 0.0_dp
111410 s_r_t_4 = 0.0_dp
111411 s_r_t2_4 = 0.0_dp
111412 s_r_t_5 = 0.0_dp
111413 s_r_t2_5 = 0.0_dp
111414 s_r_t_6 = 0.0_dp
111415 s_r_t2_6 = 0.0_dp
111416 s_r_t_7 = 0.0_dp
111417 s_r_t2_7 = 0.0_dp
111418 s_r_t_8 = 0.0_dp
111419 s_r_t2_8 = 0.0_dp
111420 s_r_t_9 = 0.0_dp
111421 s_r_t2_9 = 0.0_dp
111422 s_r_t_10 = 0.0_dp
111423 s_r_t2_10 = 0.0_dp
111424 s_r_t_11 = 0.0_dp
111425 s_r_t2_11 = 0.0_dp
111426 r_tmp = r_offset + r1*zeta/(zeta + zetb)
111427 rr2_delta = -r_tmp/dr
111428
111429 rr2_l = ceiling(-r_c(2) + rr2_delta)
111430 rr2_r = floor(r_c(2) + rr2_delta)
111431
111432 r = r_tmp + (rr2_l)*dr
111433
111434 exp2_2rdr = exp(-2*alpha*r*dr)
111435 exp2_rsq = exp(-alpha*r*r)
111436
111437 DO rr2 = rr2_l, rr2_r
111438 r_pow_t = 1.0_dp
111439 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
111440 r_pow_t = r_pow_t*r
111441 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
111442 r_pow_t = r_pow_t*r
111443 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
111444 r_pow_t = r_pow_t*r
111445 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
111446 r_pow_t = r_pow_t*r
111447 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
111448 r_pow_t = r_pow_t*r
111449 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
111450 r_pow_t = r_pow_t*r
111451 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
111452 r_pow_t = r_pow_t*r
111453 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
111454 r_pow_t = r_pow_t*r
111455 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
111456 r_pow_t = r_pow_t*r
111457 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
111458 r_pow_t = r_pow_t*r
111459 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
111460 r_pow_t = r_pow_t*r
111461 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
111462
111463 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
111464 exp2_2rdr = exp2_2rdr*exp_2drsq
111465 r = r + dr
111466 END DO
111467
111468 ! C --> H
111469 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
111470 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
111471 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
111472 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
111473 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
111474 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
111475 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
111476 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
111477 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
111478 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
111479 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
111480 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
111481 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
111482 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
111483 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
111484 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
111485 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
111486 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
111487 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
111488 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
111489 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
111490 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
111491 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
111492 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
111493 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
111494 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
111495 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
111496 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
111497 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
111498 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
111499 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
111500 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
111501 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
111502 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
111503 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
111504 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
111505 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
111506 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
111507 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
111508 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
111509 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
111510 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
111511 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
111512 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
111513 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
111514 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
111515 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
111516 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
111517 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
111518 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
111519 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
111520 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
111521 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
111522 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
111523 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
111524 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
111525 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
111526 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
111527 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
111528 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
111529 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
111530 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
111531 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
111532 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
111533 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
111534 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
111535 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
111536 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
111537 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
111538 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
111539 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
111540 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
111541 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
111542 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
111543 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
111544 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
111545 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
111546 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
111547
111548 ! H --> HH
111549 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
111550
111551 c1 = 1.0_dp/(zeta + zetb)
111552 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
111553 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
111554
111555 e_0_1_0 = zeta*( &
111556 +c2*e_0_0_0&
111557
111558 )
111559 e_0_0_1 = zetb*( &
111560 +c3*e_0_0_0&
111561
111562 )
111563 e_1_1_0 = zeta*( c1*e_0_0_0 &
111564
111565
111566 )
111567 e_1_0_1 = zetb*( c1*e_0_0_0 &
111568
111569
111570 )
111571 e_0_2_0 = zeta*( &
111572 +c2*e_0_1_0&
111573 +2*e_1_1_0 &
111574 -2*e_0_0_0)
111575 e_0_1_1 = zetb*( &
111576 +c3*e_0_1_0&
111577 +2*e_1_1_0 &
111578 )
111579 e_1_2_0 = zeta*( c1*e_0_1_0 &
111580 +c2*e_1_1_0&
111581
111582 )
111583 e_1_1_1 = zetb*( c1*e_0_1_0 &
111584 +c3*e_1_1_0&
111585
111586 )
111587 e_2_2_0 = zeta*( c1*e_1_1_0 &
111588
111589
111590 )
111591 e_2_1_1 = zetb*( c1*e_1_1_0 &
111592
111593
111594 )
111595 e_0_3_0 = zeta*( &
111596 +c2*e_0_2_0&
111597 +2*e_1_2_0 &
111598 -4*e_0_1_0)
111599 e_0_2_1 = zetb*( &
111600 +c3*e_0_2_0&
111601 +2*e_1_2_0 &
111602 )
111603 e_1_3_0 = zeta*( c1*e_0_2_0 &
111604 +c2*e_1_2_0&
111605 +4*e_2_2_0 &
111606 -4*e_1_1_0)
111607 e_1_2_1 = zetb*( c1*e_0_2_0 &
111608 +c3*e_1_2_0&
111609 +4*e_2_2_0 &
111610 )
111611 e_2_3_0 = zeta*( c1*e_1_2_0 &
111612 +c2*e_2_2_0&
111613
111614 )
111615 e_2_2_1 = zetb*( c1*e_1_2_0 &
111616 +c3*e_2_2_0&
111617
111618 )
111619 e_3_3_0 = zeta*( c1*e_2_2_0 &
111620
111621
111622 )
111623 e_3_2_1 = zetb*( c1*e_2_2_0 &
111624
111625
111626 )
111627 e_0_4_0 = zeta*( &
111628 +c2*e_0_3_0&
111629 +2*e_1_3_0 &
111630 -6*e_0_2_0)
111631 e_0_3_1 = zetb*( &
111632 +c3*e_0_3_0&
111633 +2*e_1_3_0 &
111634 )
111635 e_1_4_0 = zeta*( c1*e_0_3_0 &
111636 +c2*e_1_3_0&
111637 +4*e_2_3_0 &
111638 -6*e_1_2_0)
111639 e_1_3_1 = zetb*( c1*e_0_3_0 &
111640 +c3*e_1_3_0&
111641 +4*e_2_3_0 &
111642 )
111643 e_2_4_0 = zeta*( c1*e_1_3_0 &
111644 +c2*e_2_3_0&
111645 +6*e_3_3_0 &
111646 -6*e_2_2_0)
111647 e_2_3_1 = zetb*( c1*e_1_3_0 &
111648 +c3*e_2_3_0&
111649 +6*e_3_3_0 &
111650 )
111651 e_3_4_0 = zeta*( c1*e_2_3_0 &
111652 +c2*e_3_3_0&
111653
111654 )
111655 e_3_3_1 = zetb*( c1*e_2_3_0 &
111656 +c3*e_3_3_0&
111657
111658 )
111659 e_4_4_0 = zeta*( c1*e_3_3_0 &
111660
111661
111662 )
111663 e_4_3_1 = zetb*( c1*e_3_3_0 &
111664
111665
111666 )
111667 e_0_4_1 = zetb*( &
111668 +c3*e_0_4_0&
111669 +2*e_1_4_0 &
111670 )
111671 e_1_4_1 = zetb*( c1*e_0_4_0 &
111672 +c3*e_1_4_0&
111673 +4*e_2_4_0 &
111674 )
111675 e_2_4_1 = zetb*( c1*e_1_4_0 &
111676 +c3*e_2_4_0&
111677 +6*e_3_4_0 &
111678 )
111679 e_3_4_1 = zetb*( c1*e_2_4_0 &
111680 +c3*e_3_4_0&
111681 +8*e_4_4_0 &
111682 )
111683 e_4_4_1 = zetb*( c1*e_3_4_0 &
111684 +c3*e_4_4_0&
111685
111686 )
111687 e_5_4_1 = zetb*( c1*e_4_4_0 &
111688
111689
111690 )
111691 e_0_1_1 = zeta*( &
111692 +c2*e_0_0_1&
111693 +2*e_1_0_1 &
111694 )
111695 e_0_0_2 = zetb*( &
111696 +c3*e_0_0_1&
111697 +2*e_1_0_1 &
111698 -2*e_0_0_0)
111699 e_1_1_1 = zeta*( c1*e_0_0_1 &
111700 +c2*e_1_0_1&
111701
111702 )
111703 e_1_0_2 = zetb*( c1*e_0_0_1 &
111704 +c3*e_1_0_1&
111705
111706 )
111707 e_2_1_1 = zeta*( c1*e_1_0_1 &
111708
111709
111710 )
111711 e_2_0_2 = zetb*( c1*e_1_0_1 &
111712
111713
111714 )
111715 e_0_2_1 = zeta*( &
111716 +c2*e_0_1_1&
111717 +2*e_1_1_1 &
111718 -2*e_0_0_1)
111719 e_0_1_2 = zetb*( &
111720 +c3*e_0_1_1&
111721 +2*e_1_1_1 &
111722 -2*e_0_1_0)
111723 e_1_2_1 = zeta*( c1*e_0_1_1 &
111724 +c2*e_1_1_1&
111725 +4*e_2_1_1 &
111726 -2*e_1_0_1)
111727 e_1_1_2 = zetb*( c1*e_0_1_1 &
111728 +c3*e_1_1_1&
111729 +4*e_2_1_1 &
111730 -2*e_1_1_0)
111731 e_2_2_1 = zeta*( c1*e_1_1_1 &
111732 +c2*e_2_1_1&
111733
111734 )
111735 e_2_1_2 = zetb*( c1*e_1_1_1 &
111736 +c3*e_2_1_1&
111737
111738 )
111739 e_3_2_1 = zeta*( c1*e_2_1_1 &
111740
111741
111742 )
111743 e_3_1_2 = zetb*( c1*e_2_1_1 &
111744
111745
111746 )
111747 e_0_3_1 = zeta*( &
111748 +c2*e_0_2_1&
111749 +2*e_1_2_1 &
111750 -4*e_0_1_1)
111751 e_0_2_2 = zetb*( &
111752 +c3*e_0_2_1&
111753 +2*e_1_2_1 &
111754 -2*e_0_2_0)
111755 e_1_3_1 = zeta*( c1*e_0_2_1 &
111756 +c2*e_1_2_1&
111757 +4*e_2_2_1 &
111758 -4*e_1_1_1)
111759 e_1_2_2 = zetb*( c1*e_0_2_1 &
111760 +c3*e_1_2_1&
111761 +4*e_2_2_1 &
111762 -2*e_1_2_0)
111763 e_2_3_1 = zeta*( c1*e_1_2_1 &
111764 +c2*e_2_2_1&
111765 +6*e_3_2_1 &
111766 -4*e_2_1_1)
111767 e_2_2_2 = zetb*( c1*e_1_2_1 &
111768 +c3*e_2_2_1&
111769 +6*e_3_2_1 &
111770 -2*e_2_2_0)
111771 e_3_3_1 = zeta*( c1*e_2_2_1 &
111772 +c2*e_3_2_1&
111773
111774 )
111775 e_3_2_2 = zetb*( c1*e_2_2_1 &
111776 +c3*e_3_2_1&
111777
111778 )
111779 e_4_3_1 = zeta*( c1*e_3_2_1 &
111780
111781
111782 )
111783 e_4_2_2 = zetb*( c1*e_3_2_1 &
111784
111785
111786 )
111787 e_0_4_1 = zeta*( &
111788 +c2*e_0_3_1&
111789 +2*e_1_3_1 &
111790 -6*e_0_2_1)
111791 e_0_3_2 = zetb*( &
111792 +c3*e_0_3_1&
111793 +2*e_1_3_1 &
111794 -2*e_0_3_0)
111795 e_1_4_1 = zeta*( c1*e_0_3_1 &
111796 +c2*e_1_3_1&
111797 +4*e_2_3_1 &
111798 -6*e_1_2_1)
111799 e_1_3_2 = zetb*( c1*e_0_3_1 &
111800 +c3*e_1_3_1&
111801 +4*e_2_3_1 &
111802 -2*e_1_3_0)
111803 e_2_4_1 = zeta*( c1*e_1_3_1 &
111804 +c2*e_2_3_1&
111805 +6*e_3_3_1 &
111806 -6*e_2_2_1)
111807 e_2_3_2 = zetb*( c1*e_1_3_1 &
111808 +c3*e_2_3_1&
111809 +6*e_3_3_1 &
111810 -2*e_2_3_0)
111811 e_3_4_1 = zeta*( c1*e_2_3_1 &
111812 +c2*e_3_3_1&
111813 +8*e_4_3_1 &
111814 -6*e_3_2_1)
111815 e_3_3_2 = zetb*( c1*e_2_3_1 &
111816 +c3*e_3_3_1&
111817 +8*e_4_3_1 &
111818 -2*e_3_3_0)
111819 e_4_4_1 = zeta*( c1*e_3_3_1 &
111820 +c2*e_4_3_1&
111821
111822 )
111823 e_4_3_2 = zetb*( c1*e_3_3_1 &
111824 +c3*e_4_3_1&
111825
111826 )
111827 e_5_4_1 = zeta*( c1*e_4_3_1 &
111828
111829
111830 )
111831 e_5_3_2 = zetb*( c1*e_4_3_1 &
111832
111833
111834 )
111835 e_0_4_2 = zetb*( &
111836 +c3*e_0_4_1&
111837 +2*e_1_4_1 &
111838 -2*e_0_4_0)
111839 e_1_4_2 = zetb*( c1*e_0_4_1 &
111840 +c3*e_1_4_1&
111841 +4*e_2_4_1 &
111842 -2*e_1_4_0)
111843 e_2_4_2 = zetb*( c1*e_1_4_1 &
111844 +c3*e_2_4_1&
111845 +6*e_3_4_1 &
111846 -2*e_2_4_0)
111847 e_3_4_2 = zetb*( c1*e_2_4_1 &
111848 +c3*e_3_4_1&
111849 +8*e_4_4_1 &
111850 -2*e_3_4_0)
111851 e_4_4_2 = zetb*( c1*e_3_4_1 &
111852 +c3*e_4_4_1&
111853 +10*e_5_4_1 &
111854 -2*e_4_4_0)
111855 e_5_4_2 = zetb*( c1*e_4_4_1 &
111856 +c3*e_5_4_1&
111857
111858 )
111859 e_6_4_2 = zetb*( c1*e_5_4_1 &
111860
111861
111862 )
111863 e_0_1_2 = zeta*( &
111864 +c2*e_0_0_2&
111865 +2*e_1_0_2 &
111866 )
111867 e_0_0_3 = zetb*( &
111868 +c3*e_0_0_2&
111869 +2*e_1_0_2 &
111870 -4*e_0_0_1)
111871 e_1_1_2 = zeta*( c1*e_0_0_2 &
111872 +c2*e_1_0_2&
111873 +4*e_2_0_2 &
111874 )
111875 e_1_0_3 = zetb*( c1*e_0_0_2 &
111876 +c3*e_1_0_2&
111877 +4*e_2_0_2 &
111878 -4*e_1_0_1)
111879 e_2_1_2 = zeta*( c1*e_1_0_2 &
111880 +c2*e_2_0_2&
111881
111882 )
111883 e_2_0_3 = zetb*( c1*e_1_0_2 &
111884 +c3*e_2_0_2&
111885
111886 )
111887 e_3_1_2 = zeta*( c1*e_2_0_2 &
111888
111889
111890 )
111891 e_3_0_3 = zetb*( c1*e_2_0_2 &
111892
111893
111894 )
111895 e_0_2_2 = zeta*( &
111896 +c2*e_0_1_2&
111897 +2*e_1_1_2 &
111898 -2*e_0_0_2)
111899 e_0_1_3 = zetb*( &
111900 +c3*e_0_1_2&
111901 +2*e_1_1_2 &
111902 -4*e_0_1_1)
111903 e_1_2_2 = zeta*( c1*e_0_1_2 &
111904 +c2*e_1_1_2&
111905 +4*e_2_1_2 &
111906 -2*e_1_0_2)
111907 e_1_1_3 = zetb*( c1*e_0_1_2 &
111908 +c3*e_1_1_2&
111909 +4*e_2_1_2 &
111910 -4*e_1_1_1)
111911 e_2_2_2 = zeta*( c1*e_1_1_2 &
111912 +c2*e_2_1_2&
111913 +6*e_3_1_2 &
111914 -2*e_2_0_2)
111915 e_2_1_3 = zetb*( c1*e_1_1_2 &
111916 +c3*e_2_1_2&
111917 +6*e_3_1_2 &
111918 -4*e_2_1_1)
111919 e_3_2_2 = zeta*( c1*e_2_1_2 &
111920 +c2*e_3_1_2&
111921
111922 )
111923 e_3_1_3 = zetb*( c1*e_2_1_2 &
111924 +c3*e_3_1_2&
111925
111926 )
111927 e_4_2_2 = zeta*( c1*e_3_1_2 &
111928
111929
111930 )
111931 e_4_1_3 = zetb*( c1*e_3_1_2 &
111932
111933
111934 )
111935 e_0_3_2 = zeta*( &
111936 +c2*e_0_2_2&
111937 +2*e_1_2_2 &
111938 -4*e_0_1_2)
111939 e_0_2_3 = zetb*( &
111940 +c3*e_0_2_2&
111941 +2*e_1_2_2 &
111942 -4*e_0_2_1)
111943 e_1_3_2 = zeta*( c1*e_0_2_2 &
111944 +c2*e_1_2_2&
111945 +4*e_2_2_2 &
111946 -4*e_1_1_2)
111947 e_1_2_3 = zetb*( c1*e_0_2_2 &
111948 +c3*e_1_2_2&
111949 +4*e_2_2_2 &
111950 -4*e_1_2_1)
111951 e_2_3_2 = zeta*( c1*e_1_2_2 &
111952 +c2*e_2_2_2&
111953 +6*e_3_2_2 &
111954 -4*e_2_1_2)
111955 e_2_2_3 = zetb*( c1*e_1_2_2 &
111956 +c3*e_2_2_2&
111957 +6*e_3_2_2 &
111958 -4*e_2_2_1)
111959 e_3_3_2 = zeta*( c1*e_2_2_2 &
111960 +c2*e_3_2_2&
111961 +8*e_4_2_2 &
111962 -4*e_3_1_2)
111963 e_3_2_3 = zetb*( c1*e_2_2_2 &
111964 +c3*e_3_2_2&
111965 +8*e_4_2_2 &
111966 -4*e_3_2_1)
111967 e_4_3_2 = zeta*( c1*e_3_2_2 &
111968 +c2*e_4_2_2&
111969
111970 )
111971 e_4_2_3 = zetb*( c1*e_3_2_2 &
111972 +c3*e_4_2_2&
111973
111974 )
111975 e_5_3_2 = zeta*( c1*e_4_2_2 &
111976
111977
111978 )
111979 e_5_2_3 = zetb*( c1*e_4_2_2 &
111980
111981
111982 )
111983 e_0_4_2 = zeta*( &
111984 +c2*e_0_3_2&
111985 +2*e_1_3_2 &
111986 -6*e_0_2_2)
111987 e_0_3_3 = zetb*( &
111988 +c3*e_0_3_2&
111989 +2*e_1_3_2 &
111990 -4*e_0_3_1)
111991 e_1_4_2 = zeta*( c1*e_0_3_2 &
111992 +c2*e_1_3_2&
111993 +4*e_2_3_2 &
111994 -6*e_1_2_2)
111995 e_1_3_3 = zetb*( c1*e_0_3_2 &
111996 +c3*e_1_3_2&
111997 +4*e_2_3_2 &
111998 -4*e_1_3_1)
111999 e_2_4_2 = zeta*( c1*e_1_3_2 &
112000 +c2*e_2_3_2&
112001 +6*e_3_3_2 &
112002 -6*e_2_2_2)
112003 e_2_3_3 = zetb*( c1*e_1_3_2 &
112004 +c3*e_2_3_2&
112005 +6*e_3_3_2 &
112006 -4*e_2_3_1)
112007 e_3_4_2 = zeta*( c1*e_2_3_2 &
112008 +c2*e_3_3_2&
112009 +8*e_4_3_2 &
112010 -6*e_3_2_2)
112011 e_3_3_3 = zetb*( c1*e_2_3_2 &
112012 +c3*e_3_3_2&
112013 +8*e_4_3_2 &
112014 -4*e_3_3_1)
112015 e_4_4_2 = zeta*( c1*e_3_3_2 &
112016 +c2*e_4_3_2&
112017 +10*e_5_3_2 &
112018 -6*e_4_2_2)
112019 e_4_3_3 = zetb*( c1*e_3_3_2 &
112020 +c3*e_4_3_2&
112021 +10*e_5_3_2 &
112022 -4*e_4_3_1)
112023 e_5_4_2 = zeta*( c1*e_4_3_2 &
112024 +c2*e_5_3_2&
112025
112026 )
112027 e_5_3_3 = zetb*( c1*e_4_3_2 &
112028 +c3*e_5_3_2&
112029
112030 )
112031 e_6_4_2 = zeta*( c1*e_5_3_2 &
112032
112033
112034 )
112035 e_6_3_3 = zetb*( c1*e_5_3_2 &
112036
112037
112038 )
112039 e_0_4_3 = zetb*( &
112040 +c3*e_0_4_2&
112041 +2*e_1_4_2 &
112042 -4*e_0_4_1)
112043 e_1_4_3 = zetb*( c1*e_0_4_2 &
112044 +c3*e_1_4_2&
112045 +4*e_2_4_2 &
112046 -4*e_1_4_1)
112047 e_2_4_3 = zetb*( c1*e_1_4_2 &
112048 +c3*e_2_4_2&
112049 +6*e_3_4_2 &
112050 -4*e_2_4_1)
112051 e_3_4_3 = zetb*( c1*e_2_4_2 &
112052 +c3*e_3_4_2&
112053 +8*e_4_4_2 &
112054 -4*e_3_4_1)
112055 e_4_4_3 = zetb*( c1*e_3_4_2 &
112056 +c3*e_4_4_2&
112057 +10*e_5_4_2 &
112058 -4*e_4_4_1)
112059 e_5_4_3 = zetb*( c1*e_4_4_2 &
112060 +c3*e_5_4_2&
112061 +12*e_6_4_2 &
112062 -4*e_5_4_1)
112063 e_6_4_3 = zetb*( c1*e_5_4_2 &
112064 +c3*e_6_4_2&
112065
112066 )
112067 e_7_4_3 = zetb*( c1*e_6_4_2 &
112068
112069
112070 )
112071 e_0_1_3 = zeta*( &
112072 +c2*e_0_0_3&
112073 +2*e_1_0_3 &
112074 )
112075 e_1_1_3 = zeta*( c1*e_0_0_3 &
112076 +c2*e_1_0_3&
112077 +4*e_2_0_3 &
112078 )
112079 e_2_1_3 = zeta*( c1*e_1_0_3 &
112080 +c2*e_2_0_3&
112081 +6*e_3_0_3 &
112082 )
112083 e_3_1_3 = zeta*( c1*e_2_0_3 &
112084 +c2*e_3_0_3&
112085
112086 )
112087 e_4_1_3 = zeta*( c1*e_3_0_3 &
112088
112089
112090 )
112091 e_0_2_3 = zeta*( &
112092 +c2*e_0_1_3&
112093 +2*e_1_1_3 &
112094 -2*e_0_0_3)
112095 e_1_2_3 = zeta*( c1*e_0_1_3 &
112096 +c2*e_1_1_3&
112097 +4*e_2_1_3 &
112098 -2*e_1_0_3)
112099 e_2_2_3 = zeta*( c1*e_1_1_3 &
112100 +c2*e_2_1_3&
112101 +6*e_3_1_3 &
112102 -2*e_2_0_3)
112103 e_3_2_3 = zeta*( c1*e_2_1_3 &
112104 +c2*e_3_1_3&
112105 +8*e_4_1_3 &
112106 -2*e_3_0_3)
112107 e_4_2_3 = zeta*( c1*e_3_1_3 &
112108 +c2*e_4_1_3&
112109
112110 )
112111 e_5_2_3 = zeta*( c1*e_4_1_3 &
112112
112113
112114 )
112115 e_0_3_3 = zeta*( &
112116 +c2*e_0_2_3&
112117 +2*e_1_2_3 &
112118 -4*e_0_1_3)
112119 e_1_3_3 = zeta*( c1*e_0_2_3 &
112120 +c2*e_1_2_3&
112121 +4*e_2_2_3 &
112122 -4*e_1_1_3)
112123 e_2_3_3 = zeta*( c1*e_1_2_3 &
112124 +c2*e_2_2_3&
112125 +6*e_3_2_3 &
112126 -4*e_2_1_3)
112127 e_3_3_3 = zeta*( c1*e_2_2_3 &
112128 +c2*e_3_2_3&
112129 +8*e_4_2_3 &
112130 -4*e_3_1_3)
112131 e_4_3_3 = zeta*( c1*e_3_2_3 &
112132 +c2*e_4_2_3&
112133 +10*e_5_2_3 &
112134 -4*e_4_1_3)
112135 e_5_3_3 = zeta*( c1*e_4_2_3 &
112136 +c2*e_5_2_3&
112137
112138 )
112139 e_6_3_3 = zeta*( c1*e_5_2_3 &
112140
112141
112142 )
112143 e_0_4_3 = zeta*( &
112144 +c2*e_0_3_3&
112145 +2*e_1_3_3 &
112146 -6*e_0_2_3)
112147 e_1_4_3 = zeta*( c1*e_0_3_3 &
112148 +c2*e_1_3_3&
112149 +4*e_2_3_3 &
112150 -6*e_1_2_3)
112151 e_2_4_3 = zeta*( c1*e_1_3_3 &
112152 +c2*e_2_3_3&
112153 +6*e_3_3_3 &
112154 -6*e_2_2_3)
112155 e_3_4_3 = zeta*( c1*e_2_3_3 &
112156 +c2*e_3_3_3&
112157 +8*e_4_3_3 &
112158 -6*e_3_2_3)
112159 e_4_4_3 = zeta*( c1*e_3_3_3 &
112160 +c2*e_4_3_3&
112161 +10*e_5_3_3 &
112162 -6*e_4_2_3)
112163 e_5_4_3 = zeta*( c1*e_4_3_3 &
112164 +c2*e_5_3_3&
112165 +12*e_6_3_3 &
112166 -6*e_5_2_3)
112167 e_6_4_3 = zeta*( c1*e_5_3_3 &
112168 +c2*e_6_3_3&
112169
112170 )
112171 e_7_4_3 = zeta*( c1*e_6_3_3 &
112172
112173
112174 )
112175
112176 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
112177 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
112178 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
112179 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
112180 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
112181 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
112182 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
112183 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
112184 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
112185 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
112186 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
112187 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
112188 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
112189 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
112190 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112191 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
112192 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
112193 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
112194 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
112195 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
112196 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
112197 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
112198 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
112199 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
112200 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
112201 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
112202 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
112203 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
112204 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112205 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
112206 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
112207 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
112208 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
112209 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112210 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112211 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
112212 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
112213 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
112214 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
112215 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
112216 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
112217 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
112218 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
112219 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
112220 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
112221 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
112222 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112223 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
112224 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
112225 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
112226 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
112227 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112228 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112229 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
112230 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
112231 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
112232 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
112233 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112234 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112235 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112236 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
112237 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
112238 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
112239 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
112240 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
112241 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
112242 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
112243 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
112244 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112245 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
112246 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
112247 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
112248 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
112249 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112250 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112251 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
112252 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
112253 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
112254 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
112255 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112256 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112257 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112258 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
112259 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
112260 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
112261 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
112262 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112263 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112264 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112265 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112266 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
112267 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
112268 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
112269 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
112270 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
112271 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
112272 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
112273 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
112274 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
112275 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
112276 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
112277 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
112278 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
112279 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
112280 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
112281 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
112282 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
112283 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
112284 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
112285 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
112286 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
112287 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
112288 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
112289 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
112290 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
112291 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
112292 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
112293 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
112294 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
112295 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
112296 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
112297 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
112298 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
112299 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
112300 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
112301 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
112302 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
112303 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
112304 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
112305 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
112306 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
112307 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
112308 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
112309 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
112310 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
112311 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
112312 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
112313 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
112314 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
112315 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
112316 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
112317 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
112318 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
112319 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
112320 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
112321 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
112322 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
112323 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
112324 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
112325 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
112326 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
112327 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
112328 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
112329 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
112330 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
112331 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
112332 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
112333 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
112334 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
112335 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
112336 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
112337 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
112338 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
112339 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
112340 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
112341 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
112342 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
112343 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
112344 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
112345 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
112346 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
112347 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
112348 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
112349 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
112350 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
112351 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
112352 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
112353 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
112354 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
112355 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
112356 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
112357 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
112358 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
112359 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
112360 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
112361 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
112362 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
112363 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
112364 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
112365 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
112366 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
112367 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
112368 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112369 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
112370 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
112371 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
112372 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
112373 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
112374 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
112375 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
112376 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
112377 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
112378 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
112379 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
112380 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
112381 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
112382 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112383 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
112384 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
112385 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
112386 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
112387 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112388 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112389 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
112390 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
112391 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
112392 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
112393 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
112394 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
112395 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
112396 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
112397 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
112398 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
112399 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
112400 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112401 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
112402 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
112403 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
112404 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
112405 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112406 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112407 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
112408 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
112409 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
112410 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
112411 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112412 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112413 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112414 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
112415 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
112416 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
112417 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
112418 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
112419 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
112420 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
112421 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
112422 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112423 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
112424 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
112425 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
112426 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
112427 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112428 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112429 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
112430 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
112431 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
112432 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
112433 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112434 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112435 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112436 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
112437 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
112438 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
112439 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
112440 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112441 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112442 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112443 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112444 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
112445 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
112446 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
112447 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
112448 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
112449 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
112450 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
112451 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
112452 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
112453 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
112454 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
112455 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
112456 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
112457 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
112458 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
112459 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
112460 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
112461 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
112462 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
112463 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
112464 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
112465 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
112466 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
112467 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
112468 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
112469 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
112470 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
112471 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
112472 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
112473 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
112474 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
112475 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
112476 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
112477 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
112478 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
112479 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
112480 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
112481 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
112482 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
112483 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
112484 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
112485 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
112486 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
112487 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
112488 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
112489 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
112490 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
112491 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
112492 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
112493 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
112494 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
112495 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
112496 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
112497 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
112498 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
112499 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
112500 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
112501 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
112502 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
112503 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
112504 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
112505 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
112506 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
112507 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
112508 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
112509 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
112510 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
112511 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
112512 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
112513 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
112514 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
112515 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
112516 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
112517 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
112518 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
112519 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
112520 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
112521 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
112522 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
112523 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
112524 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
112525 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
112526 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
112527 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
112528 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
112529 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
112530 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
112531 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
112532 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
112533 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
112534 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
112535 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
112536 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
112537 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
112538 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
112539 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
112540 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
112541 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
112542 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
112543 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
112544 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
112545 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
112546 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112547 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
112548 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
112549 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
112550 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
112551 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
112552 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
112553 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
112554 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
112555 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
112556 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
112557 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
112558 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
112559 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
112560 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112561 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
112562 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
112563 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
112564 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
112565 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112566 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112567 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
112568 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
112569 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
112570 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
112571 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
112572 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
112573 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
112574 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
112575 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
112576 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
112577 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
112578 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112579 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
112580 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
112581 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
112582 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
112583 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112584 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112585 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
112586 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
112587 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
112588 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
112589 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112590 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112591 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112592 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
112593 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
112594 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
112595 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
112596 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
112597 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
112598 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
112599 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
112600 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112601 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
112602 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
112603 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
112604 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
112605 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112606 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112607 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
112608 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
112609 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
112610 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
112611 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112612 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112613 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112614 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
112615 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
112616 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
112617 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
112618 s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112619 s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112620 s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112621 s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112622 s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
112623 s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
112624 s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
112625 s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
112626 r1 = r1 + dr
112627 END DO
112628
112629 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
112630 END SUBROUTINE
112631 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_0_exp_1 ( &
112632 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
112633 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
112634 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
112635 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
112636 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
112637 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
112638 r_pow_t, r_tmp, rr1_delta, rr2_delta
112639
112640 REAL(kind=dp) :: c1, c2, c3
112641 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
112642 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
112643 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
112644 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
112645 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
112646 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
112647 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
112648 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
112649 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
112650 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
112651 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
112652 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
112653 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
112654 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
112655 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
112656 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
112657 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
112658
112659 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
112660
112661 dr = lgth
112662 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
112663
112664 s_r(:, :, :) = 0.0_dp
112665
112666 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
112667
112668 h_to_c_0_0 = sqrt(alpha/pi)
112669
112670 h_to_c_0_1 = 0.0_dp
112671 h_to_c_1_1 = +2*alpha*h_to_c_0_0
112672 h_to_c_0_2 = -1*h_to_c_1_1
112673 h_to_c_1_2 = +2*alpha*h_to_c_0_1
112674 h_to_c_2_2 = +2*alpha*h_to_c_1_1
112675 h_to_c_0_3 = -1*h_to_c_1_2
112676 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
112677 h_to_c_2_3 = +2*alpha*h_to_c_1_2
112678 h_to_c_3_3 = +2*alpha*h_to_c_2_2
112679 h_to_c_0_4 = -1*h_to_c_1_3
112680 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
112681 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
112682 h_to_c_3_4 = +2*alpha*h_to_c_2_3
112683 h_to_c_4_4 = +2*alpha*h_to_c_3_3
112684 h_to_c_0_5 = -1*h_to_c_1_4
112685 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
112686 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
112687 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
112688 h_to_c_4_5 = +2*alpha*h_to_c_3_4
112689 h_to_c_5_5 = +2*alpha*h_to_c_4_4
112690 h_to_c_0_6 = -1*h_to_c_1_5
112691 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
112692 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
112693 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
112694 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
112695 h_to_c_5_6 = +2*alpha*h_to_c_4_5
112696 h_to_c_6_6 = +2*alpha*h_to_c_5_5
112697 h_to_c_0_7 = -1*h_to_c_1_6
112698 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
112699 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
112700 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
112701 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
112702 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
112703 h_to_c_6_7 = +2*alpha*h_to_c_5_6
112704 h_to_c_7_7 = +2*alpha*h_to_c_6_6
112705 h_to_c_0_8 = -1*h_to_c_1_7
112706 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
112707 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
112708 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
112709 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
112710 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
112711 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
112712 h_to_c_7_8 = +2*alpha*h_to_c_6_7
112713 h_to_c_8_8 = +2*alpha*h_to_c_7_7
112714
112715 exp_drsq = exp(-alpha*dr*dr)
112716 exp_2drsq = exp_drsq*exp_drsq
112717
112718 rr1_delta = (ra - rb)/dr
112719
112720 rr1_l = ceiling(-r_c(1) + rr1_delta)
112721 rr1_r = floor(r_c(1) + rr1_delta)
112722
112723 r1 = rr1_l*dr
112724
112725 alpha_e = zeta*zetb/(zeta + zetb)
112726
112727 DO rr1 = rr1_l, rr1_r
112728 s_r_t_0 = 0.0_dp
112729 s_r_t2_0 = 0.0_dp
112730 s_r_t_1 = 0.0_dp
112731 s_r_t2_1 = 0.0_dp
112732 s_r_t_2 = 0.0_dp
112733 s_r_t2_2 = 0.0_dp
112734 s_r_t_3 = 0.0_dp
112735 s_r_t2_3 = 0.0_dp
112736 s_r_t_4 = 0.0_dp
112737 s_r_t2_4 = 0.0_dp
112738 s_r_t_5 = 0.0_dp
112739 s_r_t2_5 = 0.0_dp
112740 s_r_t_6 = 0.0_dp
112741 s_r_t2_6 = 0.0_dp
112742 s_r_t_7 = 0.0_dp
112743 s_r_t2_7 = 0.0_dp
112744 s_r_t_8 = 0.0_dp
112745 s_r_t2_8 = 0.0_dp
112746 r_tmp = r_offset + r1*zeta/(zeta + zetb)
112747 rr2_delta = -r_tmp/dr
112748
112749 rr2_l = ceiling(-r_c(2) + rr2_delta)
112750 rr2_r = floor(r_c(2) + rr2_delta)
112751
112752 r = r_tmp + (rr2_l)*dr
112753
112754 exp2_2rdr = exp(-2*alpha*r*dr)
112755 exp2_rsq = exp(-alpha*r*r)
112756
112757 DO rr2 = rr2_l, rr2_r
112758 r_pow_t = 1.0_dp
112759 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
112760 r_pow_t = r_pow_t*r
112761 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
112762 r_pow_t = r_pow_t*r
112763 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
112764 r_pow_t = r_pow_t*r
112765 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
112766 r_pow_t = r_pow_t*r
112767 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
112768 r_pow_t = r_pow_t*r
112769 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
112770 r_pow_t = r_pow_t*r
112771 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
112772 r_pow_t = r_pow_t*r
112773 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
112774 r_pow_t = r_pow_t*r
112775 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
112776
112777 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
112778 exp2_2rdr = exp2_2rdr*exp_2drsq
112779 r = r + dr
112780 END DO
112781
112782 ! C --> H
112783 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
112784 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
112785 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
112786 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
112787 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
112788 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
112789 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
112790 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
112791 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
112792 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
112793 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
112794 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
112795 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
112796 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
112797 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
112798 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
112799 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
112800 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
112801 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
112802 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
112803 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
112804 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
112805 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
112806 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
112807 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
112808 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
112809 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
112810 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
112811 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
112812 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
112813 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
112814 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
112815 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
112816 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
112817 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
112818 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
112819 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
112820 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
112821 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
112822 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
112823 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
112824 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
112825 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
112826 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
112827 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
112828
112829 ! H --> HH
112830 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
112831
112832 c1 = 1.0_dp/(zeta + zetb)
112833 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
112834 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
112835
112836 e_0_1_0 = zeta*( &
112837 +c2*e_0_0_0&
112838
112839 )
112840 e_0_0_1 = zetb*( &
112841 +c3*e_0_0_0&
112842
112843 )
112844 e_1_1_0 = zeta*( c1*e_0_0_0 &
112845
112846
112847 )
112848 e_1_0_1 = zetb*( c1*e_0_0_0 &
112849
112850
112851 )
112852 e_0_2_0 = zeta*( &
112853 +c2*e_0_1_0&
112854 +2*e_1_1_0 &
112855 -2*e_0_0_0)
112856 e_0_1_1 = zetb*( &
112857 +c3*e_0_1_0&
112858 +2*e_1_1_0 &
112859 )
112860 e_1_2_0 = zeta*( c1*e_0_1_0 &
112861 +c2*e_1_1_0&
112862
112863 )
112864 e_1_1_1 = zetb*( c1*e_0_1_0 &
112865 +c3*e_1_1_0&
112866
112867 )
112868 e_2_2_0 = zeta*( c1*e_1_1_0 &
112869
112870
112871 )
112872 e_2_1_1 = zetb*( c1*e_1_1_0 &
112873
112874
112875 )
112876 e_0_3_0 = zeta*( &
112877 +c2*e_0_2_0&
112878 +2*e_1_2_0 &
112879 -4*e_0_1_0)
112880 e_0_2_1 = zetb*( &
112881 +c3*e_0_2_0&
112882 +2*e_1_2_0 &
112883 )
112884 e_1_3_0 = zeta*( c1*e_0_2_0 &
112885 +c2*e_1_2_0&
112886 +4*e_2_2_0 &
112887 -4*e_1_1_0)
112888 e_1_2_1 = zetb*( c1*e_0_2_0 &
112889 +c3*e_1_2_0&
112890 +4*e_2_2_0 &
112891 )
112892 e_2_3_0 = zeta*( c1*e_1_2_0 &
112893 +c2*e_2_2_0&
112894
112895 )
112896 e_2_2_1 = zetb*( c1*e_1_2_0 &
112897 +c3*e_2_2_0&
112898
112899 )
112900 e_3_3_0 = zeta*( c1*e_2_2_0 &
112901
112902
112903 )
112904 e_3_2_1 = zetb*( c1*e_2_2_0 &
112905
112906
112907 )
112908 e_0_4_0 = zeta*( &
112909 +c2*e_0_3_0&
112910 +2*e_1_3_0 &
112911 -6*e_0_2_0)
112912 e_0_3_1 = zetb*( &
112913 +c3*e_0_3_0&
112914 +2*e_1_3_0 &
112915 )
112916 e_1_4_0 = zeta*( c1*e_0_3_0 &
112917 +c2*e_1_3_0&
112918 +4*e_2_3_0 &
112919 -6*e_1_2_0)
112920 e_1_3_1 = zetb*( c1*e_0_3_0 &
112921 +c3*e_1_3_0&
112922 +4*e_2_3_0 &
112923 )
112924 e_2_4_0 = zeta*( c1*e_1_3_0 &
112925 +c2*e_2_3_0&
112926 +6*e_3_3_0 &
112927 -6*e_2_2_0)
112928 e_2_3_1 = zetb*( c1*e_1_3_0 &
112929 +c3*e_2_3_0&
112930 +6*e_3_3_0 &
112931 )
112932 e_3_4_0 = zeta*( c1*e_2_3_0 &
112933 +c2*e_3_3_0&
112934
112935 )
112936 e_3_3_1 = zetb*( c1*e_2_3_0 &
112937 +c3*e_3_3_0&
112938
112939 )
112940 e_4_4_0 = zeta*( c1*e_3_3_0 &
112941
112942
112943 )
112944 e_4_3_1 = zetb*( c1*e_3_3_0 &
112945
112946
112947 )
112948 e_0_4_1 = zetb*( &
112949 +c3*e_0_4_0&
112950 +2*e_1_4_0 &
112951 )
112952 e_1_4_1 = zetb*( c1*e_0_4_0 &
112953 +c3*e_1_4_0&
112954 +4*e_2_4_0 &
112955 )
112956 e_2_4_1 = zetb*( c1*e_1_4_0 &
112957 +c3*e_2_4_0&
112958 +6*e_3_4_0 &
112959 )
112960 e_3_4_1 = zetb*( c1*e_2_4_0 &
112961 +c3*e_3_4_0&
112962 +8*e_4_4_0 &
112963 )
112964 e_4_4_1 = zetb*( c1*e_3_4_0 &
112965 +c3*e_4_4_0&
112966
112967 )
112968 e_5_4_1 = zetb*( c1*e_4_4_0 &
112969
112970
112971 )
112972 e_0_1_1 = zeta*( &
112973 +c2*e_0_0_1&
112974 +2*e_1_0_1 &
112975 )
112976 e_0_0_2 = zetb*( &
112977 +c3*e_0_0_1&
112978 +2*e_1_0_1 &
112979 -2*e_0_0_0)
112980 e_1_1_1 = zeta*( c1*e_0_0_1 &
112981 +c2*e_1_0_1&
112982
112983 )
112984 e_1_0_2 = zetb*( c1*e_0_0_1 &
112985 +c3*e_1_0_1&
112986
112987 )
112988 e_2_1_1 = zeta*( c1*e_1_0_1 &
112989
112990
112991 )
112992 e_2_0_2 = zetb*( c1*e_1_0_1 &
112993
112994
112995 )
112996 e_0_2_1 = zeta*( &
112997 +c2*e_0_1_1&
112998 +2*e_1_1_1 &
112999 -2*e_0_0_1)
113000 e_0_1_2 = zetb*( &
113001 +c3*e_0_1_1&
113002 +2*e_1_1_1 &
113003 -2*e_0_1_0)
113004 e_1_2_1 = zeta*( c1*e_0_1_1 &
113005 +c2*e_1_1_1&
113006 +4*e_2_1_1 &
113007 -2*e_1_0_1)
113008 e_1_1_2 = zetb*( c1*e_0_1_1 &
113009 +c3*e_1_1_1&
113010 +4*e_2_1_1 &
113011 -2*e_1_1_0)
113012 e_2_2_1 = zeta*( c1*e_1_1_1 &
113013 +c2*e_2_1_1&
113014
113015 )
113016 e_2_1_2 = zetb*( c1*e_1_1_1 &
113017 +c3*e_2_1_1&
113018
113019 )
113020 e_3_2_1 = zeta*( c1*e_2_1_1 &
113021
113022
113023 )
113024 e_3_1_2 = zetb*( c1*e_2_1_1 &
113025
113026
113027 )
113028 e_0_3_1 = zeta*( &
113029 +c2*e_0_2_1&
113030 +2*e_1_2_1 &
113031 -4*e_0_1_1)
113032 e_0_2_2 = zetb*( &
113033 +c3*e_0_2_1&
113034 +2*e_1_2_1 &
113035 -2*e_0_2_0)
113036 e_1_3_1 = zeta*( c1*e_0_2_1 &
113037 +c2*e_1_2_1&
113038 +4*e_2_2_1 &
113039 -4*e_1_1_1)
113040 e_1_2_2 = zetb*( c1*e_0_2_1 &
113041 +c3*e_1_2_1&
113042 +4*e_2_2_1 &
113043 -2*e_1_2_0)
113044 e_2_3_1 = zeta*( c1*e_1_2_1 &
113045 +c2*e_2_2_1&
113046 +6*e_3_2_1 &
113047 -4*e_2_1_1)
113048 e_2_2_2 = zetb*( c1*e_1_2_1 &
113049 +c3*e_2_2_1&
113050 +6*e_3_2_1 &
113051 -2*e_2_2_0)
113052 e_3_3_1 = zeta*( c1*e_2_2_1 &
113053 +c2*e_3_2_1&
113054
113055 )
113056 e_3_2_2 = zetb*( c1*e_2_2_1 &
113057 +c3*e_3_2_1&
113058
113059 )
113060 e_4_3_1 = zeta*( c1*e_3_2_1 &
113061
113062
113063 )
113064 e_4_2_2 = zetb*( c1*e_3_2_1 &
113065
113066
113067 )
113068 e_0_4_1 = zeta*( &
113069 +c2*e_0_3_1&
113070 +2*e_1_3_1 &
113071 -6*e_0_2_1)
113072 e_0_3_2 = zetb*( &
113073 +c3*e_0_3_1&
113074 +2*e_1_3_1 &
113075 -2*e_0_3_0)
113076 e_1_4_1 = zeta*( c1*e_0_3_1 &
113077 +c2*e_1_3_1&
113078 +4*e_2_3_1 &
113079 -6*e_1_2_1)
113080 e_1_3_2 = zetb*( c1*e_0_3_1 &
113081 +c3*e_1_3_1&
113082 +4*e_2_3_1 &
113083 -2*e_1_3_0)
113084 e_2_4_1 = zeta*( c1*e_1_3_1 &
113085 +c2*e_2_3_1&
113086 +6*e_3_3_1 &
113087 -6*e_2_2_1)
113088 e_2_3_2 = zetb*( c1*e_1_3_1 &
113089 +c3*e_2_3_1&
113090 +6*e_3_3_1 &
113091 -2*e_2_3_0)
113092 e_3_4_1 = zeta*( c1*e_2_3_1 &
113093 +c2*e_3_3_1&
113094 +8*e_4_3_1 &
113095 -6*e_3_2_1)
113096 e_3_3_2 = zetb*( c1*e_2_3_1 &
113097 +c3*e_3_3_1&
113098 +8*e_4_3_1 &
113099 -2*e_3_3_0)
113100 e_4_4_1 = zeta*( c1*e_3_3_1 &
113101 +c2*e_4_3_1&
113102
113103 )
113104 e_4_3_2 = zetb*( c1*e_3_3_1 &
113105 +c3*e_4_3_1&
113106
113107 )
113108 e_5_4_1 = zeta*( c1*e_4_3_1 &
113109
113110
113111 )
113112 e_5_3_2 = zetb*( c1*e_4_3_1 &
113113
113114
113115 )
113116 e_0_4_2 = zetb*( &
113117 +c3*e_0_4_1&
113118 +2*e_1_4_1 &
113119 -2*e_0_4_0)
113120 e_1_4_2 = zetb*( c1*e_0_4_1 &
113121 +c3*e_1_4_1&
113122 +4*e_2_4_1 &
113123 -2*e_1_4_0)
113124 e_2_4_2 = zetb*( c1*e_1_4_1 &
113125 +c3*e_2_4_1&
113126 +6*e_3_4_1 &
113127 -2*e_2_4_0)
113128 e_3_4_2 = zetb*( c1*e_2_4_1 &
113129 +c3*e_3_4_1&
113130 +8*e_4_4_1 &
113131 -2*e_3_4_0)
113132 e_4_4_2 = zetb*( c1*e_3_4_1 &
113133 +c3*e_4_4_1&
113134 +10*e_5_4_1 &
113135 -2*e_4_4_0)
113136 e_5_4_2 = zetb*( c1*e_4_4_1 &
113137 +c3*e_5_4_1&
113138
113139 )
113140 e_6_4_2 = zetb*( c1*e_5_4_1 &
113141
113142
113143 )
113144 e_0_1_2 = zeta*( &
113145 +c2*e_0_0_2&
113146 +2*e_1_0_2 &
113147 )
113148 e_0_0_3 = zetb*( &
113149 +c3*e_0_0_2&
113150 +2*e_1_0_2 &
113151 -4*e_0_0_1)
113152 e_1_1_2 = zeta*( c1*e_0_0_2 &
113153 +c2*e_1_0_2&
113154 +4*e_2_0_2 &
113155 )
113156 e_1_0_3 = zetb*( c1*e_0_0_2 &
113157 +c3*e_1_0_2&
113158 +4*e_2_0_2 &
113159 -4*e_1_0_1)
113160 e_2_1_2 = zeta*( c1*e_1_0_2 &
113161 +c2*e_2_0_2&
113162
113163 )
113164 e_2_0_3 = zetb*( c1*e_1_0_2 &
113165 +c3*e_2_0_2&
113166
113167 )
113168 e_3_1_2 = zeta*( c1*e_2_0_2 &
113169
113170
113171 )
113172 e_3_0_3 = zetb*( c1*e_2_0_2 &
113173
113174
113175 )
113176 e_0_2_2 = zeta*( &
113177 +c2*e_0_1_2&
113178 +2*e_1_1_2 &
113179 -2*e_0_0_2)
113180 e_0_1_3 = zetb*( &
113181 +c3*e_0_1_2&
113182 +2*e_1_1_2 &
113183 -4*e_0_1_1)
113184 e_1_2_2 = zeta*( c1*e_0_1_2 &
113185 +c2*e_1_1_2&
113186 +4*e_2_1_2 &
113187 -2*e_1_0_2)
113188 e_1_1_3 = zetb*( c1*e_0_1_2 &
113189 +c3*e_1_1_2&
113190 +4*e_2_1_2 &
113191 -4*e_1_1_1)
113192 e_2_2_2 = zeta*( c1*e_1_1_2 &
113193 +c2*e_2_1_2&
113194 +6*e_3_1_2 &
113195 -2*e_2_0_2)
113196 e_2_1_3 = zetb*( c1*e_1_1_2 &
113197 +c3*e_2_1_2&
113198 +6*e_3_1_2 &
113199 -4*e_2_1_1)
113200 e_3_2_2 = zeta*( c1*e_2_1_2 &
113201 +c2*e_3_1_2&
113202
113203 )
113204 e_3_1_3 = zetb*( c1*e_2_1_2 &
113205 +c3*e_3_1_2&
113206
113207 )
113208 e_4_2_2 = zeta*( c1*e_3_1_2 &
113209
113210
113211 )
113212 e_4_1_3 = zetb*( c1*e_3_1_2 &
113213
113214
113215 )
113216 e_0_3_2 = zeta*( &
113217 +c2*e_0_2_2&
113218 +2*e_1_2_2 &
113219 -4*e_0_1_2)
113220 e_0_2_3 = zetb*( &
113221 +c3*e_0_2_2&
113222 +2*e_1_2_2 &
113223 -4*e_0_2_1)
113224 e_1_3_2 = zeta*( c1*e_0_2_2 &
113225 +c2*e_1_2_2&
113226 +4*e_2_2_2 &
113227 -4*e_1_1_2)
113228 e_1_2_3 = zetb*( c1*e_0_2_2 &
113229 +c3*e_1_2_2&
113230 +4*e_2_2_2 &
113231 -4*e_1_2_1)
113232 e_2_3_2 = zeta*( c1*e_1_2_2 &
113233 +c2*e_2_2_2&
113234 +6*e_3_2_2 &
113235 -4*e_2_1_2)
113236 e_2_2_3 = zetb*( c1*e_1_2_2 &
113237 +c3*e_2_2_2&
113238 +6*e_3_2_2 &
113239 -4*e_2_2_1)
113240 e_3_3_2 = zeta*( c1*e_2_2_2 &
113241 +c2*e_3_2_2&
113242 +8*e_4_2_2 &
113243 -4*e_3_1_2)
113244 e_3_2_3 = zetb*( c1*e_2_2_2 &
113245 +c3*e_3_2_2&
113246 +8*e_4_2_2 &
113247 -4*e_3_2_1)
113248 e_4_3_2 = zeta*( c1*e_3_2_2 &
113249 +c2*e_4_2_2&
113250
113251 )
113252 e_4_2_3 = zetb*( c1*e_3_2_2 &
113253 +c3*e_4_2_2&
113254
113255 )
113256 e_5_3_2 = zeta*( c1*e_4_2_2 &
113257
113258
113259 )
113260 e_5_2_3 = zetb*( c1*e_4_2_2 &
113261
113262
113263 )
113264 e_0_4_2 = zeta*( &
113265 +c2*e_0_3_2&
113266 +2*e_1_3_2 &
113267 -6*e_0_2_2)
113268 e_0_3_3 = zetb*( &
113269 +c3*e_0_3_2&
113270 +2*e_1_3_2 &
113271 -4*e_0_3_1)
113272 e_1_4_2 = zeta*( c1*e_0_3_2 &
113273 +c2*e_1_3_2&
113274 +4*e_2_3_2 &
113275 -6*e_1_2_2)
113276 e_1_3_3 = zetb*( c1*e_0_3_2 &
113277 +c3*e_1_3_2&
113278 +4*e_2_3_2 &
113279 -4*e_1_3_1)
113280 e_2_4_2 = zeta*( c1*e_1_3_2 &
113281 +c2*e_2_3_2&
113282 +6*e_3_3_2 &
113283 -6*e_2_2_2)
113284 e_2_3_3 = zetb*( c1*e_1_3_2 &
113285 +c3*e_2_3_2&
113286 +6*e_3_3_2 &
113287 -4*e_2_3_1)
113288 e_3_4_2 = zeta*( c1*e_2_3_2 &
113289 +c2*e_3_3_2&
113290 +8*e_4_3_2 &
113291 -6*e_3_2_2)
113292 e_3_3_3 = zetb*( c1*e_2_3_2 &
113293 +c3*e_3_3_2&
113294 +8*e_4_3_2 &
113295 -4*e_3_3_1)
113296 e_4_4_2 = zeta*( c1*e_3_3_2 &
113297 +c2*e_4_3_2&
113298 +10*e_5_3_2 &
113299 -6*e_4_2_2)
113300 e_4_3_3 = zetb*( c1*e_3_3_2 &
113301 +c3*e_4_3_2&
113302 +10*e_5_3_2 &
113303 -4*e_4_3_1)
113304 e_5_4_2 = zeta*( c1*e_4_3_2 &
113305 +c2*e_5_3_2&
113306
113307 )
113308 e_5_3_3 = zetb*( c1*e_4_3_2 &
113309 +c3*e_5_3_2&
113310
113311 )
113312 e_6_4_2 = zeta*( c1*e_5_3_2 &
113313
113314
113315 )
113316 e_6_3_3 = zetb*( c1*e_5_3_2 &
113317
113318
113319 )
113320 e_0_4_3 = zetb*( &
113321 +c3*e_0_4_2&
113322 +2*e_1_4_2 &
113323 -4*e_0_4_1)
113324 e_1_4_3 = zetb*( c1*e_0_4_2 &
113325 +c3*e_1_4_2&
113326 +4*e_2_4_2 &
113327 -4*e_1_4_1)
113328 e_2_4_3 = zetb*( c1*e_1_4_2 &
113329 +c3*e_2_4_2&
113330 +6*e_3_4_2 &
113331 -4*e_2_4_1)
113332 e_3_4_3 = zetb*( c1*e_2_4_2 &
113333 +c3*e_3_4_2&
113334 +8*e_4_4_2 &
113335 -4*e_3_4_1)
113336 e_4_4_3 = zetb*( c1*e_3_4_2 &
113337 +c3*e_4_4_2&
113338 +10*e_5_4_2 &
113339 -4*e_4_4_1)
113340 e_5_4_3 = zetb*( c1*e_4_4_2 &
113341 +c3*e_5_4_2&
113342 +12*e_6_4_2 &
113343 -4*e_5_4_1)
113344 e_6_4_3 = zetb*( c1*e_5_4_2 &
113345 +c3*e_6_4_2&
113346
113347 )
113348 e_7_4_3 = zetb*( c1*e_6_4_2 &
113349
113350
113351 )
113352 e_0_1_3 = zeta*( &
113353 +c2*e_0_0_3&
113354 +2*e_1_0_3 &
113355 )
113356 e_0_0_4 = zetb*( &
113357 +c3*e_0_0_3&
113358 +2*e_1_0_3 &
113359 -6*e_0_0_2)
113360 e_1_1_3 = zeta*( c1*e_0_0_3 &
113361 +c2*e_1_0_3&
113362 +4*e_2_0_3 &
113363 )
113364 e_1_0_4 = zetb*( c1*e_0_0_3 &
113365 +c3*e_1_0_3&
113366 +4*e_2_0_3 &
113367 -6*e_1_0_2)
113368 e_2_1_3 = zeta*( c1*e_1_0_3 &
113369 +c2*e_2_0_3&
113370 +6*e_3_0_3 &
113371 )
113372 e_2_0_4 = zetb*( c1*e_1_0_3 &
113373 +c3*e_2_0_3&
113374 +6*e_3_0_3 &
113375 -6*e_2_0_2)
113376 e_3_1_3 = zeta*( c1*e_2_0_3 &
113377 +c2*e_3_0_3&
113378
113379 )
113380 e_3_0_4 = zetb*( c1*e_2_0_3 &
113381 +c3*e_3_0_3&
113382
113383 )
113384 e_4_1_3 = zeta*( c1*e_3_0_3 &
113385
113386
113387 )
113388 e_4_0_4 = zetb*( c1*e_3_0_3 &
113389
113390
113391 )
113392 e_0_2_3 = zeta*( &
113393 +c2*e_0_1_3&
113394 +2*e_1_1_3 &
113395 -2*e_0_0_3)
113396 e_0_1_4 = zetb*( &
113397 +c3*e_0_1_3&
113398 +2*e_1_1_3 &
113399 -6*e_0_1_2)
113400 e_1_2_3 = zeta*( c1*e_0_1_3 &
113401 +c2*e_1_1_3&
113402 +4*e_2_1_3 &
113403 -2*e_1_0_3)
113404 e_1_1_4 = zetb*( c1*e_0_1_3 &
113405 +c3*e_1_1_3&
113406 +4*e_2_1_3 &
113407 -6*e_1_1_2)
113408 e_2_2_3 = zeta*( c1*e_1_1_3 &
113409 +c2*e_2_1_3&
113410 +6*e_3_1_3 &
113411 -2*e_2_0_3)
113412 e_2_1_4 = zetb*( c1*e_1_1_3 &
113413 +c3*e_2_1_3&
113414 +6*e_3_1_3 &
113415 -6*e_2_1_2)
113416 e_3_2_3 = zeta*( c1*e_2_1_3 &
113417 +c2*e_3_1_3&
113418 +8*e_4_1_3 &
113419 -2*e_3_0_3)
113420 e_3_1_4 = zetb*( c1*e_2_1_3 &
113421 +c3*e_3_1_3&
113422 +8*e_4_1_3 &
113423 -6*e_3_1_2)
113424 e_4_2_3 = zeta*( c1*e_3_1_3 &
113425 +c2*e_4_1_3&
113426
113427 )
113428 e_4_1_4 = zetb*( c1*e_3_1_3 &
113429 +c3*e_4_1_3&
113430
113431 )
113432 e_5_2_3 = zeta*( c1*e_4_1_3 &
113433
113434
113435 )
113436 e_5_1_4 = zetb*( c1*e_4_1_3 &
113437
113438
113439 )
113440 e_0_3_3 = zeta*( &
113441 +c2*e_0_2_3&
113442 +2*e_1_2_3 &
113443 -4*e_0_1_3)
113444 e_0_2_4 = zetb*( &
113445 +c3*e_0_2_3&
113446 +2*e_1_2_3 &
113447 -6*e_0_2_2)
113448 e_1_3_3 = zeta*( c1*e_0_2_3 &
113449 +c2*e_1_2_3&
113450 +4*e_2_2_3 &
113451 -4*e_1_1_3)
113452 e_1_2_4 = zetb*( c1*e_0_2_3 &
113453 +c3*e_1_2_3&
113454 +4*e_2_2_3 &
113455 -6*e_1_2_2)
113456 e_2_3_3 = zeta*( c1*e_1_2_3 &
113457 +c2*e_2_2_3&
113458 +6*e_3_2_3 &
113459 -4*e_2_1_3)
113460 e_2_2_4 = zetb*( c1*e_1_2_3 &
113461 +c3*e_2_2_3&
113462 +6*e_3_2_3 &
113463 -6*e_2_2_2)
113464 e_3_3_3 = zeta*( c1*e_2_2_3 &
113465 +c2*e_3_2_3&
113466 +8*e_4_2_3 &
113467 -4*e_3_1_3)
113468 e_3_2_4 = zetb*( c1*e_2_2_3 &
113469 +c3*e_3_2_3&
113470 +8*e_4_2_3 &
113471 -6*e_3_2_2)
113472 e_4_3_3 = zeta*( c1*e_3_2_3 &
113473 +c2*e_4_2_3&
113474 +10*e_5_2_3 &
113475 -4*e_4_1_3)
113476 e_4_2_4 = zetb*( c1*e_3_2_3 &
113477 +c3*e_4_2_3&
113478 +10*e_5_2_3 &
113479 -6*e_4_2_2)
113480 e_5_3_3 = zeta*( c1*e_4_2_3 &
113481 +c2*e_5_2_3&
113482
113483 )
113484 e_5_2_4 = zetb*( c1*e_4_2_3 &
113485 +c3*e_5_2_3&
113486
113487 )
113488 e_6_3_3 = zeta*( c1*e_5_2_3 &
113489
113490
113491 )
113492 e_6_2_4 = zetb*( c1*e_5_2_3 &
113493
113494
113495 )
113496 e_0_4_3 = zeta*( &
113497 +c2*e_0_3_3&
113498 +2*e_1_3_3 &
113499 -6*e_0_2_3)
113500 e_0_3_4 = zetb*( &
113501 +c3*e_0_3_3&
113502 +2*e_1_3_3 &
113503 -6*e_0_3_2)
113504 e_1_4_3 = zeta*( c1*e_0_3_3 &
113505 +c2*e_1_3_3&
113506 +4*e_2_3_3 &
113507 -6*e_1_2_3)
113508 e_1_3_4 = zetb*( c1*e_0_3_3 &
113509 +c3*e_1_3_3&
113510 +4*e_2_3_3 &
113511 -6*e_1_3_2)
113512 e_2_4_3 = zeta*( c1*e_1_3_3 &
113513 +c2*e_2_3_3&
113514 +6*e_3_3_3 &
113515 -6*e_2_2_3)
113516 e_2_3_4 = zetb*( c1*e_1_3_3 &
113517 +c3*e_2_3_3&
113518 +6*e_3_3_3 &
113519 -6*e_2_3_2)
113520 e_3_4_3 = zeta*( c1*e_2_3_3 &
113521 +c2*e_3_3_3&
113522 +8*e_4_3_3 &
113523 -6*e_3_2_3)
113524 e_3_3_4 = zetb*( c1*e_2_3_3 &
113525 +c3*e_3_3_3&
113526 +8*e_4_3_3 &
113527 -6*e_3_3_2)
113528 e_4_4_3 = zeta*( c1*e_3_3_3 &
113529 +c2*e_4_3_3&
113530 +10*e_5_3_3 &
113531 -6*e_4_2_3)
113532 e_4_3_4 = zetb*( c1*e_3_3_3 &
113533 +c3*e_4_3_3&
113534 +10*e_5_3_3 &
113535 -6*e_4_3_2)
113536 e_5_4_3 = zeta*( c1*e_4_3_3 &
113537 +c2*e_5_3_3&
113538 +12*e_6_3_3 &
113539 -6*e_5_2_3)
113540 e_5_3_4 = zetb*( c1*e_4_3_3 &
113541 +c3*e_5_3_3&
113542 +12*e_6_3_3 &
113543 -6*e_5_3_2)
113544 e_6_4_3 = zeta*( c1*e_5_3_3 &
113545 +c2*e_6_3_3&
113546
113547 )
113548 e_6_3_4 = zetb*( c1*e_5_3_3 &
113549 +c3*e_6_3_3&
113550
113551 )
113552 e_7_4_3 = zeta*( c1*e_6_3_3 &
113553
113554
113555 )
113556 e_7_3_4 = zetb*( c1*e_6_3_3 &
113557
113558
113559 )
113560 e_0_4_4 = zetb*( &
113561 +c3*e_0_4_3&
113562 +2*e_1_4_3 &
113563 -6*e_0_4_2)
113564 e_1_4_4 = zetb*( c1*e_0_4_3 &
113565 +c3*e_1_4_3&
113566 +4*e_2_4_3 &
113567 -6*e_1_4_2)
113568 e_2_4_4 = zetb*( c1*e_1_4_3 &
113569 +c3*e_2_4_3&
113570 +6*e_3_4_3 &
113571 -6*e_2_4_2)
113572 e_3_4_4 = zetb*( c1*e_2_4_3 &
113573 +c3*e_3_4_3&
113574 +8*e_4_4_3 &
113575 -6*e_3_4_2)
113576 e_4_4_4 = zetb*( c1*e_3_4_3 &
113577 +c3*e_4_4_3&
113578 +10*e_5_4_3 &
113579 -6*e_4_4_2)
113580 e_5_4_4 = zetb*( c1*e_4_4_3 &
113581 +c3*e_5_4_3&
113582 +12*e_6_4_3 &
113583 -6*e_5_4_2)
113584 e_6_4_4 = zetb*( c1*e_5_4_3 &
113585 +c3*e_6_4_3&
113586 +14*e_7_4_3 &
113587 -6*e_6_4_2)
113588 e_7_4_4 = zetb*( c1*e_6_4_3 &
113589 +c3*e_7_4_3&
113590
113591 )
113592 e_8_4_4 = zetb*( c1*e_7_4_3 &
113593
113594
113595 )
113596 e_0_1_4 = zeta*( &
113597 +c2*e_0_0_4&
113598 +2*e_1_0_4 &
113599 )
113600 e_1_1_4 = zeta*( c1*e_0_0_4 &
113601 +c2*e_1_0_4&
113602 +4*e_2_0_4 &
113603 )
113604 e_2_1_4 = zeta*( c1*e_1_0_4 &
113605 +c2*e_2_0_4&
113606 +6*e_3_0_4 &
113607 )
113608 e_3_1_4 = zeta*( c1*e_2_0_4 &
113609 +c2*e_3_0_4&
113610 +8*e_4_0_4 &
113611 )
113612 e_4_1_4 = zeta*( c1*e_3_0_4 &
113613 +c2*e_4_0_4&
113614
113615 )
113616 e_5_1_4 = zeta*( c1*e_4_0_4 &
113617
113618
113619 )
113620 e_0_2_4 = zeta*( &
113621 +c2*e_0_1_4&
113622 +2*e_1_1_4 &
113623 -2*e_0_0_4)
113624 e_1_2_4 = zeta*( c1*e_0_1_4 &
113625 +c2*e_1_1_4&
113626 +4*e_2_1_4 &
113627 -2*e_1_0_4)
113628 e_2_2_4 = zeta*( c1*e_1_1_4 &
113629 +c2*e_2_1_4&
113630 +6*e_3_1_4 &
113631 -2*e_2_0_4)
113632 e_3_2_4 = zeta*( c1*e_2_1_4 &
113633 +c2*e_3_1_4&
113634 +8*e_4_1_4 &
113635 -2*e_3_0_4)
113636 e_4_2_4 = zeta*( c1*e_3_1_4 &
113637 +c2*e_4_1_4&
113638 +10*e_5_1_4 &
113639 -2*e_4_0_4)
113640 e_5_2_4 = zeta*( c1*e_4_1_4 &
113641 +c2*e_5_1_4&
113642
113643 )
113644 e_6_2_4 = zeta*( c1*e_5_1_4 &
113645
113646
113647 )
113648 e_0_3_4 = zeta*( &
113649 +c2*e_0_2_4&
113650 +2*e_1_2_4 &
113651 -4*e_0_1_4)
113652 e_1_3_4 = zeta*( c1*e_0_2_4 &
113653 +c2*e_1_2_4&
113654 +4*e_2_2_4 &
113655 -4*e_1_1_4)
113656 e_2_3_4 = zeta*( c1*e_1_2_4 &
113657 +c2*e_2_2_4&
113658 +6*e_3_2_4 &
113659 -4*e_2_1_4)
113660 e_3_3_4 = zeta*( c1*e_2_2_4 &
113661 +c2*e_3_2_4&
113662 +8*e_4_2_4 &
113663 -4*e_3_1_4)
113664 e_4_3_4 = zeta*( c1*e_3_2_4 &
113665 +c2*e_4_2_4&
113666 +10*e_5_2_4 &
113667 -4*e_4_1_4)
113668 e_5_3_4 = zeta*( c1*e_4_2_4 &
113669 +c2*e_5_2_4&
113670 +12*e_6_2_4 &
113671 -4*e_5_1_4)
113672 e_6_3_4 = zeta*( c1*e_5_2_4 &
113673 +c2*e_6_2_4&
113674
113675 )
113676 e_7_3_4 = zeta*( c1*e_6_2_4 &
113677
113678
113679 )
113680 e_0_4_4 = zeta*( &
113681 +c2*e_0_3_4&
113682 +2*e_1_3_4 &
113683 -6*e_0_2_4)
113684 e_1_4_4 = zeta*( c1*e_0_3_4 &
113685 +c2*e_1_3_4&
113686 +4*e_2_3_4 &
113687 -6*e_1_2_4)
113688 e_2_4_4 = zeta*( c1*e_1_3_4 &
113689 +c2*e_2_3_4&
113690 +6*e_3_3_4 &
113691 -6*e_2_2_4)
113692 e_3_4_4 = zeta*( c1*e_2_3_4 &
113693 +c2*e_3_3_4&
113694 +8*e_4_3_4 &
113695 -6*e_3_2_4)
113696 e_4_4_4 = zeta*( c1*e_3_3_4 &
113697 +c2*e_4_3_4&
113698 +10*e_5_3_4 &
113699 -6*e_4_2_4)
113700 e_5_4_4 = zeta*( c1*e_4_3_4 &
113701 +c2*e_5_3_4&
113702 +12*e_6_3_4 &
113703 -6*e_5_2_4)
113704 e_6_4_4 = zeta*( c1*e_5_3_4 &
113705 +c2*e_6_3_4&
113706 +14*e_7_3_4 &
113707 -6*e_6_2_4)
113708 e_7_4_4 = zeta*( c1*e_6_3_4 &
113709 +c2*e_7_3_4&
113710
113711 )
113712 e_8_4_4 = zeta*( c1*e_7_3_4 &
113713
113714
113715 )
113716
113717 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
113718 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
113719 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
113720 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
113721 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
113722 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
113723 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
113724 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
113725 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
113726 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
113727 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
113728 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
113729 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
113730 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
113731 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
113732 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
113733 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
113734 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
113735 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
113736 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
113737 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
113738 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
113739 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
113740 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
113741 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
113742 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
113743 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
113744 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
113745 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
113746 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
113747 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
113748 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
113749 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
113750 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
113751 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
113752 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
113753 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
113754 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
113755 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
113756 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
113757 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
113758 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
113759 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
113760 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
113761 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
113762 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
113763 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
113764 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
113765 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
113766 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
113767 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
113768 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
113769 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
113770 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
113771 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
113772 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
113773 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
113774 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
113775 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
113776 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
113777 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
113778 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
113779 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
113780 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
113781 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
113782 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
113783 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
113784 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
113785 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
113786 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
113787 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
113788 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
113789 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
113790 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
113791 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
113792 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
113793 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
113794 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
113795 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
113796 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
113797 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
113798 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
113799 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
113800 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
113801 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
113802 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
113803 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
113804 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
113805 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
113806 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
113807 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
113808 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
113809 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
113810 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
113811 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
113812 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
113813 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
113814 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
113815 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
113816 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
113817 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
113818 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
113819 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
113820 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
113821 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
113822 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
113823 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
113824 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
113825 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
113826 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
113827 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
113828 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
113829 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
113830 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
113831 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
113832 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
113833 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
113834 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
113835 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
113836 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
113837 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
113838 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
113839 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
113840 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
113841 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
113842 r1 = r1 + dr
113843 END DO
113844
113845 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
113846 END SUBROUTINE
113847 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_1_exp_1 ( &
113848 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
113849 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
113850 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
113851 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
113852 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
113853 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
113854 r_pow_t, r_tmp, rr1_delta, rr2_delta
113855
113856 REAL(kind=dp) :: c1, c2, c3
113857 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
113858 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
113859 & s_r_t2_9
113860 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
113861 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
113862 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
113863 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
113864 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
113865 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
113866 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
113867 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
113868 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
113869 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
113870 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
113871 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
113872 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
113873 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
113874 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
113875 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
113876
113877 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
113878
113879 dr = lgth
113880 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
113881
113882 s_r(:, :, :) = 0.0_dp
113883
113884 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
113885
113886 h_to_c_0_0 = sqrt(alpha/pi)
113887
113888 h_to_c_0_1 = 0.0_dp
113889 h_to_c_1_1 = +2*alpha*h_to_c_0_0
113890 h_to_c_0_2 = -1*h_to_c_1_1
113891 h_to_c_1_2 = +2*alpha*h_to_c_0_1
113892 h_to_c_2_2 = +2*alpha*h_to_c_1_1
113893 h_to_c_0_3 = -1*h_to_c_1_2
113894 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
113895 h_to_c_2_3 = +2*alpha*h_to_c_1_2
113896 h_to_c_3_3 = +2*alpha*h_to_c_2_2
113897 h_to_c_0_4 = -1*h_to_c_1_3
113898 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
113899 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
113900 h_to_c_3_4 = +2*alpha*h_to_c_2_3
113901 h_to_c_4_4 = +2*alpha*h_to_c_3_3
113902 h_to_c_0_5 = -1*h_to_c_1_4
113903 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
113904 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
113905 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
113906 h_to_c_4_5 = +2*alpha*h_to_c_3_4
113907 h_to_c_5_5 = +2*alpha*h_to_c_4_4
113908 h_to_c_0_6 = -1*h_to_c_1_5
113909 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
113910 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
113911 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
113912 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
113913 h_to_c_5_6 = +2*alpha*h_to_c_4_5
113914 h_to_c_6_6 = +2*alpha*h_to_c_5_5
113915 h_to_c_0_7 = -1*h_to_c_1_6
113916 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
113917 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
113918 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
113919 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
113920 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
113921 h_to_c_6_7 = +2*alpha*h_to_c_5_6
113922 h_to_c_7_7 = +2*alpha*h_to_c_6_6
113923 h_to_c_0_8 = -1*h_to_c_1_7
113924 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
113925 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
113926 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
113927 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
113928 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
113929 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
113930 h_to_c_7_8 = +2*alpha*h_to_c_6_7
113931 h_to_c_8_8 = +2*alpha*h_to_c_7_7
113932 h_to_c_0_9 = -1*h_to_c_1_8
113933 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
113934 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
113935 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
113936 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
113937 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
113938 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
113939 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
113940 h_to_c_8_9 = +2*alpha*h_to_c_7_8
113941 h_to_c_9_9 = +2*alpha*h_to_c_8_8
113942
113943 exp_drsq = exp(-alpha*dr*dr)
113944 exp_2drsq = exp_drsq*exp_drsq
113945
113946 rr1_delta = (ra - rb)/dr
113947
113948 rr1_l = ceiling(-r_c(1) + rr1_delta)
113949 rr1_r = floor(r_c(1) + rr1_delta)
113950
113951 r1 = rr1_l*dr
113952
113953 alpha_e = zeta*zetb/(zeta + zetb)
113954
113955 DO rr1 = rr1_l, rr1_r
113956 s_r_t_0 = 0.0_dp
113957 s_r_t2_0 = 0.0_dp
113958 s_r_t_1 = 0.0_dp
113959 s_r_t2_1 = 0.0_dp
113960 s_r_t_2 = 0.0_dp
113961 s_r_t2_2 = 0.0_dp
113962 s_r_t_3 = 0.0_dp
113963 s_r_t2_3 = 0.0_dp
113964 s_r_t_4 = 0.0_dp
113965 s_r_t2_4 = 0.0_dp
113966 s_r_t_5 = 0.0_dp
113967 s_r_t2_5 = 0.0_dp
113968 s_r_t_6 = 0.0_dp
113969 s_r_t2_6 = 0.0_dp
113970 s_r_t_7 = 0.0_dp
113971 s_r_t2_7 = 0.0_dp
113972 s_r_t_8 = 0.0_dp
113973 s_r_t2_8 = 0.0_dp
113974 s_r_t_9 = 0.0_dp
113975 s_r_t2_9 = 0.0_dp
113976 r_tmp = r_offset + r1*zeta/(zeta + zetb)
113977 rr2_delta = -r_tmp/dr
113978
113979 rr2_l = ceiling(-r_c(2) + rr2_delta)
113980 rr2_r = floor(r_c(2) + rr2_delta)
113981
113982 r = r_tmp + (rr2_l)*dr
113983
113984 exp2_2rdr = exp(-2*alpha*r*dr)
113985 exp2_rsq = exp(-alpha*r*r)
113986
113987 DO rr2 = rr2_l, rr2_r
113988 r_pow_t = 1.0_dp
113989 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
113990 r_pow_t = r_pow_t*r
113991 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
113992 r_pow_t = r_pow_t*r
113993 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
113994 r_pow_t = r_pow_t*r
113995 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
113996 r_pow_t = r_pow_t*r
113997 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
113998 r_pow_t = r_pow_t*r
113999 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
114000 r_pow_t = r_pow_t*r
114001 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
114002 r_pow_t = r_pow_t*r
114003 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
114004 r_pow_t = r_pow_t*r
114005 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
114006 r_pow_t = r_pow_t*r
114007 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
114008
114009 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
114010 exp2_2rdr = exp2_2rdr*exp_2drsq
114011 r = r + dr
114012 END DO
114013
114014 ! C --> H
114015 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
114016 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
114017 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
114018 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
114019 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
114020 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
114021 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
114022 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
114023 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
114024 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
114025 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
114026 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
114027 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
114028 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
114029 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
114030 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
114031 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
114032 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
114033 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
114034 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
114035 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
114036 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
114037 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
114038 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
114039 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
114040 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
114041 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
114042 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
114043 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
114044 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
114045 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
114046 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
114047 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
114048 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
114049 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
114050 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
114051 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
114052 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
114053 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
114054 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
114055 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
114056 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
114057 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
114058 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
114059 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
114060 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
114061 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
114062 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
114063 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
114064 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
114065 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
114066 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
114067 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
114068 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
114069 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
114070
114071 ! H --> HH
114072 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
114073
114074 c1 = 1.0_dp/(zeta + zetb)
114075 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
114076 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
114077
114078 e_0_1_0 = zeta*( &
114079 +c2*e_0_0_0&
114080
114081 )
114082 e_0_0_1 = zetb*( &
114083 +c3*e_0_0_0&
114084
114085 )
114086 e_1_1_0 = zeta*( c1*e_0_0_0 &
114087
114088
114089 )
114090 e_1_0_1 = zetb*( c1*e_0_0_0 &
114091
114092
114093 )
114094 e_0_2_0 = zeta*( &
114095 +c2*e_0_1_0&
114096 +2*e_1_1_0 &
114097 -2*e_0_0_0)
114098 e_0_1_1 = zetb*( &
114099 +c3*e_0_1_0&
114100 +2*e_1_1_0 &
114101 )
114102 e_1_2_0 = zeta*( c1*e_0_1_0 &
114103 +c2*e_1_1_0&
114104
114105 )
114106 e_1_1_1 = zetb*( c1*e_0_1_0 &
114107 +c3*e_1_1_0&
114108
114109 )
114110 e_2_2_0 = zeta*( c1*e_1_1_0 &
114111
114112
114113 )
114114 e_2_1_1 = zetb*( c1*e_1_1_0 &
114115
114116
114117 )
114118 e_0_3_0 = zeta*( &
114119 +c2*e_0_2_0&
114120 +2*e_1_2_0 &
114121 -4*e_0_1_0)
114122 e_0_2_1 = zetb*( &
114123 +c3*e_0_2_0&
114124 +2*e_1_2_0 &
114125 )
114126 e_1_3_0 = zeta*( c1*e_0_2_0 &
114127 +c2*e_1_2_0&
114128 +4*e_2_2_0 &
114129 -4*e_1_1_0)
114130 e_1_2_1 = zetb*( c1*e_0_2_0 &
114131 +c3*e_1_2_0&
114132 +4*e_2_2_0 &
114133 )
114134 e_2_3_0 = zeta*( c1*e_1_2_0 &
114135 +c2*e_2_2_0&
114136
114137 )
114138 e_2_2_1 = zetb*( c1*e_1_2_0 &
114139 +c3*e_2_2_0&
114140
114141 )
114142 e_3_3_0 = zeta*( c1*e_2_2_0 &
114143
114144
114145 )
114146 e_3_2_1 = zetb*( c1*e_2_2_0 &
114147
114148
114149 )
114150 e_0_4_0 = zeta*( &
114151 +c2*e_0_3_0&
114152 +2*e_1_3_0 &
114153 -6*e_0_2_0)
114154 e_0_3_1 = zetb*( &
114155 +c3*e_0_3_0&
114156 +2*e_1_3_0 &
114157 )
114158 e_1_4_0 = zeta*( c1*e_0_3_0 &
114159 +c2*e_1_3_0&
114160 +4*e_2_3_0 &
114161 -6*e_1_2_0)
114162 e_1_3_1 = zetb*( c1*e_0_3_0 &
114163 +c3*e_1_3_0&
114164 +4*e_2_3_0 &
114165 )
114166 e_2_4_0 = zeta*( c1*e_1_3_0 &
114167 +c2*e_2_3_0&
114168 +6*e_3_3_0 &
114169 -6*e_2_2_0)
114170 e_2_3_1 = zetb*( c1*e_1_3_0 &
114171 +c3*e_2_3_0&
114172 +6*e_3_3_0 &
114173 )
114174 e_3_4_0 = zeta*( c1*e_2_3_0 &
114175 +c2*e_3_3_0&
114176
114177 )
114178 e_3_3_1 = zetb*( c1*e_2_3_0 &
114179 +c3*e_3_3_0&
114180
114181 )
114182 e_4_4_0 = zeta*( c1*e_3_3_0 &
114183
114184
114185 )
114186 e_4_3_1 = zetb*( c1*e_3_3_0 &
114187
114188
114189 )
114190 e_0_4_1 = zetb*( &
114191 +c3*e_0_4_0&
114192 +2*e_1_4_0 &
114193 )
114194 e_1_4_1 = zetb*( c1*e_0_4_0 &
114195 +c3*e_1_4_0&
114196 +4*e_2_4_0 &
114197 )
114198 e_2_4_1 = zetb*( c1*e_1_4_0 &
114199 +c3*e_2_4_0&
114200 +6*e_3_4_0 &
114201 )
114202 e_3_4_1 = zetb*( c1*e_2_4_0 &
114203 +c3*e_3_4_0&
114204 +8*e_4_4_0 &
114205 )
114206 e_4_4_1 = zetb*( c1*e_3_4_0 &
114207 +c3*e_4_4_0&
114208
114209 )
114210 e_5_4_1 = zetb*( c1*e_4_4_0 &
114211
114212
114213 )
114214 e_0_1_1 = zeta*( &
114215 +c2*e_0_0_1&
114216 +2*e_1_0_1 &
114217 )
114218 e_0_0_2 = zetb*( &
114219 +c3*e_0_0_1&
114220 +2*e_1_0_1 &
114221 -2*e_0_0_0)
114222 e_1_1_1 = zeta*( c1*e_0_0_1 &
114223 +c2*e_1_0_1&
114224
114225 )
114226 e_1_0_2 = zetb*( c1*e_0_0_1 &
114227 +c3*e_1_0_1&
114228
114229 )
114230 e_2_1_1 = zeta*( c1*e_1_0_1 &
114231
114232
114233 )
114234 e_2_0_2 = zetb*( c1*e_1_0_1 &
114235
114236
114237 )
114238 e_0_2_1 = zeta*( &
114239 +c2*e_0_1_1&
114240 +2*e_1_1_1 &
114241 -2*e_0_0_1)
114242 e_0_1_2 = zetb*( &
114243 +c3*e_0_1_1&
114244 +2*e_1_1_1 &
114245 -2*e_0_1_0)
114246 e_1_2_1 = zeta*( c1*e_0_1_1 &
114247 +c2*e_1_1_1&
114248 +4*e_2_1_1 &
114249 -2*e_1_0_1)
114250 e_1_1_2 = zetb*( c1*e_0_1_1 &
114251 +c3*e_1_1_1&
114252 +4*e_2_1_1 &
114253 -2*e_1_1_0)
114254 e_2_2_1 = zeta*( c1*e_1_1_1 &
114255 +c2*e_2_1_1&
114256
114257 )
114258 e_2_1_2 = zetb*( c1*e_1_1_1 &
114259 +c3*e_2_1_1&
114260
114261 )
114262 e_3_2_1 = zeta*( c1*e_2_1_1 &
114263
114264
114265 )
114266 e_3_1_2 = zetb*( c1*e_2_1_1 &
114267
114268
114269 )
114270 e_0_3_1 = zeta*( &
114271 +c2*e_0_2_1&
114272 +2*e_1_2_1 &
114273 -4*e_0_1_1)
114274 e_0_2_2 = zetb*( &
114275 +c3*e_0_2_1&
114276 +2*e_1_2_1 &
114277 -2*e_0_2_0)
114278 e_1_3_1 = zeta*( c1*e_0_2_1 &
114279 +c2*e_1_2_1&
114280 +4*e_2_2_1 &
114281 -4*e_1_1_1)
114282 e_1_2_2 = zetb*( c1*e_0_2_1 &
114283 +c3*e_1_2_1&
114284 +4*e_2_2_1 &
114285 -2*e_1_2_0)
114286 e_2_3_1 = zeta*( c1*e_1_2_1 &
114287 +c2*e_2_2_1&
114288 +6*e_3_2_1 &
114289 -4*e_2_1_1)
114290 e_2_2_2 = zetb*( c1*e_1_2_1 &
114291 +c3*e_2_2_1&
114292 +6*e_3_2_1 &
114293 -2*e_2_2_0)
114294 e_3_3_1 = zeta*( c1*e_2_2_1 &
114295 +c2*e_3_2_1&
114296
114297 )
114298 e_3_2_2 = zetb*( c1*e_2_2_1 &
114299 +c3*e_3_2_1&
114300
114301 )
114302 e_4_3_1 = zeta*( c1*e_3_2_1 &
114303
114304
114305 )
114306 e_4_2_2 = zetb*( c1*e_3_2_1 &
114307
114308
114309 )
114310 e_0_4_1 = zeta*( &
114311 +c2*e_0_3_1&
114312 +2*e_1_3_1 &
114313 -6*e_0_2_1)
114314 e_0_3_2 = zetb*( &
114315 +c3*e_0_3_1&
114316 +2*e_1_3_1 &
114317 -2*e_0_3_0)
114318 e_1_4_1 = zeta*( c1*e_0_3_1 &
114319 +c2*e_1_3_1&
114320 +4*e_2_3_1 &
114321 -6*e_1_2_1)
114322 e_1_3_2 = zetb*( c1*e_0_3_1 &
114323 +c3*e_1_3_1&
114324 +4*e_2_3_1 &
114325 -2*e_1_3_0)
114326 e_2_4_1 = zeta*( c1*e_1_3_1 &
114327 +c2*e_2_3_1&
114328 +6*e_3_3_1 &
114329 -6*e_2_2_1)
114330 e_2_3_2 = zetb*( c1*e_1_3_1 &
114331 +c3*e_2_3_1&
114332 +6*e_3_3_1 &
114333 -2*e_2_3_0)
114334 e_3_4_1 = zeta*( c1*e_2_3_1 &
114335 +c2*e_3_3_1&
114336 +8*e_4_3_1 &
114337 -6*e_3_2_1)
114338 e_3_3_2 = zetb*( c1*e_2_3_1 &
114339 +c3*e_3_3_1&
114340 +8*e_4_3_1 &
114341 -2*e_3_3_0)
114342 e_4_4_1 = zeta*( c1*e_3_3_1 &
114343 +c2*e_4_3_1&
114344
114345 )
114346 e_4_3_2 = zetb*( c1*e_3_3_1 &
114347 +c3*e_4_3_1&
114348
114349 )
114350 e_5_4_1 = zeta*( c1*e_4_3_1 &
114351
114352
114353 )
114354 e_5_3_2 = zetb*( c1*e_4_3_1 &
114355
114356
114357 )
114358 e_0_4_2 = zetb*( &
114359 +c3*e_0_4_1&
114360 +2*e_1_4_1 &
114361 -2*e_0_4_0)
114362 e_1_4_2 = zetb*( c1*e_0_4_1 &
114363 +c3*e_1_4_1&
114364 +4*e_2_4_1 &
114365 -2*e_1_4_0)
114366 e_2_4_2 = zetb*( c1*e_1_4_1 &
114367 +c3*e_2_4_1&
114368 +6*e_3_4_1 &
114369 -2*e_2_4_0)
114370 e_3_4_2 = zetb*( c1*e_2_4_1 &
114371 +c3*e_3_4_1&
114372 +8*e_4_4_1 &
114373 -2*e_3_4_0)
114374 e_4_4_2 = zetb*( c1*e_3_4_1 &
114375 +c3*e_4_4_1&
114376 +10*e_5_4_1 &
114377 -2*e_4_4_0)
114378 e_5_4_2 = zetb*( c1*e_4_4_1 &
114379 +c3*e_5_4_1&
114380
114381 )
114382 e_6_4_2 = zetb*( c1*e_5_4_1 &
114383
114384
114385 )
114386 e_0_1_2 = zeta*( &
114387 +c2*e_0_0_2&
114388 +2*e_1_0_2 &
114389 )
114390 e_0_0_3 = zetb*( &
114391 +c3*e_0_0_2&
114392 +2*e_1_0_2 &
114393 -4*e_0_0_1)
114394 e_1_1_2 = zeta*( c1*e_0_0_2 &
114395 +c2*e_1_0_2&
114396 +4*e_2_0_2 &
114397 )
114398 e_1_0_3 = zetb*( c1*e_0_0_2 &
114399 +c3*e_1_0_2&
114400 +4*e_2_0_2 &
114401 -4*e_1_0_1)
114402 e_2_1_2 = zeta*( c1*e_1_0_2 &
114403 +c2*e_2_0_2&
114404
114405 )
114406 e_2_0_3 = zetb*( c1*e_1_0_2 &
114407 +c3*e_2_0_2&
114408
114409 )
114410 e_3_1_2 = zeta*( c1*e_2_0_2 &
114411
114412
114413 )
114414 e_3_0_3 = zetb*( c1*e_2_0_2 &
114415
114416
114417 )
114418 e_0_2_2 = zeta*( &
114419 +c2*e_0_1_2&
114420 +2*e_1_1_2 &
114421 -2*e_0_0_2)
114422 e_0_1_3 = zetb*( &
114423 +c3*e_0_1_2&
114424 +2*e_1_1_2 &
114425 -4*e_0_1_1)
114426 e_1_2_2 = zeta*( c1*e_0_1_2 &
114427 +c2*e_1_1_2&
114428 +4*e_2_1_2 &
114429 -2*e_1_0_2)
114430 e_1_1_3 = zetb*( c1*e_0_1_2 &
114431 +c3*e_1_1_2&
114432 +4*e_2_1_2 &
114433 -4*e_1_1_1)
114434 e_2_2_2 = zeta*( c1*e_1_1_2 &
114435 +c2*e_2_1_2&
114436 +6*e_3_1_2 &
114437 -2*e_2_0_2)
114438 e_2_1_3 = zetb*( c1*e_1_1_2 &
114439 +c3*e_2_1_2&
114440 +6*e_3_1_2 &
114441 -4*e_2_1_1)
114442 e_3_2_2 = zeta*( c1*e_2_1_2 &
114443 +c2*e_3_1_2&
114444
114445 )
114446 e_3_1_3 = zetb*( c1*e_2_1_2 &
114447 +c3*e_3_1_2&
114448
114449 )
114450 e_4_2_2 = zeta*( c1*e_3_1_2 &
114451
114452
114453 )
114454 e_4_1_3 = zetb*( c1*e_3_1_2 &
114455
114456
114457 )
114458 e_0_3_2 = zeta*( &
114459 +c2*e_0_2_2&
114460 +2*e_1_2_2 &
114461 -4*e_0_1_2)
114462 e_0_2_3 = zetb*( &
114463 +c3*e_0_2_2&
114464 +2*e_1_2_2 &
114465 -4*e_0_2_1)
114466 e_1_3_2 = zeta*( c1*e_0_2_2 &
114467 +c2*e_1_2_2&
114468 +4*e_2_2_2 &
114469 -4*e_1_1_2)
114470 e_1_2_3 = zetb*( c1*e_0_2_2 &
114471 +c3*e_1_2_2&
114472 +4*e_2_2_2 &
114473 -4*e_1_2_1)
114474 e_2_3_2 = zeta*( c1*e_1_2_2 &
114475 +c2*e_2_2_2&
114476 +6*e_3_2_2 &
114477 -4*e_2_1_2)
114478 e_2_2_3 = zetb*( c1*e_1_2_2 &
114479 +c3*e_2_2_2&
114480 +6*e_3_2_2 &
114481 -4*e_2_2_1)
114482 e_3_3_2 = zeta*( c1*e_2_2_2 &
114483 +c2*e_3_2_2&
114484 +8*e_4_2_2 &
114485 -4*e_3_1_2)
114486 e_3_2_3 = zetb*( c1*e_2_2_2 &
114487 +c3*e_3_2_2&
114488 +8*e_4_2_2 &
114489 -4*e_3_2_1)
114490 e_4_3_2 = zeta*( c1*e_3_2_2 &
114491 +c2*e_4_2_2&
114492
114493 )
114494 e_4_2_3 = zetb*( c1*e_3_2_2 &
114495 +c3*e_4_2_2&
114496
114497 )
114498 e_5_3_2 = zeta*( c1*e_4_2_2 &
114499
114500
114501 )
114502 e_5_2_3 = zetb*( c1*e_4_2_2 &
114503
114504
114505 )
114506 e_0_4_2 = zeta*( &
114507 +c2*e_0_3_2&
114508 +2*e_1_3_2 &
114509 -6*e_0_2_2)
114510 e_0_3_3 = zetb*( &
114511 +c3*e_0_3_2&
114512 +2*e_1_3_2 &
114513 -4*e_0_3_1)
114514 e_1_4_2 = zeta*( c1*e_0_3_2 &
114515 +c2*e_1_3_2&
114516 +4*e_2_3_2 &
114517 -6*e_1_2_2)
114518 e_1_3_3 = zetb*( c1*e_0_3_2 &
114519 +c3*e_1_3_2&
114520 +4*e_2_3_2 &
114521 -4*e_1_3_1)
114522 e_2_4_2 = zeta*( c1*e_1_3_2 &
114523 +c2*e_2_3_2&
114524 +6*e_3_3_2 &
114525 -6*e_2_2_2)
114526 e_2_3_3 = zetb*( c1*e_1_3_2 &
114527 +c3*e_2_3_2&
114528 +6*e_3_3_2 &
114529 -4*e_2_3_1)
114530 e_3_4_2 = zeta*( c1*e_2_3_2 &
114531 +c2*e_3_3_2&
114532 +8*e_4_3_2 &
114533 -6*e_3_2_2)
114534 e_3_3_3 = zetb*( c1*e_2_3_2 &
114535 +c3*e_3_3_2&
114536 +8*e_4_3_2 &
114537 -4*e_3_3_1)
114538 e_4_4_2 = zeta*( c1*e_3_3_2 &
114539 +c2*e_4_3_2&
114540 +10*e_5_3_2 &
114541 -6*e_4_2_2)
114542 e_4_3_3 = zetb*( c1*e_3_3_2 &
114543 +c3*e_4_3_2&
114544 +10*e_5_3_2 &
114545 -4*e_4_3_1)
114546 e_5_4_2 = zeta*( c1*e_4_3_2 &
114547 +c2*e_5_3_2&
114548
114549 )
114550 e_5_3_3 = zetb*( c1*e_4_3_2 &
114551 +c3*e_5_3_2&
114552
114553 )
114554 e_6_4_2 = zeta*( c1*e_5_3_2 &
114555
114556
114557 )
114558 e_6_3_3 = zetb*( c1*e_5_3_2 &
114559
114560
114561 )
114562 e_0_4_3 = zetb*( &
114563 +c3*e_0_4_2&
114564 +2*e_1_4_2 &
114565 -4*e_0_4_1)
114566 e_1_4_3 = zetb*( c1*e_0_4_2 &
114567 +c3*e_1_4_2&
114568 +4*e_2_4_2 &
114569 -4*e_1_4_1)
114570 e_2_4_3 = zetb*( c1*e_1_4_2 &
114571 +c3*e_2_4_2&
114572 +6*e_3_4_2 &
114573 -4*e_2_4_1)
114574 e_3_4_3 = zetb*( c1*e_2_4_2 &
114575 +c3*e_3_4_2&
114576 +8*e_4_4_2 &
114577 -4*e_3_4_1)
114578 e_4_4_3 = zetb*( c1*e_3_4_2 &
114579 +c3*e_4_4_2&
114580 +10*e_5_4_2 &
114581 -4*e_4_4_1)
114582 e_5_4_3 = zetb*( c1*e_4_4_2 &
114583 +c3*e_5_4_2&
114584 +12*e_6_4_2 &
114585 -4*e_5_4_1)
114586 e_6_4_3 = zetb*( c1*e_5_4_2 &
114587 +c3*e_6_4_2&
114588
114589 )
114590 e_7_4_3 = zetb*( c1*e_6_4_2 &
114591
114592
114593 )
114594 e_0_1_3 = zeta*( &
114595 +c2*e_0_0_3&
114596 +2*e_1_0_3 &
114597 )
114598 e_0_0_4 = zetb*( &
114599 +c3*e_0_0_3&
114600 +2*e_1_0_3 &
114601 -6*e_0_0_2)
114602 e_1_1_3 = zeta*( c1*e_0_0_3 &
114603 +c2*e_1_0_3&
114604 +4*e_2_0_3 &
114605 )
114606 e_1_0_4 = zetb*( c1*e_0_0_3 &
114607 +c3*e_1_0_3&
114608 +4*e_2_0_3 &
114609 -6*e_1_0_2)
114610 e_2_1_3 = zeta*( c1*e_1_0_3 &
114611 +c2*e_2_0_3&
114612 +6*e_3_0_3 &
114613 )
114614 e_2_0_4 = zetb*( c1*e_1_0_3 &
114615 +c3*e_2_0_3&
114616 +6*e_3_0_3 &
114617 -6*e_2_0_2)
114618 e_3_1_3 = zeta*( c1*e_2_0_3 &
114619 +c2*e_3_0_3&
114620
114621 )
114622 e_3_0_4 = zetb*( c1*e_2_0_3 &
114623 +c3*e_3_0_3&
114624
114625 )
114626 e_4_1_3 = zeta*( c1*e_3_0_3 &
114627
114628
114629 )
114630 e_4_0_4 = zetb*( c1*e_3_0_3 &
114631
114632
114633 )
114634 e_0_2_3 = zeta*( &
114635 +c2*e_0_1_3&
114636 +2*e_1_1_3 &
114637 -2*e_0_0_3)
114638 e_0_1_4 = zetb*( &
114639 +c3*e_0_1_3&
114640 +2*e_1_1_3 &
114641 -6*e_0_1_2)
114642 e_1_2_3 = zeta*( c1*e_0_1_3 &
114643 +c2*e_1_1_3&
114644 +4*e_2_1_3 &
114645 -2*e_1_0_3)
114646 e_1_1_4 = zetb*( c1*e_0_1_3 &
114647 +c3*e_1_1_3&
114648 +4*e_2_1_3 &
114649 -6*e_1_1_2)
114650 e_2_2_3 = zeta*( c1*e_1_1_3 &
114651 +c2*e_2_1_3&
114652 +6*e_3_1_3 &
114653 -2*e_2_0_3)
114654 e_2_1_4 = zetb*( c1*e_1_1_3 &
114655 +c3*e_2_1_3&
114656 +6*e_3_1_3 &
114657 -6*e_2_1_2)
114658 e_3_2_3 = zeta*( c1*e_2_1_3 &
114659 +c2*e_3_1_3&
114660 +8*e_4_1_3 &
114661 -2*e_3_0_3)
114662 e_3_1_4 = zetb*( c1*e_2_1_3 &
114663 +c3*e_3_1_3&
114664 +8*e_4_1_3 &
114665 -6*e_3_1_2)
114666 e_4_2_3 = zeta*( c1*e_3_1_3 &
114667 +c2*e_4_1_3&
114668
114669 )
114670 e_4_1_4 = zetb*( c1*e_3_1_3 &
114671 +c3*e_4_1_3&
114672
114673 )
114674 e_5_2_3 = zeta*( c1*e_4_1_3 &
114675
114676
114677 )
114678 e_5_1_4 = zetb*( c1*e_4_1_3 &
114679
114680
114681 )
114682 e_0_3_3 = zeta*( &
114683 +c2*e_0_2_3&
114684 +2*e_1_2_3 &
114685 -4*e_0_1_3)
114686 e_0_2_4 = zetb*( &
114687 +c3*e_0_2_3&
114688 +2*e_1_2_3 &
114689 -6*e_0_2_2)
114690 e_1_3_3 = zeta*( c1*e_0_2_3 &
114691 +c2*e_1_2_3&
114692 +4*e_2_2_3 &
114693 -4*e_1_1_3)
114694 e_1_2_4 = zetb*( c1*e_0_2_3 &
114695 +c3*e_1_2_3&
114696 +4*e_2_2_3 &
114697 -6*e_1_2_2)
114698 e_2_3_3 = zeta*( c1*e_1_2_3 &
114699 +c2*e_2_2_3&
114700 +6*e_3_2_3 &
114701 -4*e_2_1_3)
114702 e_2_2_4 = zetb*( c1*e_1_2_3 &
114703 +c3*e_2_2_3&
114704 +6*e_3_2_3 &
114705 -6*e_2_2_2)
114706 e_3_3_3 = zeta*( c1*e_2_2_3 &
114707 +c2*e_3_2_3&
114708 +8*e_4_2_3 &
114709 -4*e_3_1_3)
114710 e_3_2_4 = zetb*( c1*e_2_2_3 &
114711 +c3*e_3_2_3&
114712 +8*e_4_2_3 &
114713 -6*e_3_2_2)
114714 e_4_3_3 = zeta*( c1*e_3_2_3 &
114715 +c2*e_4_2_3&
114716 +10*e_5_2_3 &
114717 -4*e_4_1_3)
114718 e_4_2_4 = zetb*( c1*e_3_2_3 &
114719 +c3*e_4_2_3&
114720 +10*e_5_2_3 &
114721 -6*e_4_2_2)
114722 e_5_3_3 = zeta*( c1*e_4_2_3 &
114723 +c2*e_5_2_3&
114724
114725 )
114726 e_5_2_4 = zetb*( c1*e_4_2_3 &
114727 +c3*e_5_2_3&
114728
114729 )
114730 e_6_3_3 = zeta*( c1*e_5_2_3 &
114731
114732
114733 )
114734 e_6_2_4 = zetb*( c1*e_5_2_3 &
114735
114736
114737 )
114738 e_0_4_3 = zeta*( &
114739 +c2*e_0_3_3&
114740 +2*e_1_3_3 &
114741 -6*e_0_2_3)
114742 e_0_3_4 = zetb*( &
114743 +c3*e_0_3_3&
114744 +2*e_1_3_3 &
114745 -6*e_0_3_2)
114746 e_1_4_3 = zeta*( c1*e_0_3_3 &
114747 +c2*e_1_3_3&
114748 +4*e_2_3_3 &
114749 -6*e_1_2_3)
114750 e_1_3_4 = zetb*( c1*e_0_3_3 &
114751 +c3*e_1_3_3&
114752 +4*e_2_3_3 &
114753 -6*e_1_3_2)
114754 e_2_4_3 = zeta*( c1*e_1_3_3 &
114755 +c2*e_2_3_3&
114756 +6*e_3_3_3 &
114757 -6*e_2_2_3)
114758 e_2_3_4 = zetb*( c1*e_1_3_3 &
114759 +c3*e_2_3_3&
114760 +6*e_3_3_3 &
114761 -6*e_2_3_2)
114762 e_3_4_3 = zeta*( c1*e_2_3_3 &
114763 +c2*e_3_3_3&
114764 +8*e_4_3_3 &
114765 -6*e_3_2_3)
114766 e_3_3_4 = zetb*( c1*e_2_3_3 &
114767 +c3*e_3_3_3&
114768 +8*e_4_3_3 &
114769 -6*e_3_3_2)
114770 e_4_4_3 = zeta*( c1*e_3_3_3 &
114771 +c2*e_4_3_3&
114772 +10*e_5_3_3 &
114773 -6*e_4_2_3)
114774 e_4_3_4 = zetb*( c1*e_3_3_3 &
114775 +c3*e_4_3_3&
114776 +10*e_5_3_3 &
114777 -6*e_4_3_2)
114778 e_5_4_3 = zeta*( c1*e_4_3_3 &
114779 +c2*e_5_3_3&
114780 +12*e_6_3_3 &
114781 -6*e_5_2_3)
114782 e_5_3_4 = zetb*( c1*e_4_3_3 &
114783 +c3*e_5_3_3&
114784 +12*e_6_3_3 &
114785 -6*e_5_3_2)
114786 e_6_4_3 = zeta*( c1*e_5_3_3 &
114787 +c2*e_6_3_3&
114788
114789 )
114790 e_6_3_4 = zetb*( c1*e_5_3_3 &
114791 +c3*e_6_3_3&
114792
114793 )
114794 e_7_4_3 = zeta*( c1*e_6_3_3 &
114795
114796
114797 )
114798 e_7_3_4 = zetb*( c1*e_6_3_3 &
114799
114800
114801 )
114802 e_0_4_4 = zetb*( &
114803 +c3*e_0_4_3&
114804 +2*e_1_4_3 &
114805 -6*e_0_4_2)
114806 e_1_4_4 = zetb*( c1*e_0_4_3 &
114807 +c3*e_1_4_3&
114808 +4*e_2_4_3 &
114809 -6*e_1_4_2)
114810 e_2_4_4 = zetb*( c1*e_1_4_3 &
114811 +c3*e_2_4_3&
114812 +6*e_3_4_3 &
114813 -6*e_2_4_2)
114814 e_3_4_4 = zetb*( c1*e_2_4_3 &
114815 +c3*e_3_4_3&
114816 +8*e_4_4_3 &
114817 -6*e_3_4_2)
114818 e_4_4_4 = zetb*( c1*e_3_4_3 &
114819 +c3*e_4_4_3&
114820 +10*e_5_4_3 &
114821 -6*e_4_4_2)
114822 e_5_4_4 = zetb*( c1*e_4_4_3 &
114823 +c3*e_5_4_3&
114824 +12*e_6_4_3 &
114825 -6*e_5_4_2)
114826 e_6_4_4 = zetb*( c1*e_5_4_3 &
114827 +c3*e_6_4_3&
114828 +14*e_7_4_3 &
114829 -6*e_6_4_2)
114830 e_7_4_4 = zetb*( c1*e_6_4_3 &
114831 +c3*e_7_4_3&
114832
114833 )
114834 e_8_4_4 = zetb*( c1*e_7_4_3 &
114835
114836
114837 )
114838 e_0_1_4 = zeta*( &
114839 +c2*e_0_0_4&
114840 +2*e_1_0_4 &
114841 )
114842 e_1_1_4 = zeta*( c1*e_0_0_4 &
114843 +c2*e_1_0_4&
114844 +4*e_2_0_4 &
114845 )
114846 e_2_1_4 = zeta*( c1*e_1_0_4 &
114847 +c2*e_2_0_4&
114848 +6*e_3_0_4 &
114849 )
114850 e_3_1_4 = zeta*( c1*e_2_0_4 &
114851 +c2*e_3_0_4&
114852 +8*e_4_0_4 &
114853 )
114854 e_4_1_4 = zeta*( c1*e_3_0_4 &
114855 +c2*e_4_0_4&
114856
114857 )
114858 e_5_1_4 = zeta*( c1*e_4_0_4 &
114859
114860
114861 )
114862 e_0_2_4 = zeta*( &
114863 +c2*e_0_1_4&
114864 +2*e_1_1_4 &
114865 -2*e_0_0_4)
114866 e_1_2_4 = zeta*( c1*e_0_1_4 &
114867 +c2*e_1_1_4&
114868 +4*e_2_1_4 &
114869 -2*e_1_0_4)
114870 e_2_2_4 = zeta*( c1*e_1_1_4 &
114871 +c2*e_2_1_4&
114872 +6*e_3_1_4 &
114873 -2*e_2_0_4)
114874 e_3_2_4 = zeta*( c1*e_2_1_4 &
114875 +c2*e_3_1_4&
114876 +8*e_4_1_4 &
114877 -2*e_3_0_4)
114878 e_4_2_4 = zeta*( c1*e_3_1_4 &
114879 +c2*e_4_1_4&
114880 +10*e_5_1_4 &
114881 -2*e_4_0_4)
114882 e_5_2_4 = zeta*( c1*e_4_1_4 &
114883 +c2*e_5_1_4&
114884
114885 )
114886 e_6_2_4 = zeta*( c1*e_5_1_4 &
114887
114888
114889 )
114890 e_0_3_4 = zeta*( &
114891 +c2*e_0_2_4&
114892 +2*e_1_2_4 &
114893 -4*e_0_1_4)
114894 e_1_3_4 = zeta*( c1*e_0_2_4 &
114895 +c2*e_1_2_4&
114896 +4*e_2_2_4 &
114897 -4*e_1_1_4)
114898 e_2_3_4 = zeta*( c1*e_1_2_4 &
114899 +c2*e_2_2_4&
114900 +6*e_3_2_4 &
114901 -4*e_2_1_4)
114902 e_3_3_4 = zeta*( c1*e_2_2_4 &
114903 +c2*e_3_2_4&
114904 +8*e_4_2_4 &
114905 -4*e_3_1_4)
114906 e_4_3_4 = zeta*( c1*e_3_2_4 &
114907 +c2*e_4_2_4&
114908 +10*e_5_2_4 &
114909 -4*e_4_1_4)
114910 e_5_3_4 = zeta*( c1*e_4_2_4 &
114911 +c2*e_5_2_4&
114912 +12*e_6_2_4 &
114913 -4*e_5_1_4)
114914 e_6_3_4 = zeta*( c1*e_5_2_4 &
114915 +c2*e_6_2_4&
114916
114917 )
114918 e_7_3_4 = zeta*( c1*e_6_2_4 &
114919
114920
114921 )
114922 e_0_4_4 = zeta*( &
114923 +c2*e_0_3_4&
114924 +2*e_1_3_4 &
114925 -6*e_0_2_4)
114926 e_1_4_4 = zeta*( c1*e_0_3_4 &
114927 +c2*e_1_3_4&
114928 +4*e_2_3_4 &
114929 -6*e_1_2_4)
114930 e_2_4_4 = zeta*( c1*e_1_3_4 &
114931 +c2*e_2_3_4&
114932 +6*e_3_3_4 &
114933 -6*e_2_2_4)
114934 e_3_4_4 = zeta*( c1*e_2_3_4 &
114935 +c2*e_3_3_4&
114936 +8*e_4_3_4 &
114937 -6*e_3_2_4)
114938 e_4_4_4 = zeta*( c1*e_3_3_4 &
114939 +c2*e_4_3_4&
114940 +10*e_5_3_4 &
114941 -6*e_4_2_4)
114942 e_5_4_4 = zeta*( c1*e_4_3_4 &
114943 +c2*e_5_3_4&
114944 +12*e_6_3_4 &
114945 -6*e_5_2_4)
114946 e_6_4_4 = zeta*( c1*e_5_3_4 &
114947 +c2*e_6_3_4&
114948 +14*e_7_3_4 &
114949 -6*e_6_2_4)
114950 e_7_4_4 = zeta*( c1*e_6_3_4 &
114951 +c2*e_7_3_4&
114952
114953 )
114954 e_8_4_4 = zeta*( c1*e_7_3_4 &
114955
114956
114957 )
114958
114959 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
114960 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
114961 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
114962 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
114963 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
114964 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
114965 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
114966 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
114967 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
114968 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
114969 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
114970 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
114971 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
114972 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
114973 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
114974 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
114975 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
114976 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
114977 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
114978 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
114979 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
114980 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
114981 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
114982 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
114983 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
114984 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
114985 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
114986 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
114987 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
114988 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
114989 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
114990 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
114991 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
114992 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
114993 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
114994 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
114995 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
114996 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
114997 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
114998 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
114999 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
115000 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
115001 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
115002 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
115003 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
115004 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
115005 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
115006 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
115007 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
115008 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
115009 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
115010 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
115011 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
115012 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
115013 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
115014 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
115015 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
115016 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
115017 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
115018 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
115019 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
115020 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
115021 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
115022 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
115023 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
115024 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
115025 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
115026 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
115027 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
115028 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
115029 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
115030 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
115031 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
115032 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
115033 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
115034 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
115035 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
115036 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
115037 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
115038 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
115039 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
115040 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
115041 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
115042 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
115043 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
115044 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
115045 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
115046 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
115047 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
115048 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
115049 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
115050 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
115051 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
115052 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
115053 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
115054 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
115055 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
115056 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
115057 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
115058 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
115059 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
115060 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
115061 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
115062 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
115063 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
115064 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
115065 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
115066 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
115067 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
115068 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
115069 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
115070 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
115071 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
115072 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
115073 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
115074 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
115075 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
115076 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
115077 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
115078 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
115079 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
115080 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
115081 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
115082 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
115083 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
115084 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
115085 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
115086 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
115087 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
115088 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
115089 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
115090 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
115091 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
115092 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
115093 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
115094 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
115095 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
115096 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
115097 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
115098 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
115099 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
115100 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
115101 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
115102 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
115103 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
115104 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
115105 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
115106 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
115107 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
115108 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
115109 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
115110 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
115111 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
115112 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
115113 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
115114 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
115115 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
115116 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
115117 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
115118 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
115119 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
115120 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
115121 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
115122 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
115123 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
115124 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
115125 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
115126 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
115127 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
115128 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
115129 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
115130 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
115131 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
115132 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
115133 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
115134 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
115135 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
115136 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
115137 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
115138 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
115139 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
115140 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
115141 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
115142 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
115143 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
115144 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
115145 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
115146 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
115147 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
115148 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
115149 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
115150 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
115151 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
115152 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
115153 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
115154 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
115155 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
115156 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
115157 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
115158 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
115159 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
115160 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
115161 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
115162 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
115163 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
115164 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
115165 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
115166 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
115167 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
115168 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
115169 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
115170 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
115171 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
115172 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
115173 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
115174 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
115175 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
115176 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
115177 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
115178 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
115179 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
115180 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
115181 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
115182 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
115183 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
115184 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
115185 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
115186 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
115187 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
115188 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
115189 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
115190 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
115191 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
115192 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
115193 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
115194 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
115195 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
115196 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
115197 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
115198 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
115199 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
115200 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
115201 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
115202 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
115203 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
115204 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
115205 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
115206 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
115207 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
115208 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
115209 r1 = r1 + dr
115210 END DO
115211
115212 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
115213 END SUBROUTINE
115214 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_2_exp_1 ( &
115215 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
115216 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
115217 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
115218 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
115219 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
115220 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
115221 r_pow_t, r_tmp, rr1_delta, rr2_delta
115222
115223 REAL(kind=dp) :: c1, c2, c3
115224 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
115225 & s_r_t_10
115226 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
115227 & s_r_t2_9, s_r_t2_10
115228 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
115229 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
115230 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
115231 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
115232 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
115233 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
115234 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
115235 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
115236 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
115237 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
115238 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
115239 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
115240 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
115241 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
115242 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
115243 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
115244 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
115245
115246 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
115247
115248 dr = lgth
115249 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
115250
115251 s_r(:, :, :) = 0.0_dp
115252
115253 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
115254
115255 h_to_c_0_0 = sqrt(alpha/pi)
115256
115257 h_to_c_0_1 = 0.0_dp
115258 h_to_c_1_1 = +2*alpha*h_to_c_0_0
115259 h_to_c_0_2 = -1*h_to_c_1_1
115260 h_to_c_1_2 = +2*alpha*h_to_c_0_1
115261 h_to_c_2_2 = +2*alpha*h_to_c_1_1
115262 h_to_c_0_3 = -1*h_to_c_1_2
115263 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
115264 h_to_c_2_3 = +2*alpha*h_to_c_1_2
115265 h_to_c_3_3 = +2*alpha*h_to_c_2_2
115266 h_to_c_0_4 = -1*h_to_c_1_3
115267 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
115268 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
115269 h_to_c_3_4 = +2*alpha*h_to_c_2_3
115270 h_to_c_4_4 = +2*alpha*h_to_c_3_3
115271 h_to_c_0_5 = -1*h_to_c_1_4
115272 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
115273 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
115274 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
115275 h_to_c_4_5 = +2*alpha*h_to_c_3_4
115276 h_to_c_5_5 = +2*alpha*h_to_c_4_4
115277 h_to_c_0_6 = -1*h_to_c_1_5
115278 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
115279 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
115280 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
115281 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
115282 h_to_c_5_6 = +2*alpha*h_to_c_4_5
115283 h_to_c_6_6 = +2*alpha*h_to_c_5_5
115284 h_to_c_0_7 = -1*h_to_c_1_6
115285 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
115286 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
115287 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
115288 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
115289 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
115290 h_to_c_6_7 = +2*alpha*h_to_c_5_6
115291 h_to_c_7_7 = +2*alpha*h_to_c_6_6
115292 h_to_c_0_8 = -1*h_to_c_1_7
115293 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
115294 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
115295 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
115296 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
115297 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
115298 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
115299 h_to_c_7_8 = +2*alpha*h_to_c_6_7
115300 h_to_c_8_8 = +2*alpha*h_to_c_7_7
115301 h_to_c_0_9 = -1*h_to_c_1_8
115302 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
115303 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
115304 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
115305 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
115306 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
115307 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
115308 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
115309 h_to_c_8_9 = +2*alpha*h_to_c_7_8
115310 h_to_c_9_9 = +2*alpha*h_to_c_8_8
115311 h_to_c_0_10 = -1*h_to_c_1_9
115312 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
115313 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
115314 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
115315 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
115316 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
115317 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
115318 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
115319 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
115320 h_to_c_9_10 = +2*alpha*h_to_c_8_9
115321 h_to_c_10_10 = +2*alpha*h_to_c_9_9
115322
115323 exp_drsq = exp(-alpha*dr*dr)
115324 exp_2drsq = exp_drsq*exp_drsq
115325
115326 rr1_delta = (ra - rb)/dr
115327
115328 rr1_l = ceiling(-r_c(1) + rr1_delta)
115329 rr1_r = floor(r_c(1) + rr1_delta)
115330
115331 r1 = rr1_l*dr
115332
115333 alpha_e = zeta*zetb/(zeta + zetb)
115334
115335 DO rr1 = rr1_l, rr1_r
115336 s_r_t_0 = 0.0_dp
115337 s_r_t2_0 = 0.0_dp
115338 s_r_t_1 = 0.0_dp
115339 s_r_t2_1 = 0.0_dp
115340 s_r_t_2 = 0.0_dp
115341 s_r_t2_2 = 0.0_dp
115342 s_r_t_3 = 0.0_dp
115343 s_r_t2_3 = 0.0_dp
115344 s_r_t_4 = 0.0_dp
115345 s_r_t2_4 = 0.0_dp
115346 s_r_t_5 = 0.0_dp
115347 s_r_t2_5 = 0.0_dp
115348 s_r_t_6 = 0.0_dp
115349 s_r_t2_6 = 0.0_dp
115350 s_r_t_7 = 0.0_dp
115351 s_r_t2_7 = 0.0_dp
115352 s_r_t_8 = 0.0_dp
115353 s_r_t2_8 = 0.0_dp
115354 s_r_t_9 = 0.0_dp
115355 s_r_t2_9 = 0.0_dp
115356 s_r_t_10 = 0.0_dp
115357 s_r_t2_10 = 0.0_dp
115358 r_tmp = r_offset + r1*zeta/(zeta + zetb)
115359 rr2_delta = -r_tmp/dr
115360
115361 rr2_l = ceiling(-r_c(2) + rr2_delta)
115362 rr2_r = floor(r_c(2) + rr2_delta)
115363
115364 r = r_tmp + (rr2_l)*dr
115365
115366 exp2_2rdr = exp(-2*alpha*r*dr)
115367 exp2_rsq = exp(-alpha*r*r)
115368
115369 DO rr2 = rr2_l, rr2_r
115370 r_pow_t = 1.0_dp
115371 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
115372 r_pow_t = r_pow_t*r
115373 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
115374 r_pow_t = r_pow_t*r
115375 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
115376 r_pow_t = r_pow_t*r
115377 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
115378 r_pow_t = r_pow_t*r
115379 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
115380 r_pow_t = r_pow_t*r
115381 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
115382 r_pow_t = r_pow_t*r
115383 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
115384 r_pow_t = r_pow_t*r
115385 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
115386 r_pow_t = r_pow_t*r
115387 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
115388 r_pow_t = r_pow_t*r
115389 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
115390 r_pow_t = r_pow_t*r
115391 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
115392
115393 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
115394 exp2_2rdr = exp2_2rdr*exp_2drsq
115395 r = r + dr
115396 END DO
115397
115398 ! C --> H
115399 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
115400 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
115401 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
115402 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
115403 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
115404 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
115405 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
115406 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
115407 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
115408 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
115409 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
115410 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
115411 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
115412 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
115413 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
115414 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
115415 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
115416 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
115417 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
115418 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
115419 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
115420 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
115421 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
115422 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
115423 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
115424 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
115425 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
115426 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
115427 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
115428 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
115429 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
115430 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
115431 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
115432 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
115433 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
115434 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
115435 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
115436 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
115437 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
115438 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
115439 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
115440 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
115441 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
115442 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
115443 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
115444 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
115445 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
115446 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
115447 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
115448 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
115449 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
115450 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
115451 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
115452 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
115453 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
115454 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
115455 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
115456 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
115457 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
115458 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
115459 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
115460 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
115461 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
115462 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
115463 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
115464 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
115465
115466 ! H --> HH
115467 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
115468
115469 c1 = 1.0_dp/(zeta + zetb)
115470 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
115471 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
115472
115473 e_0_1_0 = zeta*( &
115474 +c2*e_0_0_0&
115475
115476 )
115477 e_0_0_1 = zetb*( &
115478 +c3*e_0_0_0&
115479
115480 )
115481 e_1_1_0 = zeta*( c1*e_0_0_0 &
115482
115483
115484 )
115485 e_1_0_1 = zetb*( c1*e_0_0_0 &
115486
115487
115488 )
115489 e_0_2_0 = zeta*( &
115490 +c2*e_0_1_0&
115491 +2*e_1_1_0 &
115492 -2*e_0_0_0)
115493 e_0_1_1 = zetb*( &
115494 +c3*e_0_1_0&
115495 +2*e_1_1_0 &
115496 )
115497 e_1_2_0 = zeta*( c1*e_0_1_0 &
115498 +c2*e_1_1_0&
115499
115500 )
115501 e_1_1_1 = zetb*( c1*e_0_1_0 &
115502 +c3*e_1_1_0&
115503
115504 )
115505 e_2_2_0 = zeta*( c1*e_1_1_0 &
115506
115507
115508 )
115509 e_2_1_1 = zetb*( c1*e_1_1_0 &
115510
115511
115512 )
115513 e_0_3_0 = zeta*( &
115514 +c2*e_0_2_0&
115515 +2*e_1_2_0 &
115516 -4*e_0_1_0)
115517 e_0_2_1 = zetb*( &
115518 +c3*e_0_2_0&
115519 +2*e_1_2_0 &
115520 )
115521 e_1_3_0 = zeta*( c1*e_0_2_0 &
115522 +c2*e_1_2_0&
115523 +4*e_2_2_0 &
115524 -4*e_1_1_0)
115525 e_1_2_1 = zetb*( c1*e_0_2_0 &
115526 +c3*e_1_2_0&
115527 +4*e_2_2_0 &
115528 )
115529 e_2_3_0 = zeta*( c1*e_1_2_0 &
115530 +c2*e_2_2_0&
115531
115532 )
115533 e_2_2_1 = zetb*( c1*e_1_2_0 &
115534 +c3*e_2_2_0&
115535
115536 )
115537 e_3_3_0 = zeta*( c1*e_2_2_0 &
115538
115539
115540 )
115541 e_3_2_1 = zetb*( c1*e_2_2_0 &
115542
115543
115544 )
115545 e_0_4_0 = zeta*( &
115546 +c2*e_0_3_0&
115547 +2*e_1_3_0 &
115548 -6*e_0_2_0)
115549 e_0_3_1 = zetb*( &
115550 +c3*e_0_3_0&
115551 +2*e_1_3_0 &
115552 )
115553 e_1_4_0 = zeta*( c1*e_0_3_0 &
115554 +c2*e_1_3_0&
115555 +4*e_2_3_0 &
115556 -6*e_1_2_0)
115557 e_1_3_1 = zetb*( c1*e_0_3_0 &
115558 +c3*e_1_3_0&
115559 +4*e_2_3_0 &
115560 )
115561 e_2_4_0 = zeta*( c1*e_1_3_0 &
115562 +c2*e_2_3_0&
115563 +6*e_3_3_0 &
115564 -6*e_2_2_0)
115565 e_2_3_1 = zetb*( c1*e_1_3_0 &
115566 +c3*e_2_3_0&
115567 +6*e_3_3_0 &
115568 )
115569 e_3_4_0 = zeta*( c1*e_2_3_0 &
115570 +c2*e_3_3_0&
115571
115572 )
115573 e_3_3_1 = zetb*( c1*e_2_3_0 &
115574 +c3*e_3_3_0&
115575
115576 )
115577 e_4_4_0 = zeta*( c1*e_3_3_0 &
115578
115579
115580 )
115581 e_4_3_1 = zetb*( c1*e_3_3_0 &
115582
115583
115584 )
115585 e_0_4_1 = zetb*( &
115586 +c3*e_0_4_0&
115587 +2*e_1_4_0 &
115588 )
115589 e_1_4_1 = zetb*( c1*e_0_4_0 &
115590 +c3*e_1_4_0&
115591 +4*e_2_4_0 &
115592 )
115593 e_2_4_1 = zetb*( c1*e_1_4_0 &
115594 +c3*e_2_4_0&
115595 +6*e_3_4_0 &
115596 )
115597 e_3_4_1 = zetb*( c1*e_2_4_0 &
115598 +c3*e_3_4_0&
115599 +8*e_4_4_0 &
115600 )
115601 e_4_4_1 = zetb*( c1*e_3_4_0 &
115602 +c3*e_4_4_0&
115603
115604 )
115605 e_5_4_1 = zetb*( c1*e_4_4_0 &
115606
115607
115608 )
115609 e_0_1_1 = zeta*( &
115610 +c2*e_0_0_1&
115611 +2*e_1_0_1 &
115612 )
115613 e_0_0_2 = zetb*( &
115614 +c3*e_0_0_1&
115615 +2*e_1_0_1 &
115616 -2*e_0_0_0)
115617 e_1_1_1 = zeta*( c1*e_0_0_1 &
115618 +c2*e_1_0_1&
115619
115620 )
115621 e_1_0_2 = zetb*( c1*e_0_0_1 &
115622 +c3*e_1_0_1&
115623
115624 )
115625 e_2_1_1 = zeta*( c1*e_1_0_1 &
115626
115627
115628 )
115629 e_2_0_2 = zetb*( c1*e_1_0_1 &
115630
115631
115632 )
115633 e_0_2_1 = zeta*( &
115634 +c2*e_0_1_1&
115635 +2*e_1_1_1 &
115636 -2*e_0_0_1)
115637 e_0_1_2 = zetb*( &
115638 +c3*e_0_1_1&
115639 +2*e_1_1_1 &
115640 -2*e_0_1_0)
115641 e_1_2_1 = zeta*( c1*e_0_1_1 &
115642 +c2*e_1_1_1&
115643 +4*e_2_1_1 &
115644 -2*e_1_0_1)
115645 e_1_1_2 = zetb*( c1*e_0_1_1 &
115646 +c3*e_1_1_1&
115647 +4*e_2_1_1 &
115648 -2*e_1_1_0)
115649 e_2_2_1 = zeta*( c1*e_1_1_1 &
115650 +c2*e_2_1_1&
115651
115652 )
115653 e_2_1_2 = zetb*( c1*e_1_1_1 &
115654 +c3*e_2_1_1&
115655
115656 )
115657 e_3_2_1 = zeta*( c1*e_2_1_1 &
115658
115659
115660 )
115661 e_3_1_2 = zetb*( c1*e_2_1_1 &
115662
115663
115664 )
115665 e_0_3_1 = zeta*( &
115666 +c2*e_0_2_1&
115667 +2*e_1_2_1 &
115668 -4*e_0_1_1)
115669 e_0_2_2 = zetb*( &
115670 +c3*e_0_2_1&
115671 +2*e_1_2_1 &
115672 -2*e_0_2_0)
115673 e_1_3_1 = zeta*( c1*e_0_2_1 &
115674 +c2*e_1_2_1&
115675 +4*e_2_2_1 &
115676 -4*e_1_1_1)
115677 e_1_2_2 = zetb*( c1*e_0_2_1 &
115678 +c3*e_1_2_1&
115679 +4*e_2_2_1 &
115680 -2*e_1_2_0)
115681 e_2_3_1 = zeta*( c1*e_1_2_1 &
115682 +c2*e_2_2_1&
115683 +6*e_3_2_1 &
115684 -4*e_2_1_1)
115685 e_2_2_2 = zetb*( c1*e_1_2_1 &
115686 +c3*e_2_2_1&
115687 +6*e_3_2_1 &
115688 -2*e_2_2_0)
115689 e_3_3_1 = zeta*( c1*e_2_2_1 &
115690 +c2*e_3_2_1&
115691
115692 )
115693 e_3_2_2 = zetb*( c1*e_2_2_1 &
115694 +c3*e_3_2_1&
115695
115696 )
115697 e_4_3_1 = zeta*( c1*e_3_2_1 &
115698
115699
115700 )
115701 e_4_2_2 = zetb*( c1*e_3_2_1 &
115702
115703
115704 )
115705 e_0_4_1 = zeta*( &
115706 +c2*e_0_3_1&
115707 +2*e_1_3_1 &
115708 -6*e_0_2_1)
115709 e_0_3_2 = zetb*( &
115710 +c3*e_0_3_1&
115711 +2*e_1_3_1 &
115712 -2*e_0_3_0)
115713 e_1_4_1 = zeta*( c1*e_0_3_1 &
115714 +c2*e_1_3_1&
115715 +4*e_2_3_1 &
115716 -6*e_1_2_1)
115717 e_1_3_2 = zetb*( c1*e_0_3_1 &
115718 +c3*e_1_3_1&
115719 +4*e_2_3_1 &
115720 -2*e_1_3_0)
115721 e_2_4_1 = zeta*( c1*e_1_3_1 &
115722 +c2*e_2_3_1&
115723 +6*e_3_3_1 &
115724 -6*e_2_2_1)
115725 e_2_3_2 = zetb*( c1*e_1_3_1 &
115726 +c3*e_2_3_1&
115727 +6*e_3_3_1 &
115728 -2*e_2_3_0)
115729 e_3_4_1 = zeta*( c1*e_2_3_1 &
115730 +c2*e_3_3_1&
115731 +8*e_4_3_1 &
115732 -6*e_3_2_1)
115733 e_3_3_2 = zetb*( c1*e_2_3_1 &
115734 +c3*e_3_3_1&
115735 +8*e_4_3_1 &
115736 -2*e_3_3_0)
115737 e_4_4_1 = zeta*( c1*e_3_3_1 &
115738 +c2*e_4_3_1&
115739
115740 )
115741 e_4_3_2 = zetb*( c1*e_3_3_1 &
115742 +c3*e_4_3_1&
115743
115744 )
115745 e_5_4_1 = zeta*( c1*e_4_3_1 &
115746
115747
115748 )
115749 e_5_3_2 = zetb*( c1*e_4_3_1 &
115750
115751
115752 )
115753 e_0_4_2 = zetb*( &
115754 +c3*e_0_4_1&
115755 +2*e_1_4_1 &
115756 -2*e_0_4_0)
115757 e_1_4_2 = zetb*( c1*e_0_4_1 &
115758 +c3*e_1_4_1&
115759 +4*e_2_4_1 &
115760 -2*e_1_4_0)
115761 e_2_4_2 = zetb*( c1*e_1_4_1 &
115762 +c3*e_2_4_1&
115763 +6*e_3_4_1 &
115764 -2*e_2_4_0)
115765 e_3_4_2 = zetb*( c1*e_2_4_1 &
115766 +c3*e_3_4_1&
115767 +8*e_4_4_1 &
115768 -2*e_3_4_0)
115769 e_4_4_2 = zetb*( c1*e_3_4_1 &
115770 +c3*e_4_4_1&
115771 +10*e_5_4_1 &
115772 -2*e_4_4_0)
115773 e_5_4_2 = zetb*( c1*e_4_4_1 &
115774 +c3*e_5_4_1&
115775
115776 )
115777 e_6_4_2 = zetb*( c1*e_5_4_1 &
115778
115779
115780 )
115781 e_0_1_2 = zeta*( &
115782 +c2*e_0_0_2&
115783 +2*e_1_0_2 &
115784 )
115785 e_0_0_3 = zetb*( &
115786 +c3*e_0_0_2&
115787 +2*e_1_0_2 &
115788 -4*e_0_0_1)
115789 e_1_1_2 = zeta*( c1*e_0_0_2 &
115790 +c2*e_1_0_2&
115791 +4*e_2_0_2 &
115792 )
115793 e_1_0_3 = zetb*( c1*e_0_0_2 &
115794 +c3*e_1_0_2&
115795 +4*e_2_0_2 &
115796 -4*e_1_0_1)
115797 e_2_1_2 = zeta*( c1*e_1_0_2 &
115798 +c2*e_2_0_2&
115799
115800 )
115801 e_2_0_3 = zetb*( c1*e_1_0_2 &
115802 +c3*e_2_0_2&
115803
115804 )
115805 e_3_1_2 = zeta*( c1*e_2_0_2 &
115806
115807
115808 )
115809 e_3_0_3 = zetb*( c1*e_2_0_2 &
115810
115811
115812 )
115813 e_0_2_2 = zeta*( &
115814 +c2*e_0_1_2&
115815 +2*e_1_1_2 &
115816 -2*e_0_0_2)
115817 e_0_1_3 = zetb*( &
115818 +c3*e_0_1_2&
115819 +2*e_1_1_2 &
115820 -4*e_0_1_1)
115821 e_1_2_2 = zeta*( c1*e_0_1_2 &
115822 +c2*e_1_1_2&
115823 +4*e_2_1_2 &
115824 -2*e_1_0_2)
115825 e_1_1_3 = zetb*( c1*e_0_1_2 &
115826 +c3*e_1_1_2&
115827 +4*e_2_1_2 &
115828 -4*e_1_1_1)
115829 e_2_2_2 = zeta*( c1*e_1_1_2 &
115830 +c2*e_2_1_2&
115831 +6*e_3_1_2 &
115832 -2*e_2_0_2)
115833 e_2_1_3 = zetb*( c1*e_1_1_2 &
115834 +c3*e_2_1_2&
115835 +6*e_3_1_2 &
115836 -4*e_2_1_1)
115837 e_3_2_2 = zeta*( c1*e_2_1_2 &
115838 +c2*e_3_1_2&
115839
115840 )
115841 e_3_1_3 = zetb*( c1*e_2_1_2 &
115842 +c3*e_3_1_2&
115843
115844 )
115845 e_4_2_2 = zeta*( c1*e_3_1_2 &
115846
115847
115848 )
115849 e_4_1_3 = zetb*( c1*e_3_1_2 &
115850
115851
115852 )
115853 e_0_3_2 = zeta*( &
115854 +c2*e_0_2_2&
115855 +2*e_1_2_2 &
115856 -4*e_0_1_2)
115857 e_0_2_3 = zetb*( &
115858 +c3*e_0_2_2&
115859 +2*e_1_2_2 &
115860 -4*e_0_2_1)
115861 e_1_3_2 = zeta*( c1*e_0_2_2 &
115862 +c2*e_1_2_2&
115863 +4*e_2_2_2 &
115864 -4*e_1_1_2)
115865 e_1_2_3 = zetb*( c1*e_0_2_2 &
115866 +c3*e_1_2_2&
115867 +4*e_2_2_2 &
115868 -4*e_1_2_1)
115869 e_2_3_2 = zeta*( c1*e_1_2_2 &
115870 +c2*e_2_2_2&
115871 +6*e_3_2_2 &
115872 -4*e_2_1_2)
115873 e_2_2_3 = zetb*( c1*e_1_2_2 &
115874 +c3*e_2_2_2&
115875 +6*e_3_2_2 &
115876 -4*e_2_2_1)
115877 e_3_3_2 = zeta*( c1*e_2_2_2 &
115878 +c2*e_3_2_2&
115879 +8*e_4_2_2 &
115880 -4*e_3_1_2)
115881 e_3_2_3 = zetb*( c1*e_2_2_2 &
115882 +c3*e_3_2_2&
115883 +8*e_4_2_2 &
115884 -4*e_3_2_1)
115885 e_4_3_2 = zeta*( c1*e_3_2_2 &
115886 +c2*e_4_2_2&
115887
115888 )
115889 e_4_2_3 = zetb*( c1*e_3_2_2 &
115890 +c3*e_4_2_2&
115891
115892 )
115893 e_5_3_2 = zeta*( c1*e_4_2_2 &
115894
115895
115896 )
115897 e_5_2_3 = zetb*( c1*e_4_2_2 &
115898
115899
115900 )
115901 e_0_4_2 = zeta*( &
115902 +c2*e_0_3_2&
115903 +2*e_1_3_2 &
115904 -6*e_0_2_2)
115905 e_0_3_3 = zetb*( &
115906 +c3*e_0_3_2&
115907 +2*e_1_3_2 &
115908 -4*e_0_3_1)
115909 e_1_4_2 = zeta*( c1*e_0_3_2 &
115910 +c2*e_1_3_2&
115911 +4*e_2_3_2 &
115912 -6*e_1_2_2)
115913 e_1_3_3 = zetb*( c1*e_0_3_2 &
115914 +c3*e_1_3_2&
115915 +4*e_2_3_2 &
115916 -4*e_1_3_1)
115917 e_2_4_2 = zeta*( c1*e_1_3_2 &
115918 +c2*e_2_3_2&
115919 +6*e_3_3_2 &
115920 -6*e_2_2_2)
115921 e_2_3_3 = zetb*( c1*e_1_3_2 &
115922 +c3*e_2_3_2&
115923 +6*e_3_3_2 &
115924 -4*e_2_3_1)
115925 e_3_4_2 = zeta*( c1*e_2_3_2 &
115926 +c2*e_3_3_2&
115927 +8*e_4_3_2 &
115928 -6*e_3_2_2)
115929 e_3_3_3 = zetb*( c1*e_2_3_2 &
115930 +c3*e_3_3_2&
115931 +8*e_4_3_2 &
115932 -4*e_3_3_1)
115933 e_4_4_2 = zeta*( c1*e_3_3_2 &
115934 +c2*e_4_3_2&
115935 +10*e_5_3_2 &
115936 -6*e_4_2_2)
115937 e_4_3_3 = zetb*( c1*e_3_3_2 &
115938 +c3*e_4_3_2&
115939 +10*e_5_3_2 &
115940 -4*e_4_3_1)
115941 e_5_4_2 = zeta*( c1*e_4_3_2 &
115942 +c2*e_5_3_2&
115943
115944 )
115945 e_5_3_3 = zetb*( c1*e_4_3_2 &
115946 +c3*e_5_3_2&
115947
115948 )
115949 e_6_4_2 = zeta*( c1*e_5_3_2 &
115950
115951
115952 )
115953 e_6_3_3 = zetb*( c1*e_5_3_2 &
115954
115955
115956 )
115957 e_0_4_3 = zetb*( &
115958 +c3*e_0_4_2&
115959 +2*e_1_4_2 &
115960 -4*e_0_4_1)
115961 e_1_4_3 = zetb*( c1*e_0_4_2 &
115962 +c3*e_1_4_2&
115963 +4*e_2_4_2 &
115964 -4*e_1_4_1)
115965 e_2_4_3 = zetb*( c1*e_1_4_2 &
115966 +c3*e_2_4_2&
115967 +6*e_3_4_2 &
115968 -4*e_2_4_1)
115969 e_3_4_3 = zetb*( c1*e_2_4_2 &
115970 +c3*e_3_4_2&
115971 +8*e_4_4_2 &
115972 -4*e_3_4_1)
115973 e_4_4_3 = zetb*( c1*e_3_4_2 &
115974 +c3*e_4_4_2&
115975 +10*e_5_4_2 &
115976 -4*e_4_4_1)
115977 e_5_4_3 = zetb*( c1*e_4_4_2 &
115978 +c3*e_5_4_2&
115979 +12*e_6_4_2 &
115980 -4*e_5_4_1)
115981 e_6_4_3 = zetb*( c1*e_5_4_2 &
115982 +c3*e_6_4_2&
115983
115984 )
115985 e_7_4_3 = zetb*( c1*e_6_4_2 &
115986
115987
115988 )
115989 e_0_1_3 = zeta*( &
115990 +c2*e_0_0_3&
115991 +2*e_1_0_3 &
115992 )
115993 e_0_0_4 = zetb*( &
115994 +c3*e_0_0_3&
115995 +2*e_1_0_3 &
115996 -6*e_0_0_2)
115997 e_1_1_3 = zeta*( c1*e_0_0_3 &
115998 +c2*e_1_0_3&
115999 +4*e_2_0_3 &
116000 )
116001 e_1_0_4 = zetb*( c1*e_0_0_3 &
116002 +c3*e_1_0_3&
116003 +4*e_2_0_3 &
116004 -6*e_1_0_2)
116005 e_2_1_3 = zeta*( c1*e_1_0_3 &
116006 +c2*e_2_0_3&
116007 +6*e_3_0_3 &
116008 )
116009 e_2_0_4 = zetb*( c1*e_1_0_3 &
116010 +c3*e_2_0_3&
116011 +6*e_3_0_3 &
116012 -6*e_2_0_2)
116013 e_3_1_3 = zeta*( c1*e_2_0_3 &
116014 +c2*e_3_0_3&
116015
116016 )
116017 e_3_0_4 = zetb*( c1*e_2_0_3 &
116018 +c3*e_3_0_3&
116019
116020 )
116021 e_4_1_3 = zeta*( c1*e_3_0_3 &
116022
116023
116024 )
116025 e_4_0_4 = zetb*( c1*e_3_0_3 &
116026
116027
116028 )
116029 e_0_2_3 = zeta*( &
116030 +c2*e_0_1_3&
116031 +2*e_1_1_3 &
116032 -2*e_0_0_3)
116033 e_0_1_4 = zetb*( &
116034 +c3*e_0_1_3&
116035 +2*e_1_1_3 &
116036 -6*e_0_1_2)
116037 e_1_2_3 = zeta*( c1*e_0_1_3 &
116038 +c2*e_1_1_3&
116039 +4*e_2_1_3 &
116040 -2*e_1_0_3)
116041 e_1_1_4 = zetb*( c1*e_0_1_3 &
116042 +c3*e_1_1_3&
116043 +4*e_2_1_3 &
116044 -6*e_1_1_2)
116045 e_2_2_3 = zeta*( c1*e_1_1_3 &
116046 +c2*e_2_1_3&
116047 +6*e_3_1_3 &
116048 -2*e_2_0_3)
116049 e_2_1_4 = zetb*( c1*e_1_1_3 &
116050 +c3*e_2_1_3&
116051 +6*e_3_1_3 &
116052 -6*e_2_1_2)
116053 e_3_2_3 = zeta*( c1*e_2_1_3 &
116054 +c2*e_3_1_3&
116055 +8*e_4_1_3 &
116056 -2*e_3_0_3)
116057 e_3_1_4 = zetb*( c1*e_2_1_3 &
116058 +c3*e_3_1_3&
116059 +8*e_4_1_3 &
116060 -6*e_3_1_2)
116061 e_4_2_3 = zeta*( c1*e_3_1_3 &
116062 +c2*e_4_1_3&
116063
116064 )
116065 e_4_1_4 = zetb*( c1*e_3_1_3 &
116066 +c3*e_4_1_3&
116067
116068 )
116069 e_5_2_3 = zeta*( c1*e_4_1_3 &
116070
116071
116072 )
116073 e_5_1_4 = zetb*( c1*e_4_1_3 &
116074
116075
116076 )
116077 e_0_3_3 = zeta*( &
116078 +c2*e_0_2_3&
116079 +2*e_1_2_3 &
116080 -4*e_0_1_3)
116081 e_0_2_4 = zetb*( &
116082 +c3*e_0_2_3&
116083 +2*e_1_2_3 &
116084 -6*e_0_2_2)
116085 e_1_3_3 = zeta*( c1*e_0_2_3 &
116086 +c2*e_1_2_3&
116087 +4*e_2_2_3 &
116088 -4*e_1_1_3)
116089 e_1_2_4 = zetb*( c1*e_0_2_3 &
116090 +c3*e_1_2_3&
116091 +4*e_2_2_3 &
116092 -6*e_1_2_2)
116093 e_2_3_3 = zeta*( c1*e_1_2_3 &
116094 +c2*e_2_2_3&
116095 +6*e_3_2_3 &
116096 -4*e_2_1_3)
116097 e_2_2_4 = zetb*( c1*e_1_2_3 &
116098 +c3*e_2_2_3&
116099 +6*e_3_2_3 &
116100 -6*e_2_2_2)
116101 e_3_3_3 = zeta*( c1*e_2_2_3 &
116102 +c2*e_3_2_3&
116103 +8*e_4_2_3 &
116104 -4*e_3_1_3)
116105 e_3_2_4 = zetb*( c1*e_2_2_3 &
116106 +c3*e_3_2_3&
116107 +8*e_4_2_3 &
116108 -6*e_3_2_2)
116109 e_4_3_3 = zeta*( c1*e_3_2_3 &
116110 +c2*e_4_2_3&
116111 +10*e_5_2_3 &
116112 -4*e_4_1_3)
116113 e_4_2_4 = zetb*( c1*e_3_2_3 &
116114 +c3*e_4_2_3&
116115 +10*e_5_2_3 &
116116 -6*e_4_2_2)
116117 e_5_3_3 = zeta*( c1*e_4_2_3 &
116118 +c2*e_5_2_3&
116119
116120 )
116121 e_5_2_4 = zetb*( c1*e_4_2_3 &
116122 +c3*e_5_2_3&
116123
116124 )
116125 e_6_3_3 = zeta*( c1*e_5_2_3 &
116126
116127
116128 )
116129 e_6_2_4 = zetb*( c1*e_5_2_3 &
116130
116131
116132 )
116133 e_0_4_3 = zeta*( &
116134 +c2*e_0_3_3&
116135 +2*e_1_3_3 &
116136 -6*e_0_2_3)
116137 e_0_3_4 = zetb*( &
116138 +c3*e_0_3_3&
116139 +2*e_1_3_3 &
116140 -6*e_0_3_2)
116141 e_1_4_3 = zeta*( c1*e_0_3_3 &
116142 +c2*e_1_3_3&
116143 +4*e_2_3_3 &
116144 -6*e_1_2_3)
116145 e_1_3_4 = zetb*( c1*e_0_3_3 &
116146 +c3*e_1_3_3&
116147 +4*e_2_3_3 &
116148 -6*e_1_3_2)
116149 e_2_4_3 = zeta*( c1*e_1_3_3 &
116150 +c2*e_2_3_3&
116151 +6*e_3_3_3 &
116152 -6*e_2_2_3)
116153 e_2_3_4 = zetb*( c1*e_1_3_3 &
116154 +c3*e_2_3_3&
116155 +6*e_3_3_3 &
116156 -6*e_2_3_2)
116157 e_3_4_3 = zeta*( c1*e_2_3_3 &
116158 +c2*e_3_3_3&
116159 +8*e_4_3_3 &
116160 -6*e_3_2_3)
116161 e_3_3_4 = zetb*( c1*e_2_3_3 &
116162 +c3*e_3_3_3&
116163 +8*e_4_3_3 &
116164 -6*e_3_3_2)
116165 e_4_4_3 = zeta*( c1*e_3_3_3 &
116166 +c2*e_4_3_3&
116167 +10*e_5_3_3 &
116168 -6*e_4_2_3)
116169 e_4_3_4 = zetb*( c1*e_3_3_3 &
116170 +c3*e_4_3_3&
116171 +10*e_5_3_3 &
116172 -6*e_4_3_2)
116173 e_5_4_3 = zeta*( c1*e_4_3_3 &
116174 +c2*e_5_3_3&
116175 +12*e_6_3_3 &
116176 -6*e_5_2_3)
116177 e_5_3_4 = zetb*( c1*e_4_3_3 &
116178 +c3*e_5_3_3&
116179 +12*e_6_3_3 &
116180 -6*e_5_3_2)
116181 e_6_4_3 = zeta*( c1*e_5_3_3 &
116182 +c2*e_6_3_3&
116183
116184 )
116185 e_6_3_4 = zetb*( c1*e_5_3_3 &
116186 +c3*e_6_3_3&
116187
116188 )
116189 e_7_4_3 = zeta*( c1*e_6_3_3 &
116190
116191
116192 )
116193 e_7_3_4 = zetb*( c1*e_6_3_3 &
116194
116195
116196 )
116197 e_0_4_4 = zetb*( &
116198 +c3*e_0_4_3&
116199 +2*e_1_4_3 &
116200 -6*e_0_4_2)
116201 e_1_4_4 = zetb*( c1*e_0_4_3 &
116202 +c3*e_1_4_3&
116203 +4*e_2_4_3 &
116204 -6*e_1_4_2)
116205 e_2_4_4 = zetb*( c1*e_1_4_3 &
116206 +c3*e_2_4_3&
116207 +6*e_3_4_3 &
116208 -6*e_2_4_2)
116209 e_3_4_4 = zetb*( c1*e_2_4_3 &
116210 +c3*e_3_4_3&
116211 +8*e_4_4_3 &
116212 -6*e_3_4_2)
116213 e_4_4_4 = zetb*( c1*e_3_4_3 &
116214 +c3*e_4_4_3&
116215 +10*e_5_4_3 &
116216 -6*e_4_4_2)
116217 e_5_4_4 = zetb*( c1*e_4_4_3 &
116218 +c3*e_5_4_3&
116219 +12*e_6_4_3 &
116220 -6*e_5_4_2)
116221 e_6_4_4 = zetb*( c1*e_5_4_3 &
116222 +c3*e_6_4_3&
116223 +14*e_7_4_3 &
116224 -6*e_6_4_2)
116225 e_7_4_4 = zetb*( c1*e_6_4_3 &
116226 +c3*e_7_4_3&
116227
116228 )
116229 e_8_4_4 = zetb*( c1*e_7_4_3 &
116230
116231
116232 )
116233 e_0_1_4 = zeta*( &
116234 +c2*e_0_0_4&
116235 +2*e_1_0_4 &
116236 )
116237 e_1_1_4 = zeta*( c1*e_0_0_4 &
116238 +c2*e_1_0_4&
116239 +4*e_2_0_4 &
116240 )
116241 e_2_1_4 = zeta*( c1*e_1_0_4 &
116242 +c2*e_2_0_4&
116243 +6*e_3_0_4 &
116244 )
116245 e_3_1_4 = zeta*( c1*e_2_0_4 &
116246 +c2*e_3_0_4&
116247 +8*e_4_0_4 &
116248 )
116249 e_4_1_4 = zeta*( c1*e_3_0_4 &
116250 +c2*e_4_0_4&
116251
116252 )
116253 e_5_1_4 = zeta*( c1*e_4_0_4 &
116254
116255
116256 )
116257 e_0_2_4 = zeta*( &
116258 +c2*e_0_1_4&
116259 +2*e_1_1_4 &
116260 -2*e_0_0_4)
116261 e_1_2_4 = zeta*( c1*e_0_1_4 &
116262 +c2*e_1_1_4&
116263 +4*e_2_1_4 &
116264 -2*e_1_0_4)
116265 e_2_2_4 = zeta*( c1*e_1_1_4 &
116266 +c2*e_2_1_4&
116267 +6*e_3_1_4 &
116268 -2*e_2_0_4)
116269 e_3_2_4 = zeta*( c1*e_2_1_4 &
116270 +c2*e_3_1_4&
116271 +8*e_4_1_4 &
116272 -2*e_3_0_4)
116273 e_4_2_4 = zeta*( c1*e_3_1_4 &
116274 +c2*e_4_1_4&
116275 +10*e_5_1_4 &
116276 -2*e_4_0_4)
116277 e_5_2_4 = zeta*( c1*e_4_1_4 &
116278 +c2*e_5_1_4&
116279
116280 )
116281 e_6_2_4 = zeta*( c1*e_5_1_4 &
116282
116283
116284 )
116285 e_0_3_4 = zeta*( &
116286 +c2*e_0_2_4&
116287 +2*e_1_2_4 &
116288 -4*e_0_1_4)
116289 e_1_3_4 = zeta*( c1*e_0_2_4 &
116290 +c2*e_1_2_4&
116291 +4*e_2_2_4 &
116292 -4*e_1_1_4)
116293 e_2_3_4 = zeta*( c1*e_1_2_4 &
116294 +c2*e_2_2_4&
116295 +6*e_3_2_4 &
116296 -4*e_2_1_4)
116297 e_3_3_4 = zeta*( c1*e_2_2_4 &
116298 +c2*e_3_2_4&
116299 +8*e_4_2_4 &
116300 -4*e_3_1_4)
116301 e_4_3_4 = zeta*( c1*e_3_2_4 &
116302 +c2*e_4_2_4&
116303 +10*e_5_2_4 &
116304 -4*e_4_1_4)
116305 e_5_3_4 = zeta*( c1*e_4_2_4 &
116306 +c2*e_5_2_4&
116307 +12*e_6_2_4 &
116308 -4*e_5_1_4)
116309 e_6_3_4 = zeta*( c1*e_5_2_4 &
116310 +c2*e_6_2_4&
116311
116312 )
116313 e_7_3_4 = zeta*( c1*e_6_2_4 &
116314
116315
116316 )
116317 e_0_4_4 = zeta*( &
116318 +c2*e_0_3_4&
116319 +2*e_1_3_4 &
116320 -6*e_0_2_4)
116321 e_1_4_4 = zeta*( c1*e_0_3_4 &
116322 +c2*e_1_3_4&
116323 +4*e_2_3_4 &
116324 -6*e_1_2_4)
116325 e_2_4_4 = zeta*( c1*e_1_3_4 &
116326 +c2*e_2_3_4&
116327 +6*e_3_3_4 &
116328 -6*e_2_2_4)
116329 e_3_4_4 = zeta*( c1*e_2_3_4 &
116330 +c2*e_3_3_4&
116331 +8*e_4_3_4 &
116332 -6*e_3_2_4)
116333 e_4_4_4 = zeta*( c1*e_3_3_4 &
116334 +c2*e_4_3_4&
116335 +10*e_5_3_4 &
116336 -6*e_4_2_4)
116337 e_5_4_4 = zeta*( c1*e_4_3_4 &
116338 +c2*e_5_3_4&
116339 +12*e_6_3_4 &
116340 -6*e_5_2_4)
116341 e_6_4_4 = zeta*( c1*e_5_3_4 &
116342 +c2*e_6_3_4&
116343 +14*e_7_3_4 &
116344 -6*e_6_2_4)
116345 e_7_4_4 = zeta*( c1*e_6_3_4 &
116346 +c2*e_7_3_4&
116347
116348 )
116349 e_8_4_4 = zeta*( c1*e_7_3_4 &
116350
116351
116352 )
116353
116354 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
116355 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
116356 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
116357 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
116358 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
116359 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
116360 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
116361 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
116362 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
116363 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
116364 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
116365 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
116366 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
116367 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
116368 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
116369 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
116370 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
116371 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
116372 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
116373 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
116374 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
116375 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
116376 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
116377 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
116378 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
116379 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
116380 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
116381 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
116382 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
116383 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
116384 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
116385 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
116386 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
116387 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
116388 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
116389 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
116390 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
116391 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
116392 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
116393 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
116394 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
116395 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
116396 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
116397 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
116398 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
116399 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
116400 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
116401 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
116402 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
116403 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
116404 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
116405 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
116406 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
116407 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
116408 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
116409 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
116410 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
116411 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
116412 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
116413 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
116414 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
116415 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
116416 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
116417 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
116418 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
116419 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
116420 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
116421 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
116422 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
116423 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
116424 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
116425 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
116426 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
116427 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
116428 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
116429 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
116430 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
116431 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
116432 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
116433 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
116434 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
116435 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
116436 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
116437 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
116438 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
116439 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
116440 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
116441 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
116442 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
116443 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
116444 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
116445 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
116446 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
116447 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
116448 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
116449 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
116450 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
116451 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
116452 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
116453 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
116454 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
116455 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
116456 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
116457 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
116458 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
116459 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
116460 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
116461 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
116462 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
116463 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
116464 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
116465 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
116466 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
116467 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
116468 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
116469 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
116470 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
116471 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
116472 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
116473 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
116474 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
116475 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
116476 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
116477 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
116478 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
116479 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
116480 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
116481 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
116482 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
116483 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
116484 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
116485 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
116486 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
116487 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
116488 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
116489 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
116490 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
116491 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
116492 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
116493 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
116494 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
116495 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
116496 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
116497 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
116498 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
116499 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
116500 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
116501 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
116502 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
116503 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
116504 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
116505 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
116506 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
116507 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
116508 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
116509 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
116510 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
116511 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
116512 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
116513 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
116514 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
116515 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
116516 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
116517 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
116518 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
116519 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
116520 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
116521 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
116522 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
116523 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
116524 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
116525 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
116526 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
116527 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
116528 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
116529 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
116530 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
116531 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
116532 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
116533 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
116534 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
116535 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
116536 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
116537 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
116538 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
116539 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
116540 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
116541 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
116542 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
116543 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
116544 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
116545 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
116546 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
116547 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
116548 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
116549 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
116550 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
116551 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
116552 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
116553 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
116554 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
116555 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
116556 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
116557 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
116558 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
116559 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
116560 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
116561 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
116562 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
116563 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
116564 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
116565 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
116566 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
116567 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
116568 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
116569 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
116570 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
116571 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
116572 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
116573 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
116574 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
116575 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
116576 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
116577 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
116578 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
116579 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
116580 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
116581 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
116582 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
116583 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
116584 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
116585 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
116586 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
116587 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
116588 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
116589 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
116590 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
116591 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
116592 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
116593 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
116594 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
116595 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
116596 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
116597 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
116598 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
116599 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
116600 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
116601 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
116602 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
116603 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
116604 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
116605 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
116606 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
116607 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
116608 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
116609 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
116610 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
116611 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
116612 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
116613 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
116614 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
116615 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
116616 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
116617 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
116618 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
116619 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
116620 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
116621 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
116622 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
116623 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
116624 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
116625 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
116626 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
116627 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
116628 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
116629 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
116630 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
116631 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
116632 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
116633 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
116634 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
116635 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
116636 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
116637 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
116638 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
116639 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
116640 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
116641 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
116642 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
116643 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
116644 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
116645 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
116646 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
116647 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
116648 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
116649 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
116650 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
116651 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
116652 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
116653 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
116654 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
116655 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
116656 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
116657 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
116658 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
116659 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
116660 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
116661 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
116662 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
116663 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
116664 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
116665 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
116666 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
116667 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
116668 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
116669 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
116670 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
116671 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
116672 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
116673 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
116674 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
116675 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
116676 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
116677 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
116678 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
116679 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
116680 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
116681 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
116682 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
116683 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
116684 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
116685 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
116686 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
116687 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
116688 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
116689 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
116690 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
116691 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
116692 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
116693 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
116694 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
116695 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
116696 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
116697 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
116698 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
116699 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
116700 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
116701 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
116702 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
116703 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
116704 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
116705 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
116706 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
116707 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
116708 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
116709 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
116710 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
116711 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
116712 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
116713 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
116714 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
116715 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
116716 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
116717 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
116718 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
116719 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
116720 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
116721 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
116722 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
116723 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
116724 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
116725 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
116726 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
116727 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
116728 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
116729 r1 = r1 + dr
116730 END DO
116731
116732 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
116733 END SUBROUTINE
116734 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_3_exp_1 ( &
116735 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
116736 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
116737 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
116738 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
116739 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
116740 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
116741 r_pow_t, r_tmp, rr1_delta, rr2_delta
116742
116743 REAL(kind=dp) :: c1, c2, c3
116744 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
116745 & s_r_t_10, s_r_t_11
116746 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
116747 & s_r_t2_9, s_r_t2_10, s_r_t2_11
116748 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
116749 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
116750 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
116751 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
116752 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
116753 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
116754 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
116755 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
116756 & h_to_c_10_11, h_to_c_11_11
116757 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
116758 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
116759 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
116760 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
116761 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
116762 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
116763 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
116764 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
116765 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
116766 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
116767
116768 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
116769
116770 dr = lgth
116771 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
116772
116773 s_r(:, :, :) = 0.0_dp
116774
116775 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
116776
116777 h_to_c_0_0 = sqrt(alpha/pi)
116778
116779 h_to_c_0_1 = 0.0_dp
116780 h_to_c_1_1 = +2*alpha*h_to_c_0_0
116781 h_to_c_0_2 = -1*h_to_c_1_1
116782 h_to_c_1_2 = +2*alpha*h_to_c_0_1
116783 h_to_c_2_2 = +2*alpha*h_to_c_1_1
116784 h_to_c_0_3 = -1*h_to_c_1_2
116785 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
116786 h_to_c_2_3 = +2*alpha*h_to_c_1_2
116787 h_to_c_3_3 = +2*alpha*h_to_c_2_2
116788 h_to_c_0_4 = -1*h_to_c_1_3
116789 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
116790 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
116791 h_to_c_3_4 = +2*alpha*h_to_c_2_3
116792 h_to_c_4_4 = +2*alpha*h_to_c_3_3
116793 h_to_c_0_5 = -1*h_to_c_1_4
116794 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
116795 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
116796 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
116797 h_to_c_4_5 = +2*alpha*h_to_c_3_4
116798 h_to_c_5_5 = +2*alpha*h_to_c_4_4
116799 h_to_c_0_6 = -1*h_to_c_1_5
116800 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
116801 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
116802 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
116803 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
116804 h_to_c_5_6 = +2*alpha*h_to_c_4_5
116805 h_to_c_6_6 = +2*alpha*h_to_c_5_5
116806 h_to_c_0_7 = -1*h_to_c_1_6
116807 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
116808 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
116809 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
116810 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
116811 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
116812 h_to_c_6_7 = +2*alpha*h_to_c_5_6
116813 h_to_c_7_7 = +2*alpha*h_to_c_6_6
116814 h_to_c_0_8 = -1*h_to_c_1_7
116815 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
116816 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
116817 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
116818 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
116819 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
116820 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
116821 h_to_c_7_8 = +2*alpha*h_to_c_6_7
116822 h_to_c_8_8 = +2*alpha*h_to_c_7_7
116823 h_to_c_0_9 = -1*h_to_c_1_8
116824 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
116825 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
116826 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
116827 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
116828 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
116829 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
116830 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
116831 h_to_c_8_9 = +2*alpha*h_to_c_7_8
116832 h_to_c_9_9 = +2*alpha*h_to_c_8_8
116833 h_to_c_0_10 = -1*h_to_c_1_9
116834 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
116835 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
116836 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
116837 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
116838 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
116839 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
116840 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
116841 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
116842 h_to_c_9_10 = +2*alpha*h_to_c_8_9
116843 h_to_c_10_10 = +2*alpha*h_to_c_9_9
116844 h_to_c_0_11 = -1*h_to_c_1_10
116845 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
116846 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
116847 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
116848 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
116849 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
116850 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
116851 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
116852 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
116853 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
116854 h_to_c_10_11 = +2*alpha*h_to_c_9_10
116855 h_to_c_11_11 = +2*alpha*h_to_c_10_10
116856
116857 exp_drsq = exp(-alpha*dr*dr)
116858 exp_2drsq = exp_drsq*exp_drsq
116859
116860 rr1_delta = (ra - rb)/dr
116861
116862 rr1_l = ceiling(-r_c(1) + rr1_delta)
116863 rr1_r = floor(r_c(1) + rr1_delta)
116864
116865 r1 = rr1_l*dr
116866
116867 alpha_e = zeta*zetb/(zeta + zetb)
116868
116869 DO rr1 = rr1_l, rr1_r
116870 s_r_t_0 = 0.0_dp
116871 s_r_t2_0 = 0.0_dp
116872 s_r_t_1 = 0.0_dp
116873 s_r_t2_1 = 0.0_dp
116874 s_r_t_2 = 0.0_dp
116875 s_r_t2_2 = 0.0_dp
116876 s_r_t_3 = 0.0_dp
116877 s_r_t2_3 = 0.0_dp
116878 s_r_t_4 = 0.0_dp
116879 s_r_t2_4 = 0.0_dp
116880 s_r_t_5 = 0.0_dp
116881 s_r_t2_5 = 0.0_dp
116882 s_r_t_6 = 0.0_dp
116883 s_r_t2_6 = 0.0_dp
116884 s_r_t_7 = 0.0_dp
116885 s_r_t2_7 = 0.0_dp
116886 s_r_t_8 = 0.0_dp
116887 s_r_t2_8 = 0.0_dp
116888 s_r_t_9 = 0.0_dp
116889 s_r_t2_9 = 0.0_dp
116890 s_r_t_10 = 0.0_dp
116891 s_r_t2_10 = 0.0_dp
116892 s_r_t_11 = 0.0_dp
116893 s_r_t2_11 = 0.0_dp
116894 r_tmp = r_offset + r1*zeta/(zeta + zetb)
116895 rr2_delta = -r_tmp/dr
116896
116897 rr2_l = ceiling(-r_c(2) + rr2_delta)
116898 rr2_r = floor(r_c(2) + rr2_delta)
116899
116900 r = r_tmp + (rr2_l)*dr
116901
116902 exp2_2rdr = exp(-2*alpha*r*dr)
116903 exp2_rsq = exp(-alpha*r*r)
116904
116905 DO rr2 = rr2_l, rr2_r
116906 r_pow_t = 1.0_dp
116907 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
116908 r_pow_t = r_pow_t*r
116909 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
116910 r_pow_t = r_pow_t*r
116911 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
116912 r_pow_t = r_pow_t*r
116913 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
116914 r_pow_t = r_pow_t*r
116915 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
116916 r_pow_t = r_pow_t*r
116917 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
116918 r_pow_t = r_pow_t*r
116919 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
116920 r_pow_t = r_pow_t*r
116921 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
116922 r_pow_t = r_pow_t*r
116923 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
116924 r_pow_t = r_pow_t*r
116925 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
116926 r_pow_t = r_pow_t*r
116927 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
116928 r_pow_t = r_pow_t*r
116929 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
116930
116931 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
116932 exp2_2rdr = exp2_2rdr*exp_2drsq
116933 r = r + dr
116934 END DO
116935
116936 ! C --> H
116937 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
116938 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
116939 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
116940 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
116941 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
116942 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
116943 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
116944 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
116945 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
116946 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
116947 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
116948 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
116949 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
116950 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
116951 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
116952 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
116953 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
116954 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
116955 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
116956 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
116957 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
116958 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
116959 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
116960 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
116961 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
116962 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
116963 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
116964 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
116965 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
116966 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
116967 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
116968 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
116969 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
116970 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
116971 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
116972 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
116973 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
116974 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
116975 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
116976 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
116977 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
116978 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
116979 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
116980 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
116981 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
116982 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
116983 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
116984 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
116985 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
116986 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
116987 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
116988 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
116989 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
116990 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
116991 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
116992 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
116993 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
116994 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
116995 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
116996 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
116997 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
116998 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
116999 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
117000 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
117001 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
117002 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
117003 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
117004 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
117005 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
117006 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
117007 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
117008 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
117009 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
117010 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
117011 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
117012 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
117013 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
117014 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
117015
117016 ! H --> HH
117017 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
117018
117019 c1 = 1.0_dp/(zeta + zetb)
117020 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
117021 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
117022
117023 e_0_1_0 = zeta*( &
117024 +c2*e_0_0_0&
117025
117026 )
117027 e_0_0_1 = zetb*( &
117028 +c3*e_0_0_0&
117029
117030 )
117031 e_1_1_0 = zeta*( c1*e_0_0_0 &
117032
117033
117034 )
117035 e_1_0_1 = zetb*( c1*e_0_0_0 &
117036
117037
117038 )
117039 e_0_2_0 = zeta*( &
117040 +c2*e_0_1_0&
117041 +2*e_1_1_0 &
117042 -2*e_0_0_0)
117043 e_0_1_1 = zetb*( &
117044 +c3*e_0_1_0&
117045 +2*e_1_1_0 &
117046 )
117047 e_1_2_0 = zeta*( c1*e_0_1_0 &
117048 +c2*e_1_1_0&
117049
117050 )
117051 e_1_1_1 = zetb*( c1*e_0_1_0 &
117052 +c3*e_1_1_0&
117053
117054 )
117055 e_2_2_0 = zeta*( c1*e_1_1_0 &
117056
117057
117058 )
117059 e_2_1_1 = zetb*( c1*e_1_1_0 &
117060
117061
117062 )
117063 e_0_3_0 = zeta*( &
117064 +c2*e_0_2_0&
117065 +2*e_1_2_0 &
117066 -4*e_0_1_0)
117067 e_0_2_1 = zetb*( &
117068 +c3*e_0_2_0&
117069 +2*e_1_2_0 &
117070 )
117071 e_1_3_0 = zeta*( c1*e_0_2_0 &
117072 +c2*e_1_2_0&
117073 +4*e_2_2_0 &
117074 -4*e_1_1_0)
117075 e_1_2_1 = zetb*( c1*e_0_2_0 &
117076 +c3*e_1_2_0&
117077 +4*e_2_2_0 &
117078 )
117079 e_2_3_0 = zeta*( c1*e_1_2_0 &
117080 +c2*e_2_2_0&
117081
117082 )
117083 e_2_2_1 = zetb*( c1*e_1_2_0 &
117084 +c3*e_2_2_0&
117085
117086 )
117087 e_3_3_0 = zeta*( c1*e_2_2_0 &
117088
117089
117090 )
117091 e_3_2_1 = zetb*( c1*e_2_2_0 &
117092
117093
117094 )
117095 e_0_4_0 = zeta*( &
117096 +c2*e_0_3_0&
117097 +2*e_1_3_0 &
117098 -6*e_0_2_0)
117099 e_0_3_1 = zetb*( &
117100 +c3*e_0_3_0&
117101 +2*e_1_3_0 &
117102 )
117103 e_1_4_0 = zeta*( c1*e_0_3_0 &
117104 +c2*e_1_3_0&
117105 +4*e_2_3_0 &
117106 -6*e_1_2_0)
117107 e_1_3_1 = zetb*( c1*e_0_3_0 &
117108 +c3*e_1_3_0&
117109 +4*e_2_3_0 &
117110 )
117111 e_2_4_0 = zeta*( c1*e_1_3_0 &
117112 +c2*e_2_3_0&
117113 +6*e_3_3_0 &
117114 -6*e_2_2_0)
117115 e_2_3_1 = zetb*( c1*e_1_3_0 &
117116 +c3*e_2_3_0&
117117 +6*e_3_3_0 &
117118 )
117119 e_3_4_0 = zeta*( c1*e_2_3_0 &
117120 +c2*e_3_3_0&
117121
117122 )
117123 e_3_3_1 = zetb*( c1*e_2_3_0 &
117124 +c3*e_3_3_0&
117125
117126 )
117127 e_4_4_0 = zeta*( c1*e_3_3_0 &
117128
117129
117130 )
117131 e_4_3_1 = zetb*( c1*e_3_3_0 &
117132
117133
117134 )
117135 e_0_4_1 = zetb*( &
117136 +c3*e_0_4_0&
117137 +2*e_1_4_0 &
117138 )
117139 e_1_4_1 = zetb*( c1*e_0_4_0 &
117140 +c3*e_1_4_0&
117141 +4*e_2_4_0 &
117142 )
117143 e_2_4_1 = zetb*( c1*e_1_4_0 &
117144 +c3*e_2_4_0&
117145 +6*e_3_4_0 &
117146 )
117147 e_3_4_1 = zetb*( c1*e_2_4_0 &
117148 +c3*e_3_4_0&
117149 +8*e_4_4_0 &
117150 )
117151 e_4_4_1 = zetb*( c1*e_3_4_0 &
117152 +c3*e_4_4_0&
117153
117154 )
117155 e_5_4_1 = zetb*( c1*e_4_4_0 &
117156
117157
117158 )
117159 e_0_1_1 = zeta*( &
117160 +c2*e_0_0_1&
117161 +2*e_1_0_1 &
117162 )
117163 e_0_0_2 = zetb*( &
117164 +c3*e_0_0_1&
117165 +2*e_1_0_1 &
117166 -2*e_0_0_0)
117167 e_1_1_1 = zeta*( c1*e_0_0_1 &
117168 +c2*e_1_0_1&
117169
117170 )
117171 e_1_0_2 = zetb*( c1*e_0_0_1 &
117172 +c3*e_1_0_1&
117173
117174 )
117175 e_2_1_1 = zeta*( c1*e_1_0_1 &
117176
117177
117178 )
117179 e_2_0_2 = zetb*( c1*e_1_0_1 &
117180
117181
117182 )
117183 e_0_2_1 = zeta*( &
117184 +c2*e_0_1_1&
117185 +2*e_1_1_1 &
117186 -2*e_0_0_1)
117187 e_0_1_2 = zetb*( &
117188 +c3*e_0_1_1&
117189 +2*e_1_1_1 &
117190 -2*e_0_1_0)
117191 e_1_2_1 = zeta*( c1*e_0_1_1 &
117192 +c2*e_1_1_1&
117193 +4*e_2_1_1 &
117194 -2*e_1_0_1)
117195 e_1_1_2 = zetb*( c1*e_0_1_1 &
117196 +c3*e_1_1_1&
117197 +4*e_2_1_1 &
117198 -2*e_1_1_0)
117199 e_2_2_1 = zeta*( c1*e_1_1_1 &
117200 +c2*e_2_1_1&
117201
117202 )
117203 e_2_1_2 = zetb*( c1*e_1_1_1 &
117204 +c3*e_2_1_1&
117205
117206 )
117207 e_3_2_1 = zeta*( c1*e_2_1_1 &
117208
117209
117210 )
117211 e_3_1_2 = zetb*( c1*e_2_1_1 &
117212
117213
117214 )
117215 e_0_3_1 = zeta*( &
117216 +c2*e_0_2_1&
117217 +2*e_1_2_1 &
117218 -4*e_0_1_1)
117219 e_0_2_2 = zetb*( &
117220 +c3*e_0_2_1&
117221 +2*e_1_2_1 &
117222 -2*e_0_2_0)
117223 e_1_3_1 = zeta*( c1*e_0_2_1 &
117224 +c2*e_1_2_1&
117225 +4*e_2_2_1 &
117226 -4*e_1_1_1)
117227 e_1_2_2 = zetb*( c1*e_0_2_1 &
117228 +c3*e_1_2_1&
117229 +4*e_2_2_1 &
117230 -2*e_1_2_0)
117231 e_2_3_1 = zeta*( c1*e_1_2_1 &
117232 +c2*e_2_2_1&
117233 +6*e_3_2_1 &
117234 -4*e_2_1_1)
117235 e_2_2_2 = zetb*( c1*e_1_2_1 &
117236 +c3*e_2_2_1&
117237 +6*e_3_2_1 &
117238 -2*e_2_2_0)
117239 e_3_3_1 = zeta*( c1*e_2_2_1 &
117240 +c2*e_3_2_1&
117241
117242 )
117243 e_3_2_2 = zetb*( c1*e_2_2_1 &
117244 +c3*e_3_2_1&
117245
117246 )
117247 e_4_3_1 = zeta*( c1*e_3_2_1 &
117248
117249
117250 )
117251 e_4_2_2 = zetb*( c1*e_3_2_1 &
117252
117253
117254 )
117255 e_0_4_1 = zeta*( &
117256 +c2*e_0_3_1&
117257 +2*e_1_3_1 &
117258 -6*e_0_2_1)
117259 e_0_3_2 = zetb*( &
117260 +c3*e_0_3_1&
117261 +2*e_1_3_1 &
117262 -2*e_0_3_0)
117263 e_1_4_1 = zeta*( c1*e_0_3_1 &
117264 +c2*e_1_3_1&
117265 +4*e_2_3_1 &
117266 -6*e_1_2_1)
117267 e_1_3_2 = zetb*( c1*e_0_3_1 &
117268 +c3*e_1_3_1&
117269 +4*e_2_3_1 &
117270 -2*e_1_3_0)
117271 e_2_4_1 = zeta*( c1*e_1_3_1 &
117272 +c2*e_2_3_1&
117273 +6*e_3_3_1 &
117274 -6*e_2_2_1)
117275 e_2_3_2 = zetb*( c1*e_1_3_1 &
117276 +c3*e_2_3_1&
117277 +6*e_3_3_1 &
117278 -2*e_2_3_0)
117279 e_3_4_1 = zeta*( c1*e_2_3_1 &
117280 +c2*e_3_3_1&
117281 +8*e_4_3_1 &
117282 -6*e_3_2_1)
117283 e_3_3_2 = zetb*( c1*e_2_3_1 &
117284 +c3*e_3_3_1&
117285 +8*e_4_3_1 &
117286 -2*e_3_3_0)
117287 e_4_4_1 = zeta*( c1*e_3_3_1 &
117288 +c2*e_4_3_1&
117289
117290 )
117291 e_4_3_2 = zetb*( c1*e_3_3_1 &
117292 +c3*e_4_3_1&
117293
117294 )
117295 e_5_4_1 = zeta*( c1*e_4_3_1 &
117296
117297
117298 )
117299 e_5_3_2 = zetb*( c1*e_4_3_1 &
117300
117301
117302 )
117303 e_0_4_2 = zetb*( &
117304 +c3*e_0_4_1&
117305 +2*e_1_4_1 &
117306 -2*e_0_4_0)
117307 e_1_4_2 = zetb*( c1*e_0_4_1 &
117308 +c3*e_1_4_1&
117309 +4*e_2_4_1 &
117310 -2*e_1_4_0)
117311 e_2_4_2 = zetb*( c1*e_1_4_1 &
117312 +c3*e_2_4_1&
117313 +6*e_3_4_1 &
117314 -2*e_2_4_0)
117315 e_3_4_2 = zetb*( c1*e_2_4_1 &
117316 +c3*e_3_4_1&
117317 +8*e_4_4_1 &
117318 -2*e_3_4_0)
117319 e_4_4_2 = zetb*( c1*e_3_4_1 &
117320 +c3*e_4_4_1&
117321 +10*e_5_4_1 &
117322 -2*e_4_4_0)
117323 e_5_4_2 = zetb*( c1*e_4_4_1 &
117324 +c3*e_5_4_1&
117325
117326 )
117327 e_6_4_2 = zetb*( c1*e_5_4_1 &
117328
117329
117330 )
117331 e_0_1_2 = zeta*( &
117332 +c2*e_0_0_2&
117333 +2*e_1_0_2 &
117334 )
117335 e_0_0_3 = zetb*( &
117336 +c3*e_0_0_2&
117337 +2*e_1_0_2 &
117338 -4*e_0_0_1)
117339 e_1_1_2 = zeta*( c1*e_0_0_2 &
117340 +c2*e_1_0_2&
117341 +4*e_2_0_2 &
117342 )
117343 e_1_0_3 = zetb*( c1*e_0_0_2 &
117344 +c3*e_1_0_2&
117345 +4*e_2_0_2 &
117346 -4*e_1_0_1)
117347 e_2_1_2 = zeta*( c1*e_1_0_2 &
117348 +c2*e_2_0_2&
117349
117350 )
117351 e_2_0_3 = zetb*( c1*e_1_0_2 &
117352 +c3*e_2_0_2&
117353
117354 )
117355 e_3_1_2 = zeta*( c1*e_2_0_2 &
117356
117357
117358 )
117359 e_3_0_3 = zetb*( c1*e_2_0_2 &
117360
117361
117362 )
117363 e_0_2_2 = zeta*( &
117364 +c2*e_0_1_2&
117365 +2*e_1_1_2 &
117366 -2*e_0_0_2)
117367 e_0_1_3 = zetb*( &
117368 +c3*e_0_1_2&
117369 +2*e_1_1_2 &
117370 -4*e_0_1_1)
117371 e_1_2_2 = zeta*( c1*e_0_1_2 &
117372 +c2*e_1_1_2&
117373 +4*e_2_1_2 &
117374 -2*e_1_0_2)
117375 e_1_1_3 = zetb*( c1*e_0_1_2 &
117376 +c3*e_1_1_2&
117377 +4*e_2_1_2 &
117378 -4*e_1_1_1)
117379 e_2_2_2 = zeta*( c1*e_1_1_2 &
117380 +c2*e_2_1_2&
117381 +6*e_3_1_2 &
117382 -2*e_2_0_2)
117383 e_2_1_3 = zetb*( c1*e_1_1_2 &
117384 +c3*e_2_1_2&
117385 +6*e_3_1_2 &
117386 -4*e_2_1_1)
117387 e_3_2_2 = zeta*( c1*e_2_1_2 &
117388 +c2*e_3_1_2&
117389
117390 )
117391 e_3_1_3 = zetb*( c1*e_2_1_2 &
117392 +c3*e_3_1_2&
117393
117394 )
117395 e_4_2_2 = zeta*( c1*e_3_1_2 &
117396
117397
117398 )
117399 e_4_1_3 = zetb*( c1*e_3_1_2 &
117400
117401
117402 )
117403 e_0_3_2 = zeta*( &
117404 +c2*e_0_2_2&
117405 +2*e_1_2_2 &
117406 -4*e_0_1_2)
117407 e_0_2_3 = zetb*( &
117408 +c3*e_0_2_2&
117409 +2*e_1_2_2 &
117410 -4*e_0_2_1)
117411 e_1_3_2 = zeta*( c1*e_0_2_2 &
117412 +c2*e_1_2_2&
117413 +4*e_2_2_2 &
117414 -4*e_1_1_2)
117415 e_1_2_3 = zetb*( c1*e_0_2_2 &
117416 +c3*e_1_2_2&
117417 +4*e_2_2_2 &
117418 -4*e_1_2_1)
117419 e_2_3_2 = zeta*( c1*e_1_2_2 &
117420 +c2*e_2_2_2&
117421 +6*e_3_2_2 &
117422 -4*e_2_1_2)
117423 e_2_2_3 = zetb*( c1*e_1_2_2 &
117424 +c3*e_2_2_2&
117425 +6*e_3_2_2 &
117426 -4*e_2_2_1)
117427 e_3_3_2 = zeta*( c1*e_2_2_2 &
117428 +c2*e_3_2_2&
117429 +8*e_4_2_2 &
117430 -4*e_3_1_2)
117431 e_3_2_3 = zetb*( c1*e_2_2_2 &
117432 +c3*e_3_2_2&
117433 +8*e_4_2_2 &
117434 -4*e_3_2_1)
117435 e_4_3_2 = zeta*( c1*e_3_2_2 &
117436 +c2*e_4_2_2&
117437
117438 )
117439 e_4_2_3 = zetb*( c1*e_3_2_2 &
117440 +c3*e_4_2_2&
117441
117442 )
117443 e_5_3_2 = zeta*( c1*e_4_2_2 &
117444
117445
117446 )
117447 e_5_2_3 = zetb*( c1*e_4_2_2 &
117448
117449
117450 )
117451 e_0_4_2 = zeta*( &
117452 +c2*e_0_3_2&
117453 +2*e_1_3_2 &
117454 -6*e_0_2_2)
117455 e_0_3_3 = zetb*( &
117456 +c3*e_0_3_2&
117457 +2*e_1_3_2 &
117458 -4*e_0_3_1)
117459 e_1_4_2 = zeta*( c1*e_0_3_2 &
117460 +c2*e_1_3_2&
117461 +4*e_2_3_2 &
117462 -6*e_1_2_2)
117463 e_1_3_3 = zetb*( c1*e_0_3_2 &
117464 +c3*e_1_3_2&
117465 +4*e_2_3_2 &
117466 -4*e_1_3_1)
117467 e_2_4_2 = zeta*( c1*e_1_3_2 &
117468 +c2*e_2_3_2&
117469 +6*e_3_3_2 &
117470 -6*e_2_2_2)
117471 e_2_3_3 = zetb*( c1*e_1_3_2 &
117472 +c3*e_2_3_2&
117473 +6*e_3_3_2 &
117474 -4*e_2_3_1)
117475 e_3_4_2 = zeta*( c1*e_2_3_2 &
117476 +c2*e_3_3_2&
117477 +8*e_4_3_2 &
117478 -6*e_3_2_2)
117479 e_3_3_3 = zetb*( c1*e_2_3_2 &
117480 +c3*e_3_3_2&
117481 +8*e_4_3_2 &
117482 -4*e_3_3_1)
117483 e_4_4_2 = zeta*( c1*e_3_3_2 &
117484 +c2*e_4_3_2&
117485 +10*e_5_3_2 &
117486 -6*e_4_2_2)
117487 e_4_3_3 = zetb*( c1*e_3_3_2 &
117488 +c3*e_4_3_2&
117489 +10*e_5_3_2 &
117490 -4*e_4_3_1)
117491 e_5_4_2 = zeta*( c1*e_4_3_2 &
117492 +c2*e_5_3_2&
117493
117494 )
117495 e_5_3_3 = zetb*( c1*e_4_3_2 &
117496 +c3*e_5_3_2&
117497
117498 )
117499 e_6_4_2 = zeta*( c1*e_5_3_2 &
117500
117501
117502 )
117503 e_6_3_3 = zetb*( c1*e_5_3_2 &
117504
117505
117506 )
117507 e_0_4_3 = zetb*( &
117508 +c3*e_0_4_2&
117509 +2*e_1_4_2 &
117510 -4*e_0_4_1)
117511 e_1_4_3 = zetb*( c1*e_0_4_2 &
117512 +c3*e_1_4_2&
117513 +4*e_2_4_2 &
117514 -4*e_1_4_1)
117515 e_2_4_3 = zetb*( c1*e_1_4_2 &
117516 +c3*e_2_4_2&
117517 +6*e_3_4_2 &
117518 -4*e_2_4_1)
117519 e_3_4_3 = zetb*( c1*e_2_4_2 &
117520 +c3*e_3_4_2&
117521 +8*e_4_4_2 &
117522 -4*e_3_4_1)
117523 e_4_4_3 = zetb*( c1*e_3_4_2 &
117524 +c3*e_4_4_2&
117525 +10*e_5_4_2 &
117526 -4*e_4_4_1)
117527 e_5_4_3 = zetb*( c1*e_4_4_2 &
117528 +c3*e_5_4_2&
117529 +12*e_6_4_2 &
117530 -4*e_5_4_1)
117531 e_6_4_3 = zetb*( c1*e_5_4_2 &
117532 +c3*e_6_4_2&
117533
117534 )
117535 e_7_4_3 = zetb*( c1*e_6_4_2 &
117536
117537
117538 )
117539 e_0_1_3 = zeta*( &
117540 +c2*e_0_0_3&
117541 +2*e_1_0_3 &
117542 )
117543 e_0_0_4 = zetb*( &
117544 +c3*e_0_0_3&
117545 +2*e_1_0_3 &
117546 -6*e_0_0_2)
117547 e_1_1_3 = zeta*( c1*e_0_0_3 &
117548 +c2*e_1_0_3&
117549 +4*e_2_0_3 &
117550 )
117551 e_1_0_4 = zetb*( c1*e_0_0_3 &
117552 +c3*e_1_0_3&
117553 +4*e_2_0_3 &
117554 -6*e_1_0_2)
117555 e_2_1_3 = zeta*( c1*e_1_0_3 &
117556 +c2*e_2_0_3&
117557 +6*e_3_0_3 &
117558 )
117559 e_2_0_4 = zetb*( c1*e_1_0_3 &
117560 +c3*e_2_0_3&
117561 +6*e_3_0_3 &
117562 -6*e_2_0_2)
117563 e_3_1_3 = zeta*( c1*e_2_0_3 &
117564 +c2*e_3_0_3&
117565
117566 )
117567 e_3_0_4 = zetb*( c1*e_2_0_3 &
117568 +c3*e_3_0_3&
117569
117570 )
117571 e_4_1_3 = zeta*( c1*e_3_0_3 &
117572
117573
117574 )
117575 e_4_0_4 = zetb*( c1*e_3_0_3 &
117576
117577
117578 )
117579 e_0_2_3 = zeta*( &
117580 +c2*e_0_1_3&
117581 +2*e_1_1_3 &
117582 -2*e_0_0_3)
117583 e_0_1_4 = zetb*( &
117584 +c3*e_0_1_3&
117585 +2*e_1_1_3 &
117586 -6*e_0_1_2)
117587 e_1_2_3 = zeta*( c1*e_0_1_3 &
117588 +c2*e_1_1_3&
117589 +4*e_2_1_3 &
117590 -2*e_1_0_3)
117591 e_1_1_4 = zetb*( c1*e_0_1_3 &
117592 +c3*e_1_1_3&
117593 +4*e_2_1_3 &
117594 -6*e_1_1_2)
117595 e_2_2_3 = zeta*( c1*e_1_1_3 &
117596 +c2*e_2_1_3&
117597 +6*e_3_1_3 &
117598 -2*e_2_0_3)
117599 e_2_1_4 = zetb*( c1*e_1_1_3 &
117600 +c3*e_2_1_3&
117601 +6*e_3_1_3 &
117602 -6*e_2_1_2)
117603 e_3_2_3 = zeta*( c1*e_2_1_3 &
117604 +c2*e_3_1_3&
117605 +8*e_4_1_3 &
117606 -2*e_3_0_3)
117607 e_3_1_4 = zetb*( c1*e_2_1_3 &
117608 +c3*e_3_1_3&
117609 +8*e_4_1_3 &
117610 -6*e_3_1_2)
117611 e_4_2_3 = zeta*( c1*e_3_1_3 &
117612 +c2*e_4_1_3&
117613
117614 )
117615 e_4_1_4 = zetb*( c1*e_3_1_3 &
117616 +c3*e_4_1_3&
117617
117618 )
117619 e_5_2_3 = zeta*( c1*e_4_1_3 &
117620
117621
117622 )
117623 e_5_1_4 = zetb*( c1*e_4_1_3 &
117624
117625
117626 )
117627 e_0_3_3 = zeta*( &
117628 +c2*e_0_2_3&
117629 +2*e_1_2_3 &
117630 -4*e_0_1_3)
117631 e_0_2_4 = zetb*( &
117632 +c3*e_0_2_3&
117633 +2*e_1_2_3 &
117634 -6*e_0_2_2)
117635 e_1_3_3 = zeta*( c1*e_0_2_3 &
117636 +c2*e_1_2_3&
117637 +4*e_2_2_3 &
117638 -4*e_1_1_3)
117639 e_1_2_4 = zetb*( c1*e_0_2_3 &
117640 +c3*e_1_2_3&
117641 +4*e_2_2_3 &
117642 -6*e_1_2_2)
117643 e_2_3_3 = zeta*( c1*e_1_2_3 &
117644 +c2*e_2_2_3&
117645 +6*e_3_2_3 &
117646 -4*e_2_1_3)
117647 e_2_2_4 = zetb*( c1*e_1_2_3 &
117648 +c3*e_2_2_3&
117649 +6*e_3_2_3 &
117650 -6*e_2_2_2)
117651 e_3_3_3 = zeta*( c1*e_2_2_3 &
117652 +c2*e_3_2_3&
117653 +8*e_4_2_3 &
117654 -4*e_3_1_3)
117655 e_3_2_4 = zetb*( c1*e_2_2_3 &
117656 +c3*e_3_2_3&
117657 +8*e_4_2_3 &
117658 -6*e_3_2_2)
117659 e_4_3_3 = zeta*( c1*e_3_2_3 &
117660 +c2*e_4_2_3&
117661 +10*e_5_2_3 &
117662 -4*e_4_1_3)
117663 e_4_2_4 = zetb*( c1*e_3_2_3 &
117664 +c3*e_4_2_3&
117665 +10*e_5_2_3 &
117666 -6*e_4_2_2)
117667 e_5_3_3 = zeta*( c1*e_4_2_3 &
117668 +c2*e_5_2_3&
117669
117670 )
117671 e_5_2_4 = zetb*( c1*e_4_2_3 &
117672 +c3*e_5_2_3&
117673
117674 )
117675 e_6_3_3 = zeta*( c1*e_5_2_3 &
117676
117677
117678 )
117679 e_6_2_4 = zetb*( c1*e_5_2_3 &
117680
117681
117682 )
117683 e_0_4_3 = zeta*( &
117684 +c2*e_0_3_3&
117685 +2*e_1_3_3 &
117686 -6*e_0_2_3)
117687 e_0_3_4 = zetb*( &
117688 +c3*e_0_3_3&
117689 +2*e_1_3_3 &
117690 -6*e_0_3_2)
117691 e_1_4_3 = zeta*( c1*e_0_3_3 &
117692 +c2*e_1_3_3&
117693 +4*e_2_3_3 &
117694 -6*e_1_2_3)
117695 e_1_3_4 = zetb*( c1*e_0_3_3 &
117696 +c3*e_1_3_3&
117697 +4*e_2_3_3 &
117698 -6*e_1_3_2)
117699 e_2_4_3 = zeta*( c1*e_1_3_3 &
117700 +c2*e_2_3_3&
117701 +6*e_3_3_3 &
117702 -6*e_2_2_3)
117703 e_2_3_4 = zetb*( c1*e_1_3_3 &
117704 +c3*e_2_3_3&
117705 +6*e_3_3_3 &
117706 -6*e_2_3_2)
117707 e_3_4_3 = zeta*( c1*e_2_3_3 &
117708 +c2*e_3_3_3&
117709 +8*e_4_3_3 &
117710 -6*e_3_2_3)
117711 e_3_3_4 = zetb*( c1*e_2_3_3 &
117712 +c3*e_3_3_3&
117713 +8*e_4_3_3 &
117714 -6*e_3_3_2)
117715 e_4_4_3 = zeta*( c1*e_3_3_3 &
117716 +c2*e_4_3_3&
117717 +10*e_5_3_3 &
117718 -6*e_4_2_3)
117719 e_4_3_4 = zetb*( c1*e_3_3_3 &
117720 +c3*e_4_3_3&
117721 +10*e_5_3_3 &
117722 -6*e_4_3_2)
117723 e_5_4_3 = zeta*( c1*e_4_3_3 &
117724 +c2*e_5_3_3&
117725 +12*e_6_3_3 &
117726 -6*e_5_2_3)
117727 e_5_3_4 = zetb*( c1*e_4_3_3 &
117728 +c3*e_5_3_3&
117729 +12*e_6_3_3 &
117730 -6*e_5_3_2)
117731 e_6_4_3 = zeta*( c1*e_5_3_3 &
117732 +c2*e_6_3_3&
117733
117734 )
117735 e_6_3_4 = zetb*( c1*e_5_3_3 &
117736 +c3*e_6_3_3&
117737
117738 )
117739 e_7_4_3 = zeta*( c1*e_6_3_3 &
117740
117741
117742 )
117743 e_7_3_4 = zetb*( c1*e_6_3_3 &
117744
117745
117746 )
117747 e_0_4_4 = zetb*( &
117748 +c3*e_0_4_3&
117749 +2*e_1_4_3 &
117750 -6*e_0_4_2)
117751 e_1_4_4 = zetb*( c1*e_0_4_3 &
117752 +c3*e_1_4_3&
117753 +4*e_2_4_3 &
117754 -6*e_1_4_2)
117755 e_2_4_4 = zetb*( c1*e_1_4_3 &
117756 +c3*e_2_4_3&
117757 +6*e_3_4_3 &
117758 -6*e_2_4_2)
117759 e_3_4_4 = zetb*( c1*e_2_4_3 &
117760 +c3*e_3_4_3&
117761 +8*e_4_4_3 &
117762 -6*e_3_4_2)
117763 e_4_4_4 = zetb*( c1*e_3_4_3 &
117764 +c3*e_4_4_3&
117765 +10*e_5_4_3 &
117766 -6*e_4_4_2)
117767 e_5_4_4 = zetb*( c1*e_4_4_3 &
117768 +c3*e_5_4_3&
117769 +12*e_6_4_3 &
117770 -6*e_5_4_2)
117771 e_6_4_4 = zetb*( c1*e_5_4_3 &
117772 +c3*e_6_4_3&
117773 +14*e_7_4_3 &
117774 -6*e_6_4_2)
117775 e_7_4_4 = zetb*( c1*e_6_4_3 &
117776 +c3*e_7_4_3&
117777
117778 )
117779 e_8_4_4 = zetb*( c1*e_7_4_3 &
117780
117781
117782 )
117783 e_0_1_4 = zeta*( &
117784 +c2*e_0_0_4&
117785 +2*e_1_0_4 &
117786 )
117787 e_1_1_4 = zeta*( c1*e_0_0_4 &
117788 +c2*e_1_0_4&
117789 +4*e_2_0_4 &
117790 )
117791 e_2_1_4 = zeta*( c1*e_1_0_4 &
117792 +c2*e_2_0_4&
117793 +6*e_3_0_4 &
117794 )
117795 e_3_1_4 = zeta*( c1*e_2_0_4 &
117796 +c2*e_3_0_4&
117797 +8*e_4_0_4 &
117798 )
117799 e_4_1_4 = zeta*( c1*e_3_0_4 &
117800 +c2*e_4_0_4&
117801
117802 )
117803 e_5_1_4 = zeta*( c1*e_4_0_4 &
117804
117805
117806 )
117807 e_0_2_4 = zeta*( &
117808 +c2*e_0_1_4&
117809 +2*e_1_1_4 &
117810 -2*e_0_0_4)
117811 e_1_2_4 = zeta*( c1*e_0_1_4 &
117812 +c2*e_1_1_4&
117813 +4*e_2_1_4 &
117814 -2*e_1_0_4)
117815 e_2_2_4 = zeta*( c1*e_1_1_4 &
117816 +c2*e_2_1_4&
117817 +6*e_3_1_4 &
117818 -2*e_2_0_4)
117819 e_3_2_4 = zeta*( c1*e_2_1_4 &
117820 +c2*e_3_1_4&
117821 +8*e_4_1_4 &
117822 -2*e_3_0_4)
117823 e_4_2_4 = zeta*( c1*e_3_1_4 &
117824 +c2*e_4_1_4&
117825 +10*e_5_1_4 &
117826 -2*e_4_0_4)
117827 e_5_2_4 = zeta*( c1*e_4_1_4 &
117828 +c2*e_5_1_4&
117829
117830 )
117831 e_6_2_4 = zeta*( c1*e_5_1_4 &
117832
117833
117834 )
117835 e_0_3_4 = zeta*( &
117836 +c2*e_0_2_4&
117837 +2*e_1_2_4 &
117838 -4*e_0_1_4)
117839 e_1_3_4 = zeta*( c1*e_0_2_4 &
117840 +c2*e_1_2_4&
117841 +4*e_2_2_4 &
117842 -4*e_1_1_4)
117843 e_2_3_4 = zeta*( c1*e_1_2_4 &
117844 +c2*e_2_2_4&
117845 +6*e_3_2_4 &
117846 -4*e_2_1_4)
117847 e_3_3_4 = zeta*( c1*e_2_2_4 &
117848 +c2*e_3_2_4&
117849 +8*e_4_2_4 &
117850 -4*e_3_1_4)
117851 e_4_3_4 = zeta*( c1*e_3_2_4 &
117852 +c2*e_4_2_4&
117853 +10*e_5_2_4 &
117854 -4*e_4_1_4)
117855 e_5_3_4 = zeta*( c1*e_4_2_4 &
117856 +c2*e_5_2_4&
117857 +12*e_6_2_4 &
117858 -4*e_5_1_4)
117859 e_6_3_4 = zeta*( c1*e_5_2_4 &
117860 +c2*e_6_2_4&
117861
117862 )
117863 e_7_3_4 = zeta*( c1*e_6_2_4 &
117864
117865
117866 )
117867 e_0_4_4 = zeta*( &
117868 +c2*e_0_3_4&
117869 +2*e_1_3_4 &
117870 -6*e_0_2_4)
117871 e_1_4_4 = zeta*( c1*e_0_3_4 &
117872 +c2*e_1_3_4&
117873 +4*e_2_3_4 &
117874 -6*e_1_2_4)
117875 e_2_4_4 = zeta*( c1*e_1_3_4 &
117876 +c2*e_2_3_4&
117877 +6*e_3_3_4 &
117878 -6*e_2_2_4)
117879 e_3_4_4 = zeta*( c1*e_2_3_4 &
117880 +c2*e_3_3_4&
117881 +8*e_4_3_4 &
117882 -6*e_3_2_4)
117883 e_4_4_4 = zeta*( c1*e_3_3_4 &
117884 +c2*e_4_3_4&
117885 +10*e_5_3_4 &
117886 -6*e_4_2_4)
117887 e_5_4_4 = zeta*( c1*e_4_3_4 &
117888 +c2*e_5_3_4&
117889 +12*e_6_3_4 &
117890 -6*e_5_2_4)
117891 e_6_4_4 = zeta*( c1*e_5_3_4 &
117892 +c2*e_6_3_4&
117893 +14*e_7_3_4 &
117894 -6*e_6_2_4)
117895 e_7_4_4 = zeta*( c1*e_6_3_4 &
117896 +c2*e_7_3_4&
117897
117898 )
117899 e_8_4_4 = zeta*( c1*e_7_3_4 &
117900
117901
117902 )
117903
117904 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
117905 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
117906 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
117907 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
117908 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
117909 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
117910 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
117911 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
117912 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
117913 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
117914 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
117915 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
117916 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
117917 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
117918 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
117919 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
117920 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
117921 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
117922 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
117923 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
117924 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
117925 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
117926 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
117927 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
117928 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
117929 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
117930 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
117931 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
117932 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
117933 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
117934 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
117935 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
117936 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
117937 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
117938 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
117939 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
117940 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
117941 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
117942 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
117943 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
117944 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
117945 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
117946 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
117947 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
117948 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
117949 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
117950 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
117951 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
117952 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
117953 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
117954 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
117955 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
117956 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
117957 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
117958 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
117959 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
117960 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
117961 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
117962 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
117963 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
117964 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
117965 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
117966 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
117967 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
117968 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
117969 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
117970 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
117971 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
117972 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
117973 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
117974 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
117975 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
117976 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
117977 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
117978 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
117979 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
117980 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
117981 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
117982 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
117983 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
117984 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
117985 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
117986 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
117987 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
117988 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
117989 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
117990 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
117991 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
117992 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
117993 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
117994 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
117995 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
117996 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
117997 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
117998 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
117999 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
118000 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
118001 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
118002 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
118003 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
118004 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
118005 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
118006 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
118007 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
118008 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
118009 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
118010 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
118011 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
118012 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
118013 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
118014 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
118015 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
118016 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
118017 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
118018 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
118019 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
118020 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
118021 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
118022 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
118023 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
118024 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
118025 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
118026 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
118027 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
118028 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
118029 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
118030 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
118031 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
118032 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
118033 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
118034 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
118035 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
118036 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
118037 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
118038 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
118039 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
118040 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
118041 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
118042 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
118043 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
118044 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
118045 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
118046 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
118047 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
118048 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
118049 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
118050 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
118051 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
118052 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
118053 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
118054 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
118055 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
118056 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
118057 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
118058 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
118059 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
118060 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
118061 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
118062 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
118063 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
118064 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
118065 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
118066 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
118067 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
118068 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
118069 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
118070 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
118071 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
118072 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
118073 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
118074 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
118075 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
118076 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
118077 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
118078 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
118079 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
118080 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
118081 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
118082 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
118083 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
118084 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
118085 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
118086 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
118087 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
118088 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
118089 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
118090 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
118091 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
118092 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
118093 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
118094 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
118095 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
118096 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
118097 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
118098 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
118099 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
118100 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
118101 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
118102 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
118103 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
118104 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
118105 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
118106 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
118107 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
118108 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
118109 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
118110 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
118111 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
118112 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
118113 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
118114 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
118115 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
118116 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
118117 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
118118 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
118119 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
118120 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
118121 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
118122 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
118123 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
118124 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
118125 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
118126 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
118127 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
118128 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
118129 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
118130 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
118131 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
118132 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
118133 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
118134 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
118135 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
118136 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
118137 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
118138 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
118139 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
118140 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
118141 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
118142 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
118143 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
118144 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
118145 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
118146 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
118147 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
118148 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
118149 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
118150 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
118151 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
118152 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
118153 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
118154 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
118155 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
118156 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
118157 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
118158 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
118159 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
118160 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
118161 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
118162 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
118163 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
118164 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
118165 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
118166 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
118167 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
118168 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
118169 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
118170 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
118171 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
118172 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
118173 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
118174 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
118175 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
118176 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
118177 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
118178 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
118179 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
118180 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
118181 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
118182 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
118183 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
118184 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
118185 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
118186 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
118187 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
118188 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
118189 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
118190 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
118191 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
118192 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
118193 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
118194 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
118195 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
118196 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
118197 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
118198 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
118199 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
118200 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
118201 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
118202 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
118203 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
118204 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
118205 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
118206 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
118207 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
118208 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
118209 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
118210 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
118211 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
118212 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
118213 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
118214 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
118215 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
118216 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
118217 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
118218 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
118219 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
118220 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
118221 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
118222 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
118223 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
118224 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
118225 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
118226 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
118227 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
118228 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
118229 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
118230 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
118231 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
118232 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
118233 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
118234 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
118235 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
118236 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
118237 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
118238 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
118239 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
118240 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
118241 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
118242 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
118243 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
118244 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
118245 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
118246 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
118247 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
118248 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
118249 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
118250 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
118251 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
118252 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
118253 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
118254 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
118255 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
118256 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
118257 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
118258 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
118259 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
118260 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
118261 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
118262 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
118263 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
118264 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
118265 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
118266 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
118267 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
118268 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
118269 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
118270 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
118271 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
118272 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
118273 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
118274 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
118275 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
118276 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
118277 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
118278 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
118279 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
118280 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
118281 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
118282 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
118283 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
118284 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
118285 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
118286 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
118287 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
118288 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
118289 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
118290 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
118291 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
118292 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
118293 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
118294 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
118295 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
118296 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
118297 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
118298 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
118299 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
118300 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
118301 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
118302 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
118303 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
118304 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
118305 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
118306 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
118307 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
118308 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
118309 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
118310 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
118311 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
118312 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
118313 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
118314 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
118315 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
118316 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
118317 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
118318 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
118319 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
118320 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
118321 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
118322 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
118323 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
118324 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
118325 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
118326 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
118327 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
118328 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
118329 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
118330 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
118331 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
118332 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
118333 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
118334 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
118335 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
118336 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
118337 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
118338 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
118339 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
118340 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
118341 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
118342 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
118343 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
118344 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
118345 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
118346 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
118347 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
118348 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
118349 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
118350 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
118351 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
118352 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
118353 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
118354 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
118355 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
118356 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
118357 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
118358 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
118359 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
118360 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
118361 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
118362 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
118363 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
118364 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
118365 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
118366 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
118367 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
118368 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
118369 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
118370 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
118371 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
118372 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
118373 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
118374 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
118375 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
118376 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
118377 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
118378 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
118379 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
118380 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
118381 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
118382 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
118383 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
118384 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
118385 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
118386 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
118387 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
118388 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
118389 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
118390 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
118391 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
118392 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
118393 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
118394 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
118395 s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
118396 s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
118397 s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
118398 s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
118399 s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
118400 s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
118401 s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
118402 s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
118403 s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
118404 r1 = r1 + dr
118405 END DO
118406
118407 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
118408 END SUBROUTINE
118409 PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_4_exp_1 ( &
118410 S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
118411 REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
118412 REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
118413 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
118414 INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
118415 REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
118416 r_pow_t, r_tmp, rr1_delta, rr2_delta
118417
118418 REAL(kind=dp) :: c1, c2, c3
118419 REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
118420 & s_r_t_10, s_r_t_11, s_r_t_12
118421 REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
118422 & s_r_t2_9, s_r_t2_10, s_r_t2_11, s_r_t2_12
118423 REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
118424 & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
118425 & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
118426 & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
118427 & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
118428 & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
118429 & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
118430 & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
118431 & h_to_c_10_11, h_to_c_11_11, h_to_c_0_12, h_to_c_1_12, h_to_c_2_12, h_to_c_3_12, h_to_c_4_12, h_to_c_5_12, h_to_c_6_12,&
118432 & h_to_c_7_12, h_to_c_8_12, h_to_c_9_12, h_to_c_10_12, h_to_c_11_12, h_to_c_12_12
118433 REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
118434 & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
118435 & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
118436 & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
118437 & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
118438 & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
118439 & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
118440 & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
118441 & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
118442 & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
118443
118444 REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
118445
118446 dr = lgth
118447 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
118448
118449 s_r(:, :, :) = 0.0_dp
118450
118451 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
118452
118453 h_to_c_0_0 = sqrt(alpha/pi)
118454
118455 h_to_c_0_1 = 0.0_dp
118456 h_to_c_1_1 = +2*alpha*h_to_c_0_0
118457 h_to_c_0_2 = -1*h_to_c_1_1
118458 h_to_c_1_2 = +2*alpha*h_to_c_0_1
118459 h_to_c_2_2 = +2*alpha*h_to_c_1_1
118460 h_to_c_0_3 = -1*h_to_c_1_2
118461 h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
118462 h_to_c_2_3 = +2*alpha*h_to_c_1_2
118463 h_to_c_3_3 = +2*alpha*h_to_c_2_2
118464 h_to_c_0_4 = -1*h_to_c_1_3
118465 h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
118466 h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
118467 h_to_c_3_4 = +2*alpha*h_to_c_2_3
118468 h_to_c_4_4 = +2*alpha*h_to_c_3_3
118469 h_to_c_0_5 = -1*h_to_c_1_4
118470 h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
118471 h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
118472 h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
118473 h_to_c_4_5 = +2*alpha*h_to_c_3_4
118474 h_to_c_5_5 = +2*alpha*h_to_c_4_4
118475 h_to_c_0_6 = -1*h_to_c_1_5
118476 h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
118477 h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
118478 h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
118479 h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
118480 h_to_c_5_6 = +2*alpha*h_to_c_4_5
118481 h_to_c_6_6 = +2*alpha*h_to_c_5_5
118482 h_to_c_0_7 = -1*h_to_c_1_6
118483 h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
118484 h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
118485 h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
118486 h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
118487 h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
118488 h_to_c_6_7 = +2*alpha*h_to_c_5_6
118489 h_to_c_7_7 = +2*alpha*h_to_c_6_6
118490 h_to_c_0_8 = -1*h_to_c_1_7
118491 h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
118492 h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
118493 h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
118494 h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
118495 h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
118496 h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
118497 h_to_c_7_8 = +2*alpha*h_to_c_6_7
118498 h_to_c_8_8 = +2*alpha*h_to_c_7_7
118499 h_to_c_0_9 = -1*h_to_c_1_8
118500 h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
118501 h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
118502 h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
118503 h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
118504 h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
118505 h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
118506 h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
118507 h_to_c_8_9 = +2*alpha*h_to_c_7_8
118508 h_to_c_9_9 = +2*alpha*h_to_c_8_8
118509 h_to_c_0_10 = -1*h_to_c_1_9
118510 h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
118511 h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
118512 h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
118513 h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
118514 h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
118515 h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
118516 h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
118517 h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
118518 h_to_c_9_10 = +2*alpha*h_to_c_8_9
118519 h_to_c_10_10 = +2*alpha*h_to_c_9_9
118520 h_to_c_0_11 = -1*h_to_c_1_10
118521 h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
118522 h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
118523 h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
118524 h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
118525 h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
118526 h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
118527 h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
118528 h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
118529 h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
118530 h_to_c_10_11 = +2*alpha*h_to_c_9_10
118531 h_to_c_11_11 = +2*alpha*h_to_c_10_10
118532 h_to_c_0_12 = -1*h_to_c_1_11
118533 h_to_c_1_12 = -2*h_to_c_2_11 +2*alpha*h_to_c_0_11
118534 h_to_c_2_12 = -3*h_to_c_3_11 +2*alpha*h_to_c_1_11
118535 h_to_c_3_12 = -4*h_to_c_4_11 +2*alpha*h_to_c_2_11
118536 h_to_c_4_12 = -5*h_to_c_5_11 +2*alpha*h_to_c_3_11
118537 h_to_c_5_12 = -6*h_to_c_6_11 +2*alpha*h_to_c_4_11
118538 h_to_c_6_12 = -7*h_to_c_7_11 +2*alpha*h_to_c_5_11
118539 h_to_c_7_12 = -8*h_to_c_8_11 +2*alpha*h_to_c_6_11
118540 h_to_c_8_12 = -9*h_to_c_9_11 +2*alpha*h_to_c_7_11
118541 h_to_c_9_12 = -10*h_to_c_10_11 +2*alpha*h_to_c_8_11
118542 h_to_c_10_12 = -11*h_to_c_11_11 +2*alpha*h_to_c_9_11
118543 h_to_c_11_12 = +2*alpha*h_to_c_10_11
118544 h_to_c_12_12 = +2*alpha*h_to_c_11_11
118545
118546 exp_drsq = exp(-alpha*dr*dr)
118547 exp_2drsq = exp_drsq*exp_drsq
118548
118549 rr1_delta = (ra - rb)/dr
118550
118551 rr1_l = ceiling(-r_c(1) + rr1_delta)
118552 rr1_r = floor(r_c(1) + rr1_delta)
118553
118554 r1 = rr1_l*dr
118555
118556 alpha_e = zeta*zetb/(zeta + zetb)
118557
118558 DO rr1 = rr1_l, rr1_r
118559 s_r_t_0 = 0.0_dp
118560 s_r_t2_0 = 0.0_dp
118561 s_r_t_1 = 0.0_dp
118562 s_r_t2_1 = 0.0_dp
118563 s_r_t_2 = 0.0_dp
118564 s_r_t2_2 = 0.0_dp
118565 s_r_t_3 = 0.0_dp
118566 s_r_t2_3 = 0.0_dp
118567 s_r_t_4 = 0.0_dp
118568 s_r_t2_4 = 0.0_dp
118569 s_r_t_5 = 0.0_dp
118570 s_r_t2_5 = 0.0_dp
118571 s_r_t_6 = 0.0_dp
118572 s_r_t2_6 = 0.0_dp
118573 s_r_t_7 = 0.0_dp
118574 s_r_t2_7 = 0.0_dp
118575 s_r_t_8 = 0.0_dp
118576 s_r_t2_8 = 0.0_dp
118577 s_r_t_9 = 0.0_dp
118578 s_r_t2_9 = 0.0_dp
118579 s_r_t_10 = 0.0_dp
118580 s_r_t2_10 = 0.0_dp
118581 s_r_t_11 = 0.0_dp
118582 s_r_t2_11 = 0.0_dp
118583 s_r_t_12 = 0.0_dp
118584 s_r_t2_12 = 0.0_dp
118585 r_tmp = r_offset + r1*zeta/(zeta + zetb)
118586 rr2_delta = -r_tmp/dr
118587
118588 rr2_l = ceiling(-r_c(2) + rr2_delta)
118589 rr2_r = floor(r_c(2) + rr2_delta)
118590
118591 r = r_tmp + (rr2_l)*dr
118592
118593 exp2_2rdr = exp(-2*alpha*r*dr)
118594 exp2_rsq = exp(-alpha*r*r)
118595
118596 DO rr2 = rr2_l, rr2_r
118597 r_pow_t = 1.0_dp
118598 s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
118599 r_pow_t = r_pow_t*r
118600 s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
118601 r_pow_t = r_pow_t*r
118602 s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
118603 r_pow_t = r_pow_t*r
118604 s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
118605 r_pow_t = r_pow_t*r
118606 s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
118607 r_pow_t = r_pow_t*r
118608 s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
118609 r_pow_t = r_pow_t*r
118610 s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
118611 r_pow_t = r_pow_t*r
118612 s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
118613 r_pow_t = r_pow_t*r
118614 s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
118615 r_pow_t = r_pow_t*r
118616 s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
118617 r_pow_t = r_pow_t*r
118618 s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
118619 r_pow_t = r_pow_t*r
118620 s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
118621 r_pow_t = r_pow_t*r
118622 s_r_t_12 = s_r_t_12+r_pow_t*exp2_rsq
118623
118624 exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
118625 exp2_2rdr = exp2_2rdr*exp_2drsq
118626 r = r + dr
118627 END DO
118628
118629 ! C --> H
118630 s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
118631 s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
118632 s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
118633 s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
118634 s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
118635 s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
118636 s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
118637 s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
118638 s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
118639 s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
118640 s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
118641 s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
118642 s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
118643 s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
118644 s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
118645 s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
118646 s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
118647 s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
118648 s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
118649 s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
118650 s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
118651 s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
118652 s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
118653 s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
118654 s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
118655 s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
118656 s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
118657 s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
118658 s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
118659 s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
118660 s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
118661 s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
118662 s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
118663 s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
118664 s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
118665 s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
118666 s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
118667 s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
118668 s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
118669 s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
118670 s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
118671 s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
118672 s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
118673 s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
118674 s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
118675 s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
118676 s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
118677 s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
118678 s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
118679 s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
118680 s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
118681 s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
118682 s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
118683 s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
118684 s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
118685 s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
118686 s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
118687 s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
118688 s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
118689 s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
118690 s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
118691 s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
118692 s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
118693 s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
118694 s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
118695 s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
118696 s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
118697 s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
118698 s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
118699 s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
118700 s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
118701 s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
118702 s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
118703 s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
118704 s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
118705 s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
118706 s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
118707 s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
118708 s_r_t2_12 = s_r_t2_12+h_to_c_0_12*s_r_t_0
118709 s_r_t2_12 = s_r_t2_12+h_to_c_1_12*s_r_t_1
118710 s_r_t2_12 = s_r_t2_12+h_to_c_2_12*s_r_t_2
118711 s_r_t2_12 = s_r_t2_12+h_to_c_3_12*s_r_t_3
118712 s_r_t2_12 = s_r_t2_12+h_to_c_4_12*s_r_t_4
118713 s_r_t2_12 = s_r_t2_12+h_to_c_5_12*s_r_t_5
118714 s_r_t2_12 = s_r_t2_12+h_to_c_6_12*s_r_t_6
118715 s_r_t2_12 = s_r_t2_12+h_to_c_7_12*s_r_t_7
118716 s_r_t2_12 = s_r_t2_12+h_to_c_8_12*s_r_t_8
118717 s_r_t2_12 = s_r_t2_12+h_to_c_9_12*s_r_t_9
118718 s_r_t2_12 = s_r_t2_12+h_to_c_10_12*s_r_t_10
118719 s_r_t2_12 = s_r_t2_12+h_to_c_11_12*s_r_t_11
118720 s_r_t2_12 = s_r_t2_12+h_to_c_12_12*s_r_t_12
118721
118722 ! H --> HH
118723 e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
118724
118725 c1 = 1.0_dp/(zeta + zetb)
118726 c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
118727 c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
118728
118729 e_0_1_0 = zeta*( &
118730 +c2*e_0_0_0&
118731
118732 )
118733 e_0_0_1 = zetb*( &
118734 +c3*e_0_0_0&
118735
118736 )
118737 e_1_1_0 = zeta*( c1*e_0_0_0 &
118738
118739
118740 )
118741 e_1_0_1 = zetb*( c1*e_0_0_0 &
118742
118743
118744 )
118745 e_0_2_0 = zeta*( &
118746 +c2*e_0_1_0&
118747 +2*e_1_1_0 &
118748 -2*e_0_0_0)
118749 e_0_1_1 = zetb*( &
118750 +c3*e_0_1_0&
118751 +2*e_1_1_0 &
118752 )
118753 e_1_2_0 = zeta*( c1*e_0_1_0 &
118754 +c2*e_1_1_0&
118755
118756 )
118757 e_1_1_1 = zetb*( c1*e_0_1_0 &
118758 +c3*e_1_1_0&
118759
118760 )
118761 e_2_2_0 = zeta*( c1*e_1_1_0 &
118762
118763
118764 )
118765 e_2_1_1 = zetb*( c1*e_1_1_0 &
118766
118767
118768 )
118769 e_0_3_0 = zeta*( &
118770 +c2*e_0_2_0&
118771 +2*e_1_2_0 &
118772 -4*e_0_1_0)
118773 e_0_2_1 = zetb*( &
118774 +c3*e_0_2_0&
118775 +2*e_1_2_0 &
118776 )
118777 e_1_3_0 = zeta*( c1*e_0_2_0 &
118778 +c2*e_1_2_0&
118779 +4*e_2_2_0 &
118780 -4*e_1_1_0)
118781 e_1_2_1 = zetb*( c1*e_0_2_0 &
118782 +c3*e_1_2_0&
118783 +4*e_2_2_0 &
118784 )
118785 e_2_3_0 = zeta*( c1*e_1_2_0 &
118786 +c2*e_2_2_0&
118787
118788 )
118789 e_2_2_1 = zetb*( c1*e_1_2_0 &
118790 +c3*e_2_2_0&
118791
118792 )
118793 e_3_3_0 = zeta*( c1*e_2_2_0 &
118794
118795
118796 )
118797 e_3_2_1 = zetb*( c1*e_2_2_0 &
118798
118799
118800 )
118801 e_0_4_0 = zeta*( &
118802 +c2*e_0_3_0&
118803 +2*e_1_3_0 &
118804 -6*e_0_2_0)
118805 e_0_3_1 = zetb*( &
118806 +c3*e_0_3_0&
118807 +2*e_1_3_0 &
118808 )
118809 e_1_4_0 = zeta*( c1*e_0_3_0 &
118810 +c2*e_1_3_0&
118811 +4*e_2_3_0 &
118812 -6*e_1_2_0)
118813 e_1_3_1 = zetb*( c1*e_0_3_0 &
118814 +c3*e_1_3_0&
118815 +4*e_2_3_0 &
118816 )
118817 e_2_4_0 = zeta*( c1*e_1_3_0 &
118818 +c2*e_2_3_0&
118819 +6*e_3_3_0 &
118820 -6*e_2_2_0)
118821 e_2_3_1 = zetb*( c1*e_1_3_0 &
118822 +c3*e_2_3_0&
118823 +6*e_3_3_0 &
118824 )
118825 e_3_4_0 = zeta*( c1*e_2_3_0 &
118826 +c2*e_3_3_0&
118827
118828 )
118829 e_3_3_1 = zetb*( c1*e_2_3_0 &
118830 +c3*e_3_3_0&
118831
118832 )
118833 e_4_4_0 = zeta*( c1*e_3_3_0 &
118834
118835
118836 )
118837 e_4_3_1 = zetb*( c1*e_3_3_0 &
118838
118839
118840 )
118841 e_0_4_1 = zetb*( &
118842 +c3*e_0_4_0&
118843 +2*e_1_4_0 &
118844 )
118845 e_1_4_1 = zetb*( c1*e_0_4_0 &
118846 +c3*e_1_4_0&
118847 +4*e_2_4_0 &
118848 )
118849 e_2_4_1 = zetb*( c1*e_1_4_0 &
118850 +c3*e_2_4_0&
118851 +6*e_3_4_0 &
118852 )
118853 e_3_4_1 = zetb*( c1*e_2_4_0 &
118854 +c3*e_3_4_0&
118855 +8*e_4_4_0 &
118856 )
118857 e_4_4_1 = zetb*( c1*e_3_4_0 &
118858 +c3*e_4_4_0&
118859
118860 )
118861 e_5_4_1 = zetb*( c1*e_4_4_0 &
118862
118863
118864 )
118865 e_0_1_1 = zeta*( &
118866 +c2*e_0_0_1&
118867 +2*e_1_0_1 &
118868 )
118869 e_0_0_2 = zetb*( &
118870 +c3*e_0_0_1&
118871 +2*e_1_0_1 &
118872 -2*e_0_0_0)
118873 e_1_1_1 = zeta*( c1*e_0_0_1 &
118874 +c2*e_1_0_1&
118875
118876 )
118877 e_1_0_2 = zetb*( c1*e_0_0_1 &
118878 +c3*e_1_0_1&
118879
118880 )
118881 e_2_1_1 = zeta*( c1*e_1_0_1 &
118882
118883
118884 )
118885 e_2_0_2 = zetb*( c1*e_1_0_1 &
118886
118887
118888 )
118889 e_0_2_1 = zeta*( &
118890 +c2*e_0_1_1&
118891 +2*e_1_1_1 &
118892 -2*e_0_0_1)
118893 e_0_1_2 = zetb*( &
118894 +c3*e_0_1_1&
118895 +2*e_1_1_1 &
118896 -2*e_0_1_0)
118897 e_1_2_1 = zeta*( c1*e_0_1_1 &
118898 +c2*e_1_1_1&
118899 +4*e_2_1_1 &
118900 -2*e_1_0_1)
118901 e_1_1_2 = zetb*( c1*e_0_1_1 &
118902 +c3*e_1_1_1&
118903 +4*e_2_1_1 &
118904 -2*e_1_1_0)
118905 e_2_2_1 = zeta*( c1*e_1_1_1 &
118906 +c2*e_2_1_1&
118907
118908 )
118909 e_2_1_2 = zetb*( c1*e_1_1_1 &
118910 +c3*e_2_1_1&
118911
118912 )
118913 e_3_2_1 = zeta*( c1*e_2_1_1 &
118914
118915
118916 )
118917 e_3_1_2 = zetb*( c1*e_2_1_1 &
118918
118919
118920 )
118921 e_0_3_1 = zeta*( &
118922 +c2*e_0_2_1&
118923 +2*e_1_2_1 &
118924 -4*e_0_1_1)
118925 e_0_2_2 = zetb*( &
118926 +c3*e_0_2_1&
118927 +2*e_1_2_1 &
118928 -2*e_0_2_0)
118929 e_1_3_1 = zeta*( c1*e_0_2_1 &
118930 +c2*e_1_2_1&
118931 +4*e_2_2_1 &
118932 -4*e_1_1_1)
118933 e_1_2_2 = zetb*( c1*e_0_2_1 &
118934 +c3*e_1_2_1&
118935 +4*e_2_2_1 &
118936 -2*e_1_2_0)
118937 e_2_3_1 = zeta*( c1*e_1_2_1 &
118938 +c2*e_2_2_1&
118939 +6*e_3_2_1 &
118940 -4*e_2_1_1)
118941 e_2_2_2 = zetb*( c1*e_1_2_1 &
118942 +c3*e_2_2_1&
118943 +6*e_3_2_1 &
118944 -2*e_2_2_0)
118945 e_3_3_1 = zeta*( c1*e_2_2_1 &
118946 +c2*e_3_2_1&
118947
118948 )
118949 e_3_2_2 = zetb*( c1*e_2_2_1 &
118950 +c3*e_3_2_1&
118951
118952 )
118953 e_4_3_1 = zeta*( c1*e_3_2_1 &
118954
118955
118956 )
118957 e_4_2_2 = zetb*( c1*e_3_2_1 &
118958
118959
118960 )
118961 e_0_4_1 = zeta*( &
118962 +c2*e_0_3_1&
118963 +2*e_1_3_1 &
118964 -6*e_0_2_1)
118965 e_0_3_2 = zetb*( &
118966 +c3*e_0_3_1&
118967 +2*e_1_3_1 &
118968 -2*e_0_3_0)
118969 e_1_4_1 = zeta*( c1*e_0_3_1 &
118970 +c2*e_1_3_1&
118971 +4*e_2_3_1 &
118972 -6*e_1_2_1)
118973 e_1_3_2 = zetb*( c1*e_0_3_1 &
118974 +c3*e_1_3_1&
118975 +4*e_2_3_1 &
118976 -2*e_1_3_0)
118977 e_2_4_1 = zeta*( c1*e_1_3_1 &
118978 +c2*e_2_3_1&
118979 +6*e_3_3_1 &
118980 -6*e_2_2_1)
118981 e_2_3_2 = zetb*( c1*e_1_3_1 &
118982 +c3*e_2_3_1&
118983 +6*e_3_3_1 &
118984 -2*e_2_3_0)
118985 e_3_4_1 = zeta*( c1*e_2_3_1 &
118986 +c2*e_3_3_1&
118987 +8*e_4_3_1 &
118988 -6*e_3_2_1)
118989 e_3_3_2 = zetb*( c1*e_2_3_1 &
118990 +c3*e_3_3_1&
118991 +8*e_4_3_1 &
118992 -2*e_3_3_0)
118993 e_4_4_1 = zeta*( c1*e_3_3_1 &
118994 +c2*e_4_3_1&
118995
118996 )
118997 e_4_3_2 = zetb*( c1*e_3_3_1 &
118998 +c3*e_4_3_1&
118999
119000 )
119001 e_5_4_1 = zeta*( c1*e_4_3_1 &
119002
119003
119004 )
119005 e_5_3_2 = zetb*( c1*e_4_3_1 &
119006
119007
119008 )
119009 e_0_4_2 = zetb*( &
119010 +c3*e_0_4_1&
119011 +2*e_1_4_1 &
119012 -2*e_0_4_0)
119013 e_1_4_2 = zetb*( c1*e_0_4_1 &
119014 +c3*e_1_4_1&
119015 +4*e_2_4_1 &
119016 -2*e_1_4_0)
119017 e_2_4_2 = zetb*( c1*e_1_4_1 &
119018 +c3*e_2_4_1&
119019 +6*e_3_4_1 &
119020 -2*e_2_4_0)
119021 e_3_4_2 = zetb*( c1*e_2_4_1 &
119022 +c3*e_3_4_1&
119023 +8*e_4_4_1 &
119024 -2*e_3_4_0)
119025 e_4_4_2 = zetb*( c1*e_3_4_1 &
119026 +c3*e_4_4_1&
119027 +10*e_5_4_1 &
119028 -2*e_4_4_0)
119029 e_5_4_2 = zetb*( c1*e_4_4_1 &
119030 +c3*e_5_4_1&
119031
119032 )
119033 e_6_4_2 = zetb*( c1*e_5_4_1 &
119034
119035
119036 )
119037 e_0_1_2 = zeta*( &
119038 +c2*e_0_0_2&
119039 +2*e_1_0_2 &
119040 )
119041 e_0_0_3 = zetb*( &
119042 +c3*e_0_0_2&
119043 +2*e_1_0_2 &
119044 -4*e_0_0_1)
119045 e_1_1_2 = zeta*( c1*e_0_0_2 &
119046 +c2*e_1_0_2&
119047 +4*e_2_0_2 &
119048 )
119049 e_1_0_3 = zetb*( c1*e_0_0_2 &
119050 +c3*e_1_0_2&
119051 +4*e_2_0_2 &
119052 -4*e_1_0_1)
119053 e_2_1_2 = zeta*( c1*e_1_0_2 &
119054 +c2*e_2_0_2&
119055
119056 )
119057 e_2_0_3 = zetb*( c1*e_1_0_2 &
119058 +c3*e_2_0_2&
119059
119060 )
119061 e_3_1_2 = zeta*( c1*e_2_0_2 &
119062
119063
119064 )
119065 e_3_0_3 = zetb*( c1*e_2_0_2 &
119066
119067
119068 )
119069 e_0_2_2 = zeta*( &
119070 +c2*e_0_1_2&
119071 +2*e_1_1_2 &
119072 -2*e_0_0_2)
119073 e_0_1_3 = zetb*( &
119074 +c3*e_0_1_2&
119075 +2*e_1_1_2 &
119076 -4*e_0_1_1)
119077 e_1_2_2 = zeta*( c1*e_0_1_2 &
119078 +c2*e_1_1_2&
119079 +4*e_2_1_2 &
119080 -2*e_1_0_2)
119081 e_1_1_3 = zetb*( c1*e_0_1_2 &
119082 +c3*e_1_1_2&
119083 +4*e_2_1_2 &
119084 -4*e_1_1_1)
119085 e_2_2_2 = zeta*( c1*e_1_1_2 &
119086 +c2*e_2_1_2&
119087 +6*e_3_1_2 &
119088 -2*e_2_0_2)
119089 e_2_1_3 = zetb*( c1*e_1_1_2 &
119090 +c3*e_2_1_2&
119091 +6*e_3_1_2 &
119092 -4*e_2_1_1)
119093 e_3_2_2 = zeta*( c1*e_2_1_2 &
119094 +c2*e_3_1_2&
119095
119096 )
119097 e_3_1_3 = zetb*( c1*e_2_1_2 &
119098 +c3*e_3_1_2&
119099
119100 )
119101 e_4_2_2 = zeta*( c1*e_3_1_2 &
119102
119103
119104 )
119105 e_4_1_3 = zetb*( c1*e_3_1_2 &
119106
119107
119108 )
119109 e_0_3_2 = zeta*( &
119110 +c2*e_0_2_2&
119111 +2*e_1_2_2 &
119112 -4*e_0_1_2)
119113 e_0_2_3 = zetb*( &
119114 +c3*e_0_2_2&
119115 +2*e_1_2_2 &
119116 -4*e_0_2_1)
119117 e_1_3_2 = zeta*( c1*e_0_2_2 &
119118 +c2*e_1_2_2&
119119 +4*e_2_2_2 &
119120 -4*e_1_1_2)
119121 e_1_2_3 = zetb*( c1*e_0_2_2 &
119122 +c3*e_1_2_2&
119123 +4*e_2_2_2 &
119124 -4*e_1_2_1)
119125 e_2_3_2 = zeta*( c1*e_1_2_2 &
119126 +c2*e_2_2_2&
119127 +6*e_3_2_2 &
119128 -4*e_2_1_2)
119129 e_2_2_3 = zetb*( c1*e_1_2_2 &
119130 +c3*e_2_2_2&
119131 +6*e_3_2_2 &
119132 -4*e_2_2_1)
119133 e_3_3_2 = zeta*( c1*e_2_2_2 &
119134 +c2*e_3_2_2&
119135 +8*e_4_2_2 &
119136 -4*e_3_1_2)
119137 e_3_2_3 = zetb*( c1*e_2_2_2 &
119138 +c3*e_3_2_2&
119139 +8*e_4_2_2 &
119140 -4*e_3_2_1)
119141 e_4_3_2 = zeta*( c1*e_3_2_2 &
119142 +c2*e_4_2_2&
119143
119144 )
119145 e_4_2_3 = zetb*( c1*e_3_2_2 &
119146 +c3*e_4_2_2&
119147
119148 )
119149 e_5_3_2 = zeta*( c1*e_4_2_2 &
119150
119151
119152 )
119153 e_5_2_3 = zetb*( c1*e_4_2_2 &
119154
119155
119156 )
119157 e_0_4_2 = zeta*( &
119158 +c2*e_0_3_2&
119159 +2*e_1_3_2 &
119160 -6*e_0_2_2)
119161 e_0_3_3 = zetb*( &
119162 +c3*e_0_3_2&
119163 +2*e_1_3_2 &
119164 -4*e_0_3_1)
119165 e_1_4_2 = zeta*( c1*e_0_3_2 &
119166 +c2*e_1_3_2&
119167 +4*e_2_3_2 &
119168 -6*e_1_2_2)
119169 e_1_3_3 = zetb*( c1*e_0_3_2 &
119170 +c3*e_1_3_2&
119171 +4*e_2_3_2 &
119172 -4*e_1_3_1)
119173 e_2_4_2 = zeta*( c1*e_1_3_2 &
119174 +c2*e_2_3_2&
119175 +6*e_3_3_2 &
119176 -6*e_2_2_2)
119177 e_2_3_3 = zetb*( c1*e_1_3_2 &
119178 +c3*e_2_3_2&
119179 +6*e_3_3_2 &
119180 -4*e_2_3_1)
119181 e_3_4_2 = zeta*( c1*e_2_3_2 &
119182 +c2*e_3_3_2&
119183 +8*e_4_3_2 &
119184 -6*e_3_2_2)
119185 e_3_3_3 = zetb*( c1*e_2_3_2 &
119186 +c3*e_3_3_2&
119187 +8*e_4_3_2 &
119188 -4*e_3_3_1)
119189 e_4_4_2 = zeta*( c1*e_3_3_2 &
119190 +c2*e_4_3_2&
119191 +10*e_5_3_2 &
119192 -6*e_4_2_2)
119193 e_4_3_3 = zetb*( c1*e_3_3_2 &
119194 +c3*e_4_3_2&
119195 +10*e_5_3_2 &
119196 -4*e_4_3_1)
119197 e_5_4_2 = zeta*( c1*e_4_3_2 &
119198 +c2*e_5_3_2&
119199
119200 )
119201 e_5_3_3 = zetb*( c1*e_4_3_2 &
119202 +c3*e_5_3_2&
119203
119204 )
119205 e_6_4_2 = zeta*( c1*e_5_3_2 &
119206
119207
119208 )
119209 e_6_3_3 = zetb*( c1*e_5_3_2 &
119210
119211
119212 )
119213 e_0_4_3 = zetb*( &
119214 +c3*e_0_4_2&
119215 +2*e_1_4_2 &
119216 -4*e_0_4_1)
119217 e_1_4_3 = zetb*( c1*e_0_4_2 &
119218 +c3*e_1_4_2&
119219 +4*e_2_4_2 &
119220 -4*e_1_4_1)
119221 e_2_4_3 = zetb*( c1*e_1_4_2 &
119222 +c3*e_2_4_2&
119223 +6*e_3_4_2 &
119224 -4*e_2_4_1)
119225 e_3_4_3 = zetb*( c1*e_2_4_2 &
119226 +c3*e_3_4_2&
119227 +8*e_4_4_2 &
119228 -4*e_3_4_1)
119229 e_4_4_3 = zetb*( c1*e_3_4_2 &
119230 +c3*e_4_4_2&
119231 +10*e_5_4_2 &
119232 -4*e_4_4_1)
119233 e_5_4_3 = zetb*( c1*e_4_4_2 &
119234 +c3*e_5_4_2&
119235 +12*e_6_4_2 &
119236 -4*e_5_4_1)
119237 e_6_4_3 = zetb*( c1*e_5_4_2 &
119238 +c3*e_6_4_2&
119239
119240 )
119241 e_7_4_3 = zetb*( c1*e_6_4_2 &
119242
119243
119244 )
119245 e_0_1_3 = zeta*( &
119246 +c2*e_0_0_3&
119247 +2*e_1_0_3 &
119248 )
119249 e_0_0_4 = zetb*( &
119250 +c3*e_0_0_3&
119251 +2*e_1_0_3 &
119252 -6*e_0_0_2)
119253 e_1_1_3 = zeta*( c1*e_0_0_3 &
119254 +c2*e_1_0_3&
119255 +4*e_2_0_3 &
119256 )
119257 e_1_0_4 = zetb*( c1*e_0_0_3 &
119258 +c3*e_1_0_3&
119259 +4*e_2_0_3 &
119260 -6*e_1_0_2)
119261 e_2_1_3 = zeta*( c1*e_1_0_3 &
119262 +c2*e_2_0_3&
119263 +6*e_3_0_3 &
119264 )
119265 e_2_0_4 = zetb*( c1*e_1_0_3 &
119266 +c3*e_2_0_3&
119267 +6*e_3_0_3 &
119268 -6*e_2_0_2)
119269 e_3_1_3 = zeta*( c1*e_2_0_3 &
119270 +c2*e_3_0_3&
119271
119272 )
119273 e_3_0_4 = zetb*( c1*e_2_0_3 &
119274 +c3*e_3_0_3&
119275
119276 )
119277 e_4_1_3 = zeta*( c1*e_3_0_3 &
119278
119279
119280 )
119281 e_4_0_4 = zetb*( c1*e_3_0_3 &
119282
119283
119284 )
119285 e_0_2_3 = zeta*( &
119286 +c2*e_0_1_3&
119287 +2*e_1_1_3 &
119288 -2*e_0_0_3)
119289 e_0_1_4 = zetb*( &
119290 +c3*e_0_1_3&
119291 +2*e_1_1_3 &
119292 -6*e_0_1_2)
119293 e_1_2_3 = zeta*( c1*e_0_1_3 &
119294 +c2*e_1_1_3&
119295 +4*e_2_1_3 &
119296 -2*e_1_0_3)
119297 e_1_1_4 = zetb*( c1*e_0_1_3 &
119298 +c3*e_1_1_3&
119299 +4*e_2_1_3 &
119300 -6*e_1_1_2)
119301 e_2_2_3 = zeta*( c1*e_1_1_3 &
119302 +c2*e_2_1_3&
119303 +6*e_3_1_3 &
119304 -2*e_2_0_3)
119305 e_2_1_4 = zetb*( c1*e_1_1_3 &
119306 +c3*e_2_1_3&
119307 +6*e_3_1_3 &
119308 -6*e_2_1_2)
119309 e_3_2_3 = zeta*( c1*e_2_1_3 &
119310 +c2*e_3_1_3&
119311 +8*e_4_1_3 &
119312 -2*e_3_0_3)
119313 e_3_1_4 = zetb*( c1*e_2_1_3 &
119314 +c3*e_3_1_3&
119315 +8*e_4_1_3 &
119316 -6*e_3_1_2)
119317 e_4_2_3 = zeta*( c1*e_3_1_3 &
119318 +c2*e_4_1_3&
119319
119320 )
119321 e_4_1_4 = zetb*( c1*e_3_1_3 &
119322 +c3*e_4_1_3&
119323
119324 )
119325 e_5_2_3 = zeta*( c1*e_4_1_3 &
119326
119327
119328 )
119329 e_5_1_4 = zetb*( c1*e_4_1_3 &
119330
119331
119332 )
119333 e_0_3_3 = zeta*( &
119334 +c2*e_0_2_3&
119335 +2*e_1_2_3 &
119336 -4*e_0_1_3)
119337 e_0_2_4 = zetb*( &
119338 +c3*e_0_2_3&
119339 +2*e_1_2_3 &
119340 -6*e_0_2_2)
119341 e_1_3_3 = zeta*( c1*e_0_2_3 &
119342 +c2*e_1_2_3&
119343 +4*e_2_2_3 &
119344 -4*e_1_1_3)
119345 e_1_2_4 = zetb*( c1*e_0_2_3 &
119346 +c3*e_1_2_3&
119347 +4*e_2_2_3 &
119348 -6*e_1_2_2)
119349 e_2_3_3 = zeta*( c1*e_1_2_3 &
119350 +c2*e_2_2_3&
119351 +6*e_3_2_3 &
119352 -4*e_2_1_3)
119353 e_2_2_4 = zetb*( c1*e_1_2_3 &
119354 +c3*e_2_2_3&
119355 +6*e_3_2_3 &
119356 -6*e_2_2_2)
119357 e_3_3_3 = zeta*( c1*e_2_2_3 &
119358 +c2*e_3_2_3&
119359 +8*e_4_2_3 &
119360 -4*e_3_1_3)
119361 e_3_2_4 = zetb*( c1*e_2_2_3 &
119362 +c3*e_3_2_3&
119363 +8*e_4_2_3 &
119364 -6*e_3_2_2)
119365 e_4_3_3 = zeta*( c1*e_3_2_3 &
119366 +c2*e_4_2_3&
119367 +10*e_5_2_3 &
119368 -4*e_4_1_3)
119369 e_4_2_4 = zetb*( c1*e_3_2_3 &
119370 +c3*e_4_2_3&
119371 +10*e_5_2_3 &
119372 -6*e_4_2_2)
119373 e_5_3_3 = zeta*( c1*e_4_2_3 &
119374 +c2*e_5_2_3&
119375
119376 )
119377 e_5_2_4 = zetb*( c1*e_4_2_3 &
119378 +c3*e_5_2_3&
119379
119380 )
119381 e_6_3_3 = zeta*( c1*e_5_2_3 &
119382
119383
119384 )
119385 e_6_2_4 = zetb*( c1*e_5_2_3 &
119386
119387
119388 )
119389 e_0_4_3 = zeta*( &
119390 +c2*e_0_3_3&
119391 +2*e_1_3_3 &
119392 -6*e_0_2_3)
119393 e_0_3_4 = zetb*( &
119394 +c3*e_0_3_3&
119395 +2*e_1_3_3 &
119396 -6*e_0_3_2)
119397 e_1_4_3 = zeta*( c1*e_0_3_3 &
119398 +c2*e_1_3_3&
119399 +4*e_2_3_3 &
119400 -6*e_1_2_3)
119401 e_1_3_4 = zetb*( c1*e_0_3_3 &
119402 +c3*e_1_3_3&
119403 +4*e_2_3_3 &
119404 -6*e_1_3_2)
119405 e_2_4_3 = zeta*( c1*e_1_3_3 &
119406 +c2*e_2_3_3&
119407 +6*e_3_3_3 &
119408 -6*e_2_2_3)
119409 e_2_3_4 = zetb*( c1*e_1_3_3 &
119410 +c3*e_2_3_3&
119411 +6*e_3_3_3 &
119412 -6*e_2_3_2)
119413 e_3_4_3 = zeta*( c1*e_2_3_3 &
119414 +c2*e_3_3_3&
119415 +8*e_4_3_3 &
119416 -6*e_3_2_3)
119417 e_3_3_4 = zetb*( c1*e_2_3_3 &
119418 +c3*e_3_3_3&
119419 +8*e_4_3_3 &
119420 -6*e_3_3_2)
119421 e_4_4_3 = zeta*( c1*e_3_3_3 &
119422 +c2*e_4_3_3&
119423 +10*e_5_3_3 &
119424 -6*e_4_2_3)
119425 e_4_3_4 = zetb*( c1*e_3_3_3 &
119426 +c3*e_4_3_3&
119427 +10*e_5_3_3 &
119428 -6*e_4_3_2)
119429 e_5_4_3 = zeta*( c1*e_4_3_3 &
119430 +c2*e_5_3_3&
119431 +12*e_6_3_3 &
119432 -6*e_5_2_3)
119433 e_5_3_4 = zetb*( c1*e_4_3_3 &
119434 +c3*e_5_3_3&
119435 +12*e_6_3_3 &
119436 -6*e_5_3_2)
119437 e_6_4_3 = zeta*( c1*e_5_3_3 &
119438 +c2*e_6_3_3&
119439
119440 )
119441 e_6_3_4 = zetb*( c1*e_5_3_3 &
119442 +c3*e_6_3_3&
119443
119444 )
119445 e_7_4_3 = zeta*( c1*e_6_3_3 &
119446
119447
119448 )
119449 e_7_3_4 = zetb*( c1*e_6_3_3 &
119450
119451
119452 )
119453 e_0_4_4 = zetb*( &
119454 +c3*e_0_4_3&
119455 +2*e_1_4_3 &
119456 -6*e_0_4_2)
119457 e_1_4_4 = zetb*( c1*e_0_4_3 &
119458 +c3*e_1_4_3&
119459 +4*e_2_4_3 &
119460 -6*e_1_4_2)
119461 e_2_4_4 = zetb*( c1*e_1_4_3 &
119462 +c3*e_2_4_3&
119463 +6*e_3_4_3 &
119464 -6*e_2_4_2)
119465 e_3_4_4 = zetb*( c1*e_2_4_3 &
119466 +c3*e_3_4_3&
119467 +8*e_4_4_3 &
119468 -6*e_3_4_2)
119469 e_4_4_4 = zetb*( c1*e_3_4_3 &
119470 +c3*e_4_4_3&
119471 +10*e_5_4_3 &
119472 -6*e_4_4_2)
119473 e_5_4_4 = zetb*( c1*e_4_4_3 &
119474 +c3*e_5_4_3&
119475 +12*e_6_4_3 &
119476 -6*e_5_4_2)
119477 e_6_4_4 = zetb*( c1*e_5_4_3 &
119478 +c3*e_6_4_3&
119479 +14*e_7_4_3 &
119480 -6*e_6_4_2)
119481 e_7_4_4 = zetb*( c1*e_6_4_3 &
119482 +c3*e_7_4_3&
119483
119484 )
119485 e_8_4_4 = zetb*( c1*e_7_4_3 &
119486
119487
119488 )
119489 e_0_1_4 = zeta*( &
119490 +c2*e_0_0_4&
119491 +2*e_1_0_4 &
119492 )
119493 e_1_1_4 = zeta*( c1*e_0_0_4 &
119494 +c2*e_1_0_4&
119495 +4*e_2_0_4 &
119496 )
119497 e_2_1_4 = zeta*( c1*e_1_0_4 &
119498 +c2*e_2_0_4&
119499 +6*e_3_0_4 &
119500 )
119501 e_3_1_4 = zeta*( c1*e_2_0_4 &
119502 +c2*e_3_0_4&
119503 +8*e_4_0_4 &
119504 )
119505 e_4_1_4 = zeta*( c1*e_3_0_4 &
119506 +c2*e_4_0_4&
119507
119508 )
119509 e_5_1_4 = zeta*( c1*e_4_0_4 &
119510
119511
119512 )
119513 e_0_2_4 = zeta*( &
119514 +c2*e_0_1_4&
119515 +2*e_1_1_4 &
119516 -2*e_0_0_4)
119517 e_1_2_4 = zeta*( c1*e_0_1_4 &
119518 +c2*e_1_1_4&
119519 +4*e_2_1_4 &
119520 -2*e_1_0_4)
119521 e_2_2_4 = zeta*( c1*e_1_1_4 &
119522 +c2*e_2_1_4&
119523 +6*e_3_1_4 &
119524 -2*e_2_0_4)
119525 e_3_2_4 = zeta*( c1*e_2_1_4 &
119526 +c2*e_3_1_4&
119527 +8*e_4_1_4 &
119528 -2*e_3_0_4)
119529 e_4_2_4 = zeta*( c1*e_3_1_4 &
119530 +c2*e_4_1_4&
119531 +10*e_5_1_4 &
119532 -2*e_4_0_4)
119533 e_5_2_4 = zeta*( c1*e_4_1_4 &
119534 +c2*e_5_1_4&
119535
119536 )
119537 e_6_2_4 = zeta*( c1*e_5_1_4 &
119538
119539
119540 )
119541 e_0_3_4 = zeta*( &
119542 +c2*e_0_2_4&
119543 +2*e_1_2_4 &
119544 -4*e_0_1_4)
119545 e_1_3_4 = zeta*( c1*e_0_2_4 &
119546 +c2*e_1_2_4&
119547 +4*e_2_2_4 &
119548 -4*e_1_1_4)
119549 e_2_3_4 = zeta*( c1*e_1_2_4 &
119550 +c2*e_2_2_4&
119551 +6*e_3_2_4 &
119552 -4*e_2_1_4)
119553 e_3_3_4 = zeta*( c1*e_2_2_4 &
119554 +c2*e_3_2_4&
119555 +8*e_4_2_4 &
119556 -4*e_3_1_4)
119557 e_4_3_4 = zeta*( c1*e_3_2_4 &
119558 +c2*e_4_2_4&
119559 +10*e_5_2_4 &
119560 -4*e_4_1_4)
119561 e_5_3_4 = zeta*( c1*e_4_2_4 &
119562 +c2*e_5_2_4&
119563 +12*e_6_2_4 &
119564 -4*e_5_1_4)
119565 e_6_3_4 = zeta*( c1*e_5_2_4 &
119566 +c2*e_6_2_4&
119567
119568 )
119569 e_7_3_4 = zeta*( c1*e_6_2_4 &
119570
119571
119572 )
119573 e_0_4_4 = zeta*( &
119574 +c2*e_0_3_4&
119575 +2*e_1_3_4 &
119576 -6*e_0_2_4)
119577 e_1_4_4 = zeta*( c1*e_0_3_4 &
119578 +c2*e_1_3_4&
119579 +4*e_2_3_4 &
119580 -6*e_1_2_4)
119581 e_2_4_4 = zeta*( c1*e_1_3_4 &
119582 +c2*e_2_3_4&
119583 +6*e_3_3_4 &
119584 -6*e_2_2_4)
119585 e_3_4_4 = zeta*( c1*e_2_3_4 &
119586 +c2*e_3_3_4&
119587 +8*e_4_3_4 &
119588 -6*e_3_2_4)
119589 e_4_4_4 = zeta*( c1*e_3_3_4 &
119590 +c2*e_4_3_4&
119591 +10*e_5_3_4 &
119592 -6*e_4_2_4)
119593 e_5_4_4 = zeta*( c1*e_4_3_4 &
119594 +c2*e_5_3_4&
119595 +12*e_6_3_4 &
119596 -6*e_5_2_4)
119597 e_6_4_4 = zeta*( c1*e_5_3_4 &
119598 +c2*e_6_3_4&
119599 +14*e_7_3_4 &
119600 -6*e_6_2_4)
119601 e_7_4_4 = zeta*( c1*e_6_3_4 &
119602 +c2*e_7_3_4&
119603
119604 )
119605 e_8_4_4 = zeta*( c1*e_7_3_4 &
119606
119607
119608 )
119609
119610 s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
119611 s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
119612 s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
119613 s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
119614 s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
119615 s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
119616 s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
119617 s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
119618 s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
119619 s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
119620 s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
119621 s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
119622 s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
119623 s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
119624 s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
119625 s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
119626 s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
119627 s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
119628 s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
119629 s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
119630 s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
119631 s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
119632 s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
119633 s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
119634 s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
119635 s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
119636 s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
119637 s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
119638 s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
119639 s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
119640 s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
119641 s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
119642 s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
119643 s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
119644 s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
119645 s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
119646 s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
119647 s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
119648 s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
119649 s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
119650 s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
119651 s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
119652 s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
119653 s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
119654 s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
119655 s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
119656 s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
119657 s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
119658 s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
119659 s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
119660 s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
119661 s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
119662 s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
119663 s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
119664 s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
119665 s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
119666 s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
119667 s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
119668 s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
119669 s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
119670 s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
119671 s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
119672 s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
119673 s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
119674 s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
119675 s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
119676 s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
119677 s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
119678 s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
119679 s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
119680 s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
119681 s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
119682 s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
119683 s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
119684 s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
119685 s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
119686 s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
119687 s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
119688 s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
119689 s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
119690 s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
119691 s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
119692 s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
119693 s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
119694 s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
119695 s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
119696 s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
119697 s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
119698 s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
119699 s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
119700 s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
119701 s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
119702 s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
119703 s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
119704 s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
119705 s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
119706 s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
119707 s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
119708 s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
119709 s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
119710 s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
119711 s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
119712 s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
119713 s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
119714 s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
119715 s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
119716 s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
119717 s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
119718 s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
119719 s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
119720 s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
119721 s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
119722 s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
119723 s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
119724 s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
119725 s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
119726 s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
119727 s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
119728 s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
119729 s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
119730 s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
119731 s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
119732 s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
119733 s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
119734 s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
119735 s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
119736 s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
119737 s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
119738 s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
119739 s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
119740 s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
119741 s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
119742 s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
119743 s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
119744 s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
119745 s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
119746 s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
119747 s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
119748 s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
119749 s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
119750 s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
119751 s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
119752 s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
119753 s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
119754 s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
119755 s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
119756 s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
119757 s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
119758 s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
119759 s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
119760 s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
119761 s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
119762 s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
119763 s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
119764 s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
119765 s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
119766 s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
119767 s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
119768 s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
119769 s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
119770 s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
119771 s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
119772 s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
119773 s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
119774 s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
119775 s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
119776 s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
119777 s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
119778 s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
119779 s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
119780 s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
119781 s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
119782 s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
119783 s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
119784 s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
119785 s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
119786 s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
119787 s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
119788 s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
119789 s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
119790 s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
119791 s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
119792 s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
119793 s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
119794 s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
119795 s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
119796 s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
119797 s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
119798 s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
119799 s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
119800 s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
119801 s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
119802 s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
119803 s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
119804 s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
119805 s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
119806 s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
119807 s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
119808 s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
119809 s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
119810 s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
119811 s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
119812 s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
119813 s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
119814 s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
119815 s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
119816 s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
119817 s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
119818 s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
119819 s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
119820 s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
119821 s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
119822 s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
119823 s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
119824 s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
119825 s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
119826 s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
119827 s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
119828 s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
119829 s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
119830 s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
119831 s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
119832 s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
119833 s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
119834 s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
119835 s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
119836 s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
119837 s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
119838 s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
119839 s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
119840 s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
119841 s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
119842 s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
119843 s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
119844 s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
119845 s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
119846 s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
119847 s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
119848 s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
119849 s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
119850 s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
119851 s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
119852 s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
119853 s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
119854 s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
119855 s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
119856 s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
119857 s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
119858 s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
119859 s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
119860 s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
119861 s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
119862 s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
119863 s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
119864 s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
119865 s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
119866 s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
119867 s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
119868 s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
119869 s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
119870 s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
119871 s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
119872 s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
119873 s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
119874 s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
119875 s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
119876 s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
119877 s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
119878 s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
119879 s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
119880 s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
119881 s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
119882 s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
119883 s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
119884 s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
119885 s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
119886 s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
119887 s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
119888 s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
119889 s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
119890 s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
119891 s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
119892 s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
119893 s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
119894 s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
119895 s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
119896 s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
119897 s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
119898 s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
119899 s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
119900 s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
119901 s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
119902 s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
119903 s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
119904 s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
119905 s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
119906 s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
119907 s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
119908 s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
119909 s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
119910 s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
119911 s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
119912 s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
119913 s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
119914 s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
119915 s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
119916 s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
119917 s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
119918 s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
119919 s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
119920 s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
119921 s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
119922 s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
119923 s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
119924 s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
119925 s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
119926 s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
119927 s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
119928 s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
119929 s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
119930 s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
119931 s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
119932 s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
119933 s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
119934 s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
119935 s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
119936 s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
119937 s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
119938 s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
119939 s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
119940 s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
119941 s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
119942 s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
119943 s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
119944 s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
119945 s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
119946 s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
119947 s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
119948 s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
119949 s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
119950 s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
119951 s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
119952 s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
119953 s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
119954 s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
119955 s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
119956 s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
119957 s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
119958 s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
119959 s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
119960 s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
119961 s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
119962 s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
119963 s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
119964 s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
119965 s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
119966 s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
119967 s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
119968 s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
119969 s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
119970 s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
119971 s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
119972 s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
119973 s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
119974 s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
119975 s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
119976 s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
119977 s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
119978 s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
119979 s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
119980 s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
119981 s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
119982 s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
119983 s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
119984 s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
119985 s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
119986 s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
119987 s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
119988 s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
119989 s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
119990 s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
119991 s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
119992 s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
119993 s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
119994 s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
119995 s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
119996 s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
119997 s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
119998 s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
119999 s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
120000 s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
120001 s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
120002 s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
120003 s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
120004 s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
120005 s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
120006 s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
120007 s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
120008 s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
120009 s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
120010 s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
120011 s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
120012 s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
120013 s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
120014 s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
120015 s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
120016 s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
120017 s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
120018 s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
120019 s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
120020 s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
120021 s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
120022 s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
120023 s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
120024 s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
120025 s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
120026 s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
120027 s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
120028 s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
120029 s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
120030 s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
120031 s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
120032 s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
120033 s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
120034 s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
120035 s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
120036 s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
120037 s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
120038 s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
120039 s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
120040 s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
120041 s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
120042 s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
120043 s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
120044 s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
120045 s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
120046 s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
120047 s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
120048 s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
120049 s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
120050 s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
120051 s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
120052 s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
120053 s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
120054 s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
120055 s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
120056 s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
120057 s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
120058 s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
120059 s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
120060 s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
120061 s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
120062 s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
120063 s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
120064 s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
120065 s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
120066 s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
120067 s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
120068 s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
120069 s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
120070 s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
120071 s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
120072 s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
120073 s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
120074 s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
120075 s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
120076 s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
120077 s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
120078 s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
120079 s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
120080 s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
120081 s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
120082 s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
120083 s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
120084 s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
120085 s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
120086 s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
120087 s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
120088 s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
120089 s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
120090 s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
120091 s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
120092 s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
120093 s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
120094 s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
120095 s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
120096 s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
120097 s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
120098 s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
120099 s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
120100 s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
120101 s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
120102 s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
120103 s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
120104 s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
120105 s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
120106 s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
120107 s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
120108 s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
120109 s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
120110 s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
120111 s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
120112 s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
120113 s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
120114 s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
120115 s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
120116 s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
120117 s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
120118 s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
120119 s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
120120 s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
120121 s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
120122 s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
120123 s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
120124 s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
120125 s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
120126 s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
120127 s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
120128 s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
120129 s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
120130 s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
120131 s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
120132 s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
120133 s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
120134 s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
120135 s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
120136 s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
120137 s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
120138 s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
120139 s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
120140 s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
120141 s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
120142 s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
120143 s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
120144 s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
120145 s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
120146 s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
120147 s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
120148 s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
120149 s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
120150 s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
120151 s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
120152 s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
120153 s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
120154 s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
120155 s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
120156 s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
120157 s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
120158 s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
120159 s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
120160 s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
120161 s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
120162 s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
120163 s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
120164 s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
120165 s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
120166 s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
120167 s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
120168 s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
120169 s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
120170 s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
120171 s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
120172 s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
120173 s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
120174 s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
120175 s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
120176 s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
120177 s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
120178 s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
120179 s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
120180 s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
120181 s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
120182 s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
120183 s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
120184 s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
120185 s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
120186 s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
120187 s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
120188 s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
120189 s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
120190 s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
120191 s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
120192 s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
120193 s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
120194 s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
120195 s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
120196 s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
120197 s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
120198 s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
120199 s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
120200 s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
120201 s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
120202 s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
120203 s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
120204 s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
120205 s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
120206 s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
120207 s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
120208 s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
120209 s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
120210 s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
120211 s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
120212 s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
120213 s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
120214 s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
120215 s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
120216 s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
120217 s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
120218 s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
120219 s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
120220 s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
120221 s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
120222 s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
120223 s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
120224 s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
120225 s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
120226 s_r(4, 4, 4) = s_r(4, 4, 4) + e_0_4_4*(1)*s_r_t2_4 ! cost: 5 flops
120227 s_r(4, 4, 4) = s_r(4, 4, 4) + e_1_4_4*(1)*s_r_t2_5 ! cost: 5 flops
120228 s_r(4, 4, 4) = s_r(4, 4, 4) + e_2_4_4*(1)*s_r_t2_6 ! cost: 5 flops
120229 s_r(4, 4, 4) = s_r(4, 4, 4) + e_3_4_4*(1)*s_r_t2_7 ! cost: 5 flops
120230 s_r(4, 4, 4) = s_r(4, 4, 4) + e_4_4_4*(1)*s_r_t2_8 ! cost: 5 flops
120231 s_r(4, 4, 4) = s_r(4, 4, 4) + e_5_4_4*(1)*s_r_t2_9 ! cost: 5 flops
120232 s_r(4, 4, 4) = s_r(4, 4, 4) + e_6_4_4*(1)*s_r_t2_10 ! cost: 5 flops
120233 s_r(4, 4, 4) = s_r(4, 4, 4) + e_7_4_4*(1)*s_r_t2_11 ! cost: 5 flops
120234 s_r(4, 4, 4) = s_r(4, 4, 4) + e_8_4_4*(1)*s_r_t2_12 ! cost: 5 flops
120235 r1 = r1 + dr
120236 END DO
120237
120238 s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
120239 END SUBROUTINE
120240
120241! **************************************************************************************************
120242!> \brief As pgf_sum_3c_1d but 3d sum required for non-orthorhombic cells
120243!> \param S_G ...
120244!> \param la_max ...
120245!> \param lb_max ...
120246!> \param lc_max ...
120247!> \param RA ...
120248!> \param RB ...
120249!> \param RC ...
120250!> \param zeta ...
120251!> \param zetb ...
120252!> \param zetc ...
120253!> \param a_mm ...
120254!> \param hmat ...
120255!> \param h_inv ...
120256!> \param vol ...
120257!> \param G_bounds_1 ...
120258!> \param R_bounds_2 ...
120259!> \param R_bounds_3 ...
120260!> \param G_rads_1 ...
120261!> \param R_rads_2 ...
120262!> \param R_rads_3 ...
120263!> \param method ...
120264!> \param method_out ...
120265!> \param order ...
120266! **************************************************************************************************
120267 SUBROUTINE pgf_sum_3c_3d(S_G, la_max, lb_max, lc_max, RA, RB, RC, &
120268 zeta, zetb, zetc, a_mm, hmat, h_inv, vol, &
120269 G_bounds_1, R_bounds_2, R_bounds_3, &
120270 G_rads_1, R_rads_2, R_rads_3, &
120271 method, method_out, order)
120272 REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120273 INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
120274 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: ra, rb, rc
120275 REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
120276 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120277 REAL(kind=dp), INTENT(IN) :: vol
120278 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: g_bounds_1, r_bounds_2
120279 REAL(kind=dp), DIMENSION(2, 3), INTENT(IN) :: r_bounds_3
120280 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_rads_1, r_rads_2
120281 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_rads_3
120282 INTEGER, INTENT(IN) :: method
120283 INTEGER, INTENT(OUT), OPTIONAL :: method_out
120284 INTEGER, INTENT(IN), OPTIONAL :: order
120285
120286 INTEGER :: l_max, m_max, n_max, sum_method, &
120287 sum_order
120288 LOGICAL :: assert_stm
120289 REAL(kind=dp) :: alpha, beta, g_rad, gamma, r_rad
120290 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: s_g_tmp
120291 REAL(kind=dp), DIMENSION(3) :: g_bound, r1, r2, r_bound
120292 REAL(kind=dp), DIMENSION(3, 3) :: ht
120293
120294 IF (PRESENT(order)) THEN
120295 sum_order = order
120296 ELSE
120297 sum_order = 0
120298 END IF
120299
120300 sum_method = method
120301
120302 alpha = 0.25_dp/zeta
120303 beta = 0.25_dp/zetb
120304 gamma = 0.25_dp/zetc + a_mm
120305
120306 l_max = la_max
120307 m_max = lb_max
120308 n_max = lc_max
120309
120310 r1 = rb - ra
120311 r2 = rc - rb
120312
120313 ht = twopi*transpose(h_inv)
120314
120315 SELECT CASE (sum_method)
120316 CASE (1) ! sum_G sum_G' C(G) C(G,G') C(G')
120317
120318 IF (sum_order .EQ. 0) THEN
120319 sum_order = maxloc(g_bounds_1(:, 1), dim=1)
120320 assert_stm = minloc(g_bounds_1(:, 1), dim=1) == &
120321 minloc(g_bounds_1(:, 2), dim=1) .AND. &
120322 minloc(g_bounds_1(:, 1), dim=1) == &
120323 minloc(g_bounds_1(:, 3), dim=1)
120324 cpassert(assert_stm)
120325 END IF
120326
120327 CALL pgf_sum_3c_gspace_3d(s_g, l_max, m_max, n_max, r1, r2, alpha, beta, gamma, ht, vol, g_bounds_1, g_rads_1, sum_order)
120328
120329 CASE (2) ! sum_G sum_R C(G) C(R)
120330 IF (sum_order .EQ. 0) THEN
120331 sum_order = minloc(g_bounds_1(:, 1), dim=1)
120332 assert_stm = minloc(g_bounds_1(:, 1), dim=1) == &
120333 minloc(g_bounds_1(:, 2), dim=1) .AND. &
120334 minloc(g_bounds_1(:, 1), dim=1) == &
120335 minloc(g_bounds_1(:, 3), dim=1)
120336 cpassert(assert_stm)
120337 END IF
120338 r_rad = r_rads_2(sum_order)
120339 g_rad = g_rads_1(sum_order)
120340 r_bound = r_bounds_2(sum_order, :)
120341 g_bound = g_bounds_1(sum_order, :)
120342 SELECT CASE (sum_order)
120343 CASE (1)
120344 ALLOCATE (s_g_tmp(ncoset(l_max), ncoset(m_max), ncoset(n_max)))
120345 CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, l_max, m_max, n_max, r1, r2, alpha, beta, gamma, hmat, h_inv, vol, &
120346 r_bound, g_bound, r_rad, g_rad)
120347 s_g = reshape(s_g_tmp, shape(s_g), order=[1, 2, 3])
120348 CASE (2)
120349 ALLOCATE (s_g_tmp(ncoset(m_max), ncoset(l_max), ncoset(n_max)))
120350 CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, m_max, l_max, n_max, -r1, r1 + r2, beta, alpha, gamma, hmat, h_inv, vol, &
120351 r_bound, g_bound, r_rad, g_rad)
120352 s_g = reshape(s_g_tmp, shape(s_g), order=[2, 1, 3])
120353 CASE (3)
120354 ALLOCATE (s_g_tmp(ncoset(n_max), ncoset(m_max), ncoset(l_max)))
120355 CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, n_max, m_max, l_max, -r2, -r1, gamma, beta, alpha, hmat, h_inv, vol, &
120356 r_bound, g_bound, r_rad, g_rad)
120357 s_g = reshape(s_g_tmp, shape(s_g), order=[3, 2, 1])
120358 END SELECT
120359 CASE (3) ! sum_R sum_R' H(R, R')
120360 CALL pgf_sum_3c_rspace_3d(s_g, l_max, m_max, n_max, ra, rb, rc, zeta, zetb, zetc, a_mm, hmat, h_inv, &
120361 r_bounds_3, r_rads_3)
120362 s_g = s_g*pi**(-1.5_dp)*((zeta + zetb)/(zeta*zetb))**(-1.5_dp)
120363 END SELECT
120364
120365 IF (PRESENT(method_out)) method_out = sum_method
120366
120367 END SUBROUTINE pgf_sum_3c_3d
120368
120369! **************************************************************************************************
120370!> \brief Roughly estimated number of floating point operations
120371!> \param ns_G1 ...
120372!> \param ns_G2 ...
120373!> \param l ...
120374!> \param m ...
120375!> \param n ...
120376!> \return ...
120377! **************************************************************************************************
120378 PURE FUNCTION nsum_3c_gspace_3d(ns_G1, ns_G2, l, m, n)
120379 REAL(kind=dp), INTENT(IN) :: ns_g1, ns_g2
120380 INTEGER, INTENT(IN) :: l, m, n
120381 INTEGER(KIND=int_8) :: nsum_3c_gspace_3d
120382
120383 nsum_3c_gspace_3d = nint(ns_g1*ns_g2*(5*exp_w + ncoset(l)*ncoset(m)*ncoset(n)*4), kind=int_8)
120384
120385 END FUNCTION
120386
120387! **************************************************************************************************
120388!> \brief ...
120389!> \param S_G ...
120390!> \param l_max ...
120391!> \param m_max ...
120392!> \param n_max ...
120393!> \param R1 ...
120394!> \param R2 ...
120395!> \param alpha ...
120396!> \param beta ...
120397!> \param gamma ...
120398!> \param ht ...
120399!> \param vol ...
120400!> \param G_c ...
120401!> \param G_rad ...
120402!> \param sum_order ...
120403!> \param coulomb ...
120404! **************************************************************************************************
120405 PURE SUBROUTINE pgf_sum_3c_gspace_3d(S_G, l_max, m_max, n_max, R1, R2, alpha, beta, gamma, &
120406 ht, vol, G_c, G_rad, sum_order, coulomb)
120407 REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120408 INTEGER, INTENT(IN) :: l_max, m_max, n_max
120409 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120410 REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120411 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: ht
120412 REAL(kind=dp), INTENT(IN) :: vol
120413 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: g_c
120414 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_rad
120415 INTEGER, INTENT(IN) :: sum_order
120416 LOGICAL, INTENT(IN), OPTIONAL :: coulomb
120417
120418 INTEGER, DIMENSION(3) :: g1c, g2c, g3c
120419 INTEGER :: g1x, g1y, g1z, g2x, g2y, g2z, g3x, g3y, &
120420 g3z
120421 COMPLEX(KIND=dp), DIMENSION(ncoset(l_max), ncoset( & m_max), ncoset(n_max)) :: s_g_c
120422 LOGICAL :: use_coulomb
120423 REAL(kind=dp) :: g1_sq, g2_sq, g3_sq
120424 REAL(kind=dp), DIMENSION(3) :: g1, g1_x, g1_y, g1_z, g2, g2_x, g2_y, &
120425 g2_z, g3, g3_x, g3_y, g3_z, g_rads_sq
120426
120427 s_g_c(:, :, :) = 0.0_dp
120428
120429 g1c = floor(g_c(1, :))
120430 g2c = floor(g_c(2, :))
120431 g3c = floor(g_c(3, :))
120432
120433 ! we can not precompute exponentials for general cell
120434 ! Perform double G sum
120435 g_rads_sq = g_rad**2
120436
120437 IF (PRESENT(coulomb)) THEN
120438 use_coulomb = coulomb
120439 ELSE
120440 use_coulomb = .false.
120441 END IF
120442
120443 SELECT CASE (sum_order)
120444 CASE (1)
120445 DO g2x = -g2c(1), g2c(1)
120446 g2_x = ht(:, 1)*g2x
120447 DO g2y = -g2c(2), g2c(2)
120448 g2_y = ht(:, 2)*g2y
120449 DO g2z = -g2c(3), g2c(3)
120450 g2_z = ht(:, 3)*g2z
120451 g2 = g2_x + g2_y + g2_z
120452 g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120453 IF (g2_sq .GT. g_rads_sq(2)) cycle
120454 DO g3x = -g3c(1), g3c(1)
120455 g3_x = ht(:, 1)*g3x
120456 DO g3y = -g3c(2), g3c(2)
120457 g3_y = ht(:, 2)*g3y
120458 DO g3z = -g3c(3), g3c(3)
120459 g3_z = ht(:, 3)*g3z
120460 g3 = g3_x + g3_y + g3_z
120461 g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120462 IF (g3_sq .GT. g_rads_sq(3)) cycle
120463 g1 = g3 - g2
120464 g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120465 IF (g1_sq .GT. g_rads_sq(1)) cycle
120466 IF (use_coulomb) THEN
120467 IF (g3x == 0 .AND. g3y == 0 .AND. g3z == 0) cycle
120468 END IF
120469 CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120470 alpha, beta, gamma, r1, r2, use_coulomb)
120471 END DO
120472 END DO
120473 END DO
120474 END DO
120475 END DO
120476 END DO
120477 CASE (2)
120478 DO g1x = -g1c(1), g1c(1)
120479 g1_x = ht(:, 1)*g1x
120480 DO g1y = -g1c(2), g1c(2)
120481 g1_y = ht(:, 2)*g1y
120482 DO g1z = -g1c(3), g1c(3)
120483 g1_z = ht(:, 3)*g1z
120484 g1 = g1_x + g1_y + g1_z
120485 g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120486 IF (g1_sq .GT. g_rads_sq(1)) cycle
120487 DO g3x = -g3c(1), g3c(1)
120488 g3_x = ht(:, 1)*g3x
120489 DO g3y = -g3c(2), g3c(2)
120490 g3_y = ht(:, 2)*g3y
120491 DO g3z = -g3c(3), g3c(3)
120492 g3_z = ht(:, 3)*g3z
120493 g3 = g3_x + g3_y + g3_z
120494 g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120495 IF (g3_sq .GT. g_rads_sq(3)) cycle
120496 g2 = g3 - g1
120497 g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120498 IF (g2_sq .GT. g_rads_sq(2)) cycle
120499 IF (use_coulomb) THEN
120500 IF (g3x == 0 .AND. g3y == 0 .AND. g3z == 0) cycle
120501 END IF
120502 CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120503 alpha, beta, gamma, r1, r2, use_coulomb)
120504 END DO
120505 END DO
120506 END DO
120507 END DO
120508 END DO
120509 END DO
120510 CASE (3)
120511 DO g1x = -g1c(1), g1c(1)
120512 g1_x = ht(:, 1)*g1x
120513 DO g1y = -g1c(2), g1c(2)
120514 g1_y = ht(:, 2)*g1y
120515 DO g1z = -g1c(3), g1c(3)
120516 g1_z = ht(:, 3)*g1z
120517 g1 = g1_x + g1_y + g1_z
120518 g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120519 IF (g1_sq .GT. g_rads_sq(1)) cycle
120520 DO g2x = -g2c(1), g2c(1)
120521 g2_x = ht(:, 1)*g2x
120522 DO g2y = -g2c(2), g2c(2)
120523 g2_y = ht(:, 2)*g2y
120524 DO g2z = -g2c(3), g2c(3)
120525 g2_z = ht(:, 3)*g2z
120526 g2 = g2_x + g2_y + g2_z
120527 g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120528 IF (g2_sq .GT. g_rads_sq(2)) cycle
120529 g3 = g1 + g2
120530 g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120531 IF (g3_sq .GT. g_rads_sq(3)) cycle
120532 IF (use_coulomb) THEN
120533 IF (g1x + g2x == 0 .AND. g1y + g2y == 0 .AND. g1z + g2z == 0) cycle
120534 END IF
120535 CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120536 alpha, beta, gamma, r1, r2, use_coulomb)
120537 END DO
120538 END DO
120539 END DO
120540 END DO
120541 END DO
120542 END DO
120543 END SELECT
120544 s_g = real(s_g_c, kind=dp)/vol**2
120545
120546 END SUBROUTINE
120547
120548! **************************************************************************************************
120549!> \brief ...
120550!> \param S_G ...
120551!> \param G1 ...
120552!> \param G1_sq ...
120553!> \param G2 ...
120554!> \param G2_sq ...
120555!> \param G3 ...
120556!> \param G3_sq ...
120557!> \param l_max ...
120558!> \param m_max ...
120559!> \param n_max ...
120560!> \param alpha ...
120561!> \param beta ...
120562!> \param gamma ...
120563!> \param R1 ...
120564!> \param R2 ...
120565!> \param coulomb ...
120566! **************************************************************************************************
120567 PURE SUBROUTINE pgf_product_3c_gspace_3d(S_G, G1, G1_sq, G2, G2_sq, G3, G3_sq, l_max, m_max, n_max, &
120568 alpha, beta, gamma, R1, R2, coulomb)
120569
120570 COMPLEX(KIND=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120571 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g1
120572 REAL(kind=dp), INTENT(IN) :: g1_sq
120573 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g2
120574 REAL(kind=dp), INTENT(IN) :: g2_sq
120575 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g3
120576 REAL(kind=dp), INTENT(IN) :: g3_sq
120577 INTEGER, INTENT(IN) :: l_max, m_max, n_max
120578 REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120579 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120580 LOGICAL, INTENT(IN) :: coulomb
120581
120582 COMPLEX(KIND=dp) :: exp_tot
120583 INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120584 mz, n, nco, nx, ny, nz
120585 COMPLEX(KIND=dp), DIMENSION(ncoset(n_max)) :: s_g_n
120586 COMPLEX(KIND=dp), DIMENSION(ncoset(m_max)) :: s_g_m
120587 COMPLEX(KIND=dp), DIMENSION(ncoset(l_max)) :: s_g_l
120588 REAL(kind=dp), DIMENSION(3, 0:l_max) :: g1_pow_l
120589 REAL(kind=dp), DIMENSION(3, 0:m_max) :: g2_pow_m
120590 REAL(kind=dp), DIMENSION(3, 0:n_max) :: g3_pow_n
120591
120592 exp_tot = exp(gaussi*dot_product(g1, r1))*exp(-alpha*g1_sq)* & ! cost: 5 exp_w flops
120593 exp(-beta*g2_sq)* &
120594 exp(-gamma*g3_sq)*exp(gaussi*dot_product(g3, r2))
120595
120596 IF (coulomb) exp_tot = exp_tot/g3_sq
120597
120598 DO k = 1, 3
120599 g1_pow_l(k, 0) = 1.0_dp
120600 DO l = 1, l_max
120601 g1_pow_l(k, l) = g1_pow_l(k, l - 1)*g1(k)
120602 END DO
120603 g2_pow_m(k, 0) = 1.0_dp
120604 DO m = 1, m_max
120605 g2_pow_m(k, m) = g2_pow_m(k, m - 1)*g2(k)
120606 END DO
120607 g3_pow_n(k, 0) = 1.0_dp
120608 DO n = 1, n_max
120609 g3_pow_n(k, n) = g3_pow_n(k, n - 1)*g3(k)
120610 END DO
120611 END DO
120612
120613 DO lco = 1, ncoset(l_max)
120614 CALL get_l(lco, l, lx, ly, lz)
120615 s_g_l(lco) = g1_pow_l(1, lx)*g1_pow_l(2, ly)*g1_pow_l(3, lz)*(-1.0_dp)**l*i_pow(l)
120616 END DO
120617
120618 DO mco = 1, ncoset(m_max)
120619 CALL get_l(mco, m, mx, my, mz)
120620 s_g_m(mco) = g2_pow_m(1, mx)*g2_pow_m(2, my)*g2_pow_m(3, mz)*(-1.0_dp)**m*i_pow(m)
120621 END DO
120622
120623 DO nco = 1, ncoset(n_max)
120624 CALL get_l(nco, n, nx, ny, nz)
120625 s_g_n(nco) = g3_pow_n(1, nx)*g3_pow_n(2, ny)*g3_pow_n(3, nz)*i_pow(n)
120626 END DO
120627
120628 DO nco = 1, ncoset(n_max)
120629 DO mco = 1, ncoset(m_max)
120630 DO lco = 1, ncoset(l_max)
120631 s_g(lco, mco, nco) = s_g(lco, mco, nco) + & ! cost: 4 flops
120632 s_g_l(lco)*s_g_m(mco)*s_g_n(nco)* &
120633 exp_tot
120634 END DO
120635 END DO
120636 END DO
120637
120638 END SUBROUTINE pgf_product_3c_gspace_3d
120639
120640! **************************************************************************************************
120641!> \brief Roughly estimated number of floating point operations
120642!> \param ns_G ...
120643!> \param ns_R ...
120644!> \param l ...
120645!> \param m ...
120646!> \param n ...
120647!> \return ...
120648! **************************************************************************************************
120649 PURE FUNCTION nsum_product_3c_gspace_3d(ns_G, ns_R, l, m, n)
120650 REAL(kind=dp), INTENT(IN) :: ns_g, ns_r
120651 INTEGER, INTENT(IN) :: l, m, n
120652 INTEGER(KIND=int_8) :: nsum_product_3c_gspace_3d
120653
120654 nsum_product_3c_gspace_3d = &
120655 nint( &
120656 ns_g*( &
120657 (exp_w*2) + &
120658 ns_r*(exp_w*2 + ncoset(l + m)*7) + &
120659 3*nsum_gaussian_overlap(l, m, 1) + &
120660 ncoset(l)*ncoset(m)*(ncoset(l + m)*4 + ncoset(n)*8)), &
120661 kind=int_8)
120662 END FUNCTION
120663
120664! **************************************************************************************************
120665!> \brief ...
120666!> \param S_G ...
120667!> \param l_max ...
120668!> \param m_max ...
120669!> \param n_max ...
120670!> \param R1 ...
120671!> \param R2 ...
120672!> \param alpha ...
120673!> \param beta ...
120674!> \param gamma ...
120675!> \param hmat ...
120676!> \param h_inv ...
120677!> \param vol ...
120678!> \param R_c ...
120679!> \param G_c ...
120680!> \param R_rad ...
120681!> \param G_rad ...
120682! **************************************************************************************************
120683 PURE SUBROUTINE pgf_sum_product_3c_gspace_3d(S_G, l_max, m_max, n_max, R1, R2, alpha, beta, gamma, &
120684 hmat, h_inv, vol, R_c, G_c, R_rad, G_rad)
120685 REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120686 INTEGER, INTENT(IN) :: l_max, m_max, n_max
120687 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120688 REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120689 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120690 REAL(kind=dp), INTENT(IN) :: vol
120691 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c, g_c
120692 REAL(kind=dp), INTENT(IN) :: r_rad, g_rad
120693
120694 COMPLEX(KIND=dp) :: exp_tot
120695 INTEGER :: gx, gy, gz, k, l, lco, lnco, lx, ly, lz, &
120696 m, mco, n, nco
120697 COMPLEX(KIND=dp), &
120698 DIMENSION(ncoset(m_max), ncoset(n_max)) :: s_r
120699 COMPLEX(KIND=dp), DIMENSION(ncoset(l_max), ncoset( & m_max), ncoset(n_max)) :: s_g_c
120700 REAL(kind=dp) :: g_rad_sq, g_sq, r_rad_sq
120701 REAL(kind=dp), DIMENSION(3) :: g, g_x, g_y, g_z
120702 REAL(kind=dp), DIMENSION(3, 0:l_max) :: g_pow_l
120703 REAL(kind=dp), DIMENSION(3, 3) :: ht
120704 REAL(kind=dp), DIMENSION(ncoset(l_max)) :: s_g_c_l
120705
120706 s_g_c(:, :, :) = 0.0_dp
120707
120708 g_rad_sq = g_rad**2
120709 r_rad_sq = r_rad**2
120710
120711 lnco = ncoset(l_max)
120712
120713 ht = twopi*transpose(h_inv)
120714 DO gx = -floor(g_c(1)), floor(g_c(1))
120715 g_x = ht(:, 1)*gx
120716 DO gy = -floor(g_c(2)), floor(g_c(2))
120717 g_y = ht(:, 2)*gy
120718 DO gz = -floor(g_c(3)), floor(g_c(3))
120719 g_z = ht(:, 3)*gz
120720 g = g_x + g_y + g_z
120721 g_sq = g(1)**2 + g(2)**2 + g(3)**2
120722 IF (g_sq .GT. g_rad_sq) cycle
120723
120724 exp_tot = exp(-alpha*g_sq)*exp(gaussi*dot_product(g, r1)) ! cost: exp_w*2 flops
120725
120726 DO k = 1, 3
120727 g_pow_l(k, 0) = 1.0_dp
120728 DO l = 1, l_max
120729 g_pow_l(k, l) = g_pow_l(k, l - 1)*g(k)
120730 END DO
120731 END DO
120732
120733 CALL pgf_sum_product_3c_rspace_3d(s_r, m_max, n_max, g, r2, beta, gamma, hmat, h_inv, vol, r_c, r_rad_sq)
120734
120735 DO lco = 1, ncoset(l_max)
120736 CALL get_l(lco, l, lx, ly, lz)
120737 s_g_c_l(lco) = g_pow_l(1, lx)*g_pow_l(2, ly)*g_pow_l(3, lz)*(-1.0_dp)**l
120738 END DO
120739
120740 DO nco = 1, ncoset(n_max)
120741 CALL get_l(nco, n)
120742 DO mco = 1, ncoset(m_max)
120743 CALL get_l(mco, m)
120744 DO lco = 1, ncoset(l_max)
120745 CALL get_l(lco, l)
120746 s_g_c(lco, mco, nco) = & ! cost: 8 flops
120747 s_g_c(lco, mco, nco) + &
120748 s_g_c_l(lco)* &
120749 exp_tot*i_pow(l + m + n)*(-1.0_dp)**m*s_r(mco, nco)
120750 END DO
120751 END DO
120752 END DO
120753 END DO
120754 END DO
120755 END DO
120756 s_g = real(s_g_c, kind=dp)/vol**2
120757
120758 END SUBROUTINE pgf_sum_product_3c_gspace_3d
120759
120760! **************************************************************************************************
120761!> \brief ...
120762!> \param S_R ...
120763!> \param l_max ...
120764!> \param m_max ...
120765!> \param G ...
120766!> \param R ...
120767!> \param alpha ...
120768!> \param beta ...
120769!> \param hmat ...
120770!> \param h_inv ...
120771!> \param vol ...
120772!> \param R_c ...
120773!> \param R_rad_sq ...
120774! **************************************************************************************************
120775 PURE SUBROUTINE pgf_sum_product_3c_rspace_3d(S_R, l_max, m_max, G, R, alpha, beta, hmat, h_inv, vol, R_c, R_rad_sq)
120776 COMPLEX(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: s_r
120777 INTEGER, INTENT(IN) :: l_max, m_max
120778 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g, r
120779 REAL(kind=dp), INTENT(IN) :: alpha, beta
120780 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120781 REAL(kind=dp), INTENT(IN) :: vol
120782 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c
120783 REAL(kind=dp), INTENT(IN) :: r_rad_sq
120784
120785 COMPLEX(KIND=dp) :: exp_tot
120786 INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120787 mz, sx, sy, sz, t, tco, tx, ty, tz
120788 COMPLEX(KIND=dp), DIMENSION(ncoset(l_max + m_max)) :: s_r_t
120789 REAL(kind=dp) :: c1, c2, rp_sq
120790 REAL(kind=dp), &
120791 DIMENSION(-1:l_max + m_max + 1, -1:l_max, -1:m_max) :: e1, e2, e3
120792 REAL(kind=dp), DIMENSION(3) :: r_l, r_r, rp, rx, ry, rz, s_shift
120793 REAL(kind=dp), DIMENSION(3, 0:l_max + m_max) :: r_pow_t
120794
120795 c1 = 0.25_dp/(alpha + beta)
120796 c2 = alpha/(alpha + beta)
120797
120798 s_r_t(:) = 0.0_dp
120799 s_r(:, :) = 0.0_dp
120800
120801 s_shift = matmul(h_inv, r)
120802 r_l = -r_c + s_shift
120803 r_r = r_c + s_shift
120804
120805 DO sx = ceiling(r_l(1)), floor(r_r(1))
120806 rx = hmat(:, 1)*sx
120807 DO sy = ceiling(r_l(2)), floor(r_r(2))
120808 ry = hmat(:, 2)*sy
120809 DO sz = ceiling(r_l(3)), floor(r_r(3))
120810 rz = hmat(:, 3)*sz
120811 rp = rx + ry + rz - r
120812 rp_sq = rp(1)**2 + rp(2)**2 + rp(3)**2
120813 IF (rp_sq .GT. r_rad_sq) cycle
120814
120815 exp_tot = exp(-c1*rp_sq)*exp(-gaussi*c2*dot_product(rp, g)) ! cost: exp_w*2 flops
120816 DO k = 1, 3
120817 r_pow_t(k, 0) = 1.0_dp
120818 DO t = 1, l_max + m_max
120819 r_pow_t(k, t) = r_pow_t(k, t - 1)*rp(k)
120820 END DO
120821 END DO
120822
120823 DO tco = 1, ncoset(l_max + m_max)
120824 CALL get_l(tco, t, tx, ty, tz)
120825 s_r_t(tco) = s_r_t(tco) + & ! cost: 7 flops
120826 r_pow_t(1, tx)*r_pow_t(2, ty)*r_pow_t(3, tz)* &
120827 (-1.0_dp)**t*i_pow(t)*exp_tot
120828 END DO
120829
120830 END DO
120831 END DO
120832 END DO
120833
120834 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(1), 0.0_dp, 1, e1)
120835 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(2), 0.0_dp, 1, e2)
120836 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(3), 0.0_dp, 1, e3)
120837
120838 DO mco = 1, ncoset(m_max)
120839 CALL get_l(mco, m, mx, my, mz)
120840 DO lco = 1, ncoset(l_max)
120841 CALL get_l(lco, l, lx, ly, lz)
120842 DO tx = 0, lx + mx
120843 DO ty = 0, ly + my
120844 DO tz = 0, lz + mz
120845 tco = coset(tx, ty, tz)
120846 s_r(lco, mco) = s_r(lco, mco) + & ! cost: 4 flops
120847 e1(tx, lx, mx)*e2(ty, ly, my)*e3(tz, lz, mz)*s_r_t(tco)
120848
120849 END DO
120850 END DO
120851 END DO
120852 END DO
120853 END DO
120854
120855 s_r(:, :) = s_r(:, :)*vol/(twopi)**3*(pi/(alpha + beta))**1.5_dp
120856
120857 END SUBROUTINE pgf_sum_product_3c_rspace_3d
120858
120859! **************************************************************************************************
120860!> \brief Roughly estimated number of floating point operations
120861!> \param ns_R1 ...
120862!> \param ns_R2 ...
120863!> \param l ...
120864!> \param m ...
120865!> \param n ...
120866!> \return ...
120867! **************************************************************************************************
120868 PURE FUNCTION nsum_3c_rspace_3d(ns_R1, ns_R2, l, m, n)
120869 REAL(kind=dp), INTENT(IN) :: ns_r1, ns_r2
120870 INTEGER, INTENT(IN) :: l, m, n
120871 INTEGER(KIND=int_8) :: nsum_3c_rspace_3d
120872
120873 nsum_3c_rspace_3d = &
120874 nint( &
120875 ns_r1*( &
120876 ns_r2*(exp_w + ncoset(l + m + n)*4) + &
120877 3*nsum_gaussian_overlap(l, m, 2) + &
120878 ncoset(m)*ncoset(l)*( &
120879 ncoset(l + m)*2 + ncoset(n)*ncoset(l + m)*4)), &
120880 kind=int_8)
120881
120882 END FUNCTION
120883
120884! **************************************************************************************************
120885!> \brief ...
120886!> \param S_R ...
120887!> \param l_max ...
120888!> \param m_max ...
120889!> \param n_max ...
120890!> \param RA ...
120891!> \param RB ...
120892!> \param RC ...
120893!> \param zeta ...
120894!> \param zetb ...
120895!> \param zetc ...
120896!> \param a_mm ...
120897!> \param hmat ...
120898!> \param h_inv ...
120899!> \param R_c ...
120900!> \param R_rad ...
120901! **************************************************************************************************
120902 SUBROUTINE pgf_sum_3c_rspace_3d(S_R, l_max, m_max, n_max, RA, RB, RC, zeta, zetb, zetc, a_mm, &
120903 hmat, h_inv, R_c, R_rad)
120904 REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_r
120905 INTEGER, INTENT(IN) :: l_max, m_max, n_max
120906 REAL(kind=dp), DIMENSION(3), INTENT(IN) :: ra, rb, rc
120907 REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
120908 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120909 REAL(kind=dp), DIMENSION(2, 3), INTENT(IN) :: r_c
120910 REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_rad
120911
120912 INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120913 mz, n, nco, nx, ny, nz, s1x, s1y, s1z, &
120914 s2x, s2y, s2z, t, tco, tnco, ttco, &
120915 ttx, tty, ttz, tx, ty, tz
120916 REAL(kind=dp) :: alpha, exp_tot, r1_sq, r_sq
120917 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
120918 REAL(kind=dp), &
120919 DIMENSION(-1:l_max + m_max + 1, -1:l_max, -1:m_max) :: e1, e2, e3
120920 REAL(kind=dp), DIMENSION(2) :: r_rad_sq
120921 REAL(kind=dp), DIMENSION(3) :: r, r1, r1_l, r1_r, r1_tmp, r1x, r1y, &
120922 r1z, r2_l, r2_r, r2x, r2y, r2z, &
120923 r_offset, r_tmp, s1_shift, s2_shift
120924 REAL(kind=dp), DIMENSION(3, 0:l_max + m_max + n_max) :: r_pow_t
120925 REAL(kind=dp), DIMENSION(ncoset(l_max + m_max), & ncoset(l_max), ncoset(m_max)) :: eco
120926 REAL(kind=dp), &
120927 DIMENSION(ncoset(l_max + m_max + n_max)) :: s_r_t
120928 REAL(kind=dp), DIMENSION(ncoset(l_max + m_max + n_max) & , ncoset(l_max + m_max + n_max)) :: h_to_c_tco
120929
120930 alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
120931
120932 eco(:, :, :) = 0.0_dp
120933 s_r(:, :, :) = 0.0_dp
120934 h_to_c_tco(:, :) = 0.0_dp
120935
120936 r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
120937
120938 CALL create_hermite_to_cartesian(alpha, l_max + m_max + n_max, h_to_c)
120939
120940 DO tco = 1, ncoset(l_max + m_max + n_max)
120941 CALL get_l(tco, t, tx, ty, tz)
120942 DO ttx = 0, tx
120943 DO tty = 0, ty
120944 DO ttz = 0, tz
120945 ttco = coset(ttx, tty, ttz)
120946 h_to_c_tco(ttco, tco) = h_to_c(ttx, tx)*h_to_c(tty, ty)*h_to_c(ttz, tz)
120947 END DO
120948 END DO
120949 END DO
120950 END DO
120951
120952 s1_shift = matmul(h_inv, ra - rb)
120953 r1_l = -r_c(1, :) + s1_shift
120954 r1_r = r_c(1, :) + s1_shift
120955
120956 r_rad_sq = r_rad**2
120957
120958 DO s1x = ceiling(r1_l(1)), floor(r1_r(1))
120959 r1x = hmat(:, 1)*s1x
120960 DO s1y = ceiling(r1_l(2)), floor(r1_r(2))
120961 r1y = hmat(:, 2)*s1y
120962 DO s1z = ceiling(r1_l(3)), floor(r1_r(3))
120963 r1z = hmat(:, 3)*s1z
120964 r1 = r1x + r1y + r1z
120965 s_r_t(:) = 0.0_dp
120966 r1_tmp = r1 - (ra - rb)
120967 r1_sq = r1_tmp(1)**2 + r1_tmp(2)**2 + r1_tmp(3)**2
120968
120969 IF (r1_sq .GT. r_rad_sq(1)) cycle
120970
120971 r_tmp = r_offset + r1*zeta/(zeta + zetb)
120972 s2_shift = -matmul(h_inv, r_tmp)
120973 r2_l = -r_c(2, :) + s2_shift
120974 r2_r = r_c(2, :) + s2_shift
120975 DO s2x = ceiling(r2_l(1)), floor(r2_r(1))
120976 r2x = hmat(:, 1)*s2x
120977 DO s2y = ceiling(r2_l(2)), floor(r2_r(2))
120978 r2y = hmat(:, 2)*s2y
120979 DO s2z = ceiling(r2_l(3)), floor(r2_r(3))
120980 r2z = hmat(:, 3)*s2z
120981 r = r_tmp + r2x + r2y + r2z
120982 r_sq = r(1)**2 + r(2)**2 + r(3)**2
120983
120984 IF (r_sq .GT. r_rad_sq(2)) cycle
120985
120986 exp_tot = exp(-alpha*r_sq) ! cost: exp_w flops
120987 DO k = 1, 3
120988 r_pow_t(k, 0) = 1.0_dp
120989 DO t = 1, l_max + m_max + n_max
120990 r_pow_t(k, t) = r_pow_t(k, t - 1)*r(k)
120991 END DO
120992 END DO
120993 DO tco = 1, ncoset(l_max + m_max + n_max)
120994 CALL get_l(tco, t, tx, ty, tz)
120995 s_r_t(tco) = s_r_t(tco) + r_pow_t(1, tx)*r_pow_t(2, ty)*r_pow_t(3, tz)*exp_tot ! cost: 4 flops
120996 END DO
120997 END DO
120998 END DO
120999 END DO
121000
121001 s_r_t(:) = matmul(transpose(h_to_c_tco), s_r_t)*(alpha/pi)**1.5_dp
121002
121003 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(1) - r1(1), rb(1), 2, e1)
121004 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(2) - r1(2), rb(2), 2, e2)
121005 CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(3) - r1(3), rb(3), 2, e3)
121006
121007 DO mco = 1, ncoset(m_max)
121008 CALL get_l(mco, m, mx, my, mz)
121009 DO lco = 1, ncoset(l_max)
121010 CALL get_l(lco, l, lx, ly, lz)
121011 DO tx = 0, lx + mx
121012 DO ty = 0, ly + my
121013 DO tz = 0, lz + mz
121014 tco = coset(tx, ty, tz)
121015 eco(tco, lco, mco) = e1(tx, lx, mx)*e2(ty, ly, my)*e3(tz, lz, mz) ! cost: 2 flops
121016 END DO
121017 END DO
121018 END DO
121019 END DO
121020 END DO
121021
121022 DO nco = 1, ncoset(n_max)
121023 CALL get_l(nco, n, nx, ny, nz)
121024 DO tco = 1, ncoset(l_max + m_max)
121025 CALL get_l(tco, t, tx, ty, tz)
121026 tnco = coset(tx + nx, ty + ny, tz + nz)
121027 s_r(:, :, nco) = s_r(:, :, nco) + & ! cost: 4 flops
121028 eco(tco, :, :)* &
121029 (-1)**n*s_r_t(tnco)
121030
121031 END DO
121032 END DO
121033 END DO
121034 END DO
121035 END DO
121036 END SUBROUTINE pgf_sum_3c_rspace_3d
121037
121038! **************************************************************************************************
121039!> \brief Compute bounding box for ellipsoid. This is needed in order to find summation bounds for
121040!> sphere for sums over non-orthogonal lattice vectors.
121041!> \param s_rad sphere radius
121042!> \param s_to_e sphere to ellipsoid trafo
121043!> \return ...
121044! **************************************************************************************************
121045 PURE FUNCTION ellipsoid_bounds(s_rad, s_to_e)
121046 REAL(kind=dp), INTENT(IN) :: s_rad
121047 REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: s_to_e
121048 REAL(kind=dp), DIMENSION(3) :: ellipsoid_bounds
121049
121050 INTEGER :: i_xyz
121051
121052 DO i_xyz = 1, 3
121053 ellipsoid_bounds(i_xyz) = sqrt(s_to_e(i_xyz, 1)**2 + s_to_e(i_xyz, 2)**2 + s_to_e(i_xyz, 3)**2)*s_rad
121054 END DO
121055
121056 END FUNCTION ellipsoid_bounds
121057
121058! **************************************************************************************************
121059!> \brief Roughly estimated number of floating point operations
121060!> \param l ...
121061!> \param m ...
121062!> \param H_or_C_product ...
121063!> \return ...
121064! **************************************************************************************************
121065 PURE FUNCTION nsum_gaussian_overlap(l, m, H_or_C_product)
121066 INTEGER, INTENT(IN) :: l, m, h_or_c_product
121067 INTEGER :: nsum_gaussian_overlap
121068
121069 INTEGER :: loop
121070
121071 nsum_gaussian_overlap = exp_w
121072 loop = (m + 1)*(l + 1)*(m + l + 2)
121073 IF (h_or_c_product .EQ. 1) THEN
121074 nsum_gaussian_overlap = nsum_gaussian_overlap + loop*16
121075 ELSE
121076 nsum_gaussian_overlap = nsum_gaussian_overlap + loop*32
121077 END IF
121078 END FUNCTION
121079
121080! **************************************************************************************************
121081!> \brief ...
121082!> \param lco ...
121083!> \param l ...
121084!> \param lx ...
121085!> \param ly ...
121086!> \param lz ...
121087! **************************************************************************************************
121088 PURE ELEMENTAL SUBROUTINE get_l(lco, l, lx, ly, lz)
121089 INTEGER, INTENT(IN) :: lco
121090 INTEGER, INTENT(OUT) :: l
121091 INTEGER, INTENT(OUT), OPTIONAL :: lx, ly, lz
121092
121093 l = sum(indco(:, lco))
121094 IF (PRESENT(lx)) lx = indco(1, lco)
121095 IF (PRESENT(ly)) ly = indco(2, lco)
121096 IF (PRESENT(lz)) lz = indco(3, lco)
121097 END SUBROUTINE
121098
121099! **************************************************************************************************
121100!> \brief ...
121101!> \param i ...
121102!> \return ...
121103! **************************************************************************************************
121104 PURE ELEMENTAL FUNCTION i_pow(i)
121105 INTEGER, INTENT(IN) :: i
121106 COMPLEX(KIND=dp) :: i_pow
121107
121108 COMPLEX(KIND=dp), DIMENSION(0:3), PARAMETER :: &
121109 ip = (/(1.0_dp, 0.0_dp), (0.0_dp, 1.0_dp), (-1.0_dp, 0.0_dp), (0.0_dp, -1.0_dp)/)
121110
121111 i_pow = ip(mod(i, 4))
121112
121113 END FUNCTION
121114
121115END MODULE eri_mme_lattice_summation
121116
ao_util
All kind of helpful little routines.
Definition ao_util.F:14
ao_util::exp_radius
real(kind=dp) function, public exp_radius(l, alpha, threshold, prefactor, epsabs, epsrel, rlow)
The radius of a primitive Gaussian function for a given threshold is calculated. g(r) = prefactor*r**...
Definition ao_util.F:96
eri_mme_gaussian
Methods related to properties of Hermite and Cartesian Gaussian functions.
Definition eri_mme_gaussian.F:15
eri_mme_gaussian::create_hermite_to_cartesian
pure subroutine, public create_hermite_to_cartesian(zet, l_max, h_to_c)
Create matrix to transform between cartesian and hermite gaussian basis functions.
Definition eri_mme_gaussian.F:51
eri_mme_gaussian::eri_mme_longrange
integer, parameter, public eri_mme_longrange
Definition eri_mme_gaussian.F:29
eri_mme_gaussian::eri_mme_coulomb
integer, parameter, public eri_mme_coulomb
Definition eri_mme_gaussian.F:29
eri_mme_gaussian::create_gaussian_overlap_dist_to_hermite
pure subroutine, public create_gaussian_overlap_dist_to_hermite(l, m, a, b, r1, r2, h_or_c_product, e)
Expand 1d product of cartesian (or hermite) gaussians into single hermite gaussians: Find E_t^{lm} s....
Definition eri_mme_gaussian.F:194
eri_mme_gaussian::eri_mme_yukawa
integer, parameter, public eri_mme_yukawa
Definition eri_mme_gaussian.F:29
eri_mme_lattice_summation
Ewald sums to represent integrals in direct and reciprocal lattice.
Definition eri_mme_lattice_summation.F:15
eri_mme_lattice_summation::pgf_sum_2c_gspace_1d
pure subroutine, public pgf_sum_2c_gspace_1d(s_g, r, alpha, inv_lgth, g_c)
Compute Ewald-like sum for 2-center ERIs in G space in 1 dimension S_G(l, alpha) = (-i)^l*inv_lgth*su...
Definition eri_mme_lattice_summation.F:359
eri_mme_lattice_summation::pgf_sum_2c_gspace_1d_deltal
pure subroutine, public pgf_sum_2c_gspace_1d_deltal(s_g, alpha, inv_lgth, g_min, g_c, delta_l, prefactor)
Compute 1d sum S_G(l, alpha) = inv_lgth*sum_G( C(l, alpha, delta_l, G) ) with C(l,...
Definition eri_mme_lattice_summation.F:656
eri_mme_lattice_summation::eri_mme_2c_get_bounds
subroutine, public eri_mme_2c_get_bounds(hmat, h_inv, vol, is_ortho, g_min, r_min, la_max, lb_max, zeta, zetb, a_mm, sum_precision, n_sum_1d, n_sum_3d, g_bounds, g_rad, r_bounds, r_rad)
Get summation bounds for 2c integrals.
Definition eri_mme_lattice_summation.F:177
eri_mme_lattice_summation::get_l
pure elemental subroutine, public get_l(lco, l, lx, ly, lz)
...
Definition eri_mme_lattice_summation.F:121093
eri_mme_lattice_summation::pgf_sum_3c_3d
subroutine, public pgf_sum_3c_3d(s_g, la_max, lb_max, lc_max, ra, rb, rc, zeta, zetb, zetc, a_mm, hmat, h_inv, vol, g_bounds_1, r_bounds_2, r_bounds_3, g_rads_1, r_rads_2, r_rads_3, method, method_out, order)
As pgf_sum_3c_1d but 3d sum required for non-orthorhombic cells.
Definition eri_mme_lattice_summation.F:120272
eri_mme_lattice_summation::pgf_sum_2c_rspace_3d
pure subroutine, public pgf_sum_2c_rspace_3d(s_r, l_max, r, alpha, hmat, h_inv, r_c, r_rad)
As pgf_sum_2c_rspace_1d but 3d sum required for non-orthorhombic cells.
Definition eri_mme_lattice_summation.F:570
eri_mme_lattice_summation::pgf_sum_2c_gspace_3d
pure subroutine, public pgf_sum_2c_gspace_3d(s_g, l_max, r, alpha, h_inv, g_c, g_rad, vol, potential, pot_par)
As pgf_sum_2c_gspace_1d but 3d sum required for non-orthorhombic cells.
Definition eri_mme_lattice_summation.F:414
eri_mme_lattice_summation::eri_mme_3c_get_rads
subroutine, public eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, g_min, r_min, sum_precision, g_rads_1, r_rads_2, r_rads_3)
Get summation radii for 3c integrals.
Definition eri_mme_lattice_summation.F:111
eri_mme_lattice_summation::pgf_sum_3c_1d
subroutine, public pgf_sum_3c_1d(s_g, ra, rb, rc, zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
Compute Ewald-like sum for 3-center integrals in 1 dimension S_G(l, m, n, alpha, beta,...
Definition eri_mme_lattice_summation.F:736
eri_mme_lattice_summation::eri_mme_2c_get_rads
subroutine, public eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, g_min, r_min, sum_precision, g_rad, r_rad)
Get summation radii for 2c integrals.
Definition eri_mme_lattice_summation.F:73
eri_mme_lattice_summation::ellipsoid_bounds
pure real(kind=dp) function, dimension(3), public ellipsoid_bounds(s_rad, s_to_e)
Compute bounding box for ellipsoid. This is needed in order to find summation bounds for sphere for s...
Definition eri_mme_lattice_summation.F:121050
eri_mme_lattice_summation::eri_mme_3c_get_bounds
subroutine, public eri_mme_3c_get_bounds(hmat, h_inv, vol, is_ortho, g_min, r_min, la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, sum_precision, n_sum_1d, n_sum_3d, g_bounds_1, g_rads_1, r_bounds_2, r_rads_2, r_bounds_3, r_rads_3)
Get summation bounds for 3c integrals.
Definition eri_mme_lattice_summation.F:244
eri_mme_lattice_summation::pgf_sum_2c_rspace_1d
pure subroutine, public pgf_sum_2c_rspace_1d(s_r, r, alpha, lgth, r_c)
Compute Ewald-like sum for 2-center ERIs in R space in 1 dimension S_R(l, alpha) = SQRT(alpha/pi) sum...
Definition eri_mme_lattice_summation.F:514
gamma
Calculation of the incomplete Gamma function F_n(t) for multi-center integrals over Cartesian Gaussia...
Definition gamma.F:15
kinds
Defines the basic variable types.
Definition kinds.F:23
kinds::int_8
integer, parameter, public int_8
Definition kinds.F:54
kinds::dp
integer, parameter, public dp
Definition kinds.F:34
mathconstants
Definition of mathematical constants and functions.
Definition mathconstants.F:16
mathconstants::pi
real(kind=dp), parameter, public pi
Definition mathconstants.F:110
mathconstants::gaussi
complex(kind=dp), parameter, public gaussi
Definition mathconstants.F:142
mathconstants::twopi
real(kind=dp), parameter, public twopi
Definition mathconstants.F:112
orbital_pointers
Provides Cartesian and spherical orbital pointers and indices.
Definition orbital_pointers.F:15
orbital_pointers::nco
integer, dimension(:), allocatable, public nco
Definition orbital_pointers.F:42
orbital_pointers::ncoset
integer, dimension(:), allocatable, public ncoset
Definition orbital_pointers.F:42
orbital_pointers::coset
integer, dimension(:, :, :), allocatable, public coset
Definition orbital_pointers.F:45
orbital_pointers::indco
integer, dimension(:, :), allocatable, public indco
Definition orbital_pointers.F:43