Functions/Subroutines
subroutine, public	os_rr_coulomb3 (rap, la_max, rbp, lb_max, rcp, lc_max, zetp, zetq, zetw, rr)
	Angular three-center Coulomb recurrence from caller-supplied s/s/s seeds.
subroutine, public	os_rr_coul (rap, la_max, rbp, lb_max, rcp, zet, ldrr1, ldrr2, rr)
	Calculation of the Obara-Saika recurrence relation for 1/r_C.

Function/Subroutine Documentation

◆ os_rr_coulomb3()

subroutine, public ai_os_rr::os_rr_coulomb3	(	real(dp), dimension(3), intent(in)	rap,
		integer, intent(in)	la_max,
		real(dp), dimension(3), intent(in)	rbp,
		integer, intent(in)	lb_max,
		real(dp), dimension(3), intent(in)	rcp,
		integer, intent(in)	lc_max,
		real(dp), intent(in)	zetp,
		real(dp), intent(in)	zetq,
		real(dp), intent(in)	zetw,
		real(dp), dimension(:, :, :, 0:), intent(inout)	rr )

Angular three-center Coulomb recurrence from caller-supplied s/s/s seeds.

Parameters

rap	displacement P-A
la_max	highest A shell
rbp	displacement P-B
lb_max	highest B shell
rcp	displacement P-C
lc_max	highest C shell
zetp	reciprocal exponent sum on A/B
zetq	reciprocal exponent on C
zetw	reciprocal exponent sum on A/B/C
rr	caller-initialized seeds and angular table, with radial order last

Definition at line 442 of file ai_os_rr.F.

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subroutine, public ai_os_rr::os_rr_coul	(	real(dp), dimension(3), intent(in)	rap,
		integer, intent(in)	la_max,
		real(dp), dimension(3), intent(in)	rbp,
		integer, intent(in)	lb_max,
		real(dp), dimension(3), intent(in)	rcp,
		real(dp), intent(in)	zet,
		integer, intent(in)	ldrr1,
		integer, intent(in)	ldrr2,
		real(dp), dimension(0:ldrr1 - 1, ldrr2, *), intent(inout)	rr )

Calculation of the Obara-Saika recurrence relation for 1/r_C.

Parameters

Definition at line 518 of file ai_os_rr.F.

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