ai_os_rr::os_rr_ovlp3 Interface Reference

Public Member Functions
subroutine	os_rr_ovlp3_real (rap, la_max, rbp, lb_max, rcp, lc_max, zet, rr)
	Normalized separable three-center Gaussian overlap tables. The C recurrence uses the directly supplied G-C displacement.
subroutine	os_rr_ovlp3_complex (rap, la_max, rbp, lb_max, rcp, lc_max, zet, rr)
	Normalized separable three-center Gaussian overlap tables. The C recurrence uses the directly supplied G-C displacement.

Detailed Description

Definition at line 27 of file ai_os_rr.F.

Member Function/Subroutine Documentation

os_rr_ovlp3_real()

subroutine ai_os_rr::os_rr_ovlp3::os_rr_ovlp3_real	(	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)	zet,
		real (dp), dimension(0:, 0:, 0:, :), intent(inout)	rr )

Normalized separable three-center Gaussian overlap tables. The C recurrence uses the directly supplied G-C displacement.

Parameters

rap	product-center displacement G-A
la_max	highest A degree
rbp	product-center displacement G-B
lb_max	highest B degree
rcp	product-center displacement G-C
lc_max	highest C degree
zet	sum of all three Gaussian exponents
rr	normalized tables indexed by A/B/C degrees and Cartesian axis

Definition at line 129 of file ai_os_rr.F.

os_rr_ovlp3_complex()

subroutine ai_os_rr::os_rr_ovlp3::os_rr_ovlp3_complex	(	complex (dp), dimension(3), intent(in)	rap,
		integer, intent(in)	la_max,
		complex (dp), dimension(3), intent(in)	rbp,
		integer, intent(in)	lb_max,
		complex (dp), dimension(3), intent(in)	rcp,
		integer, intent(in)	lc_max,
		real(dp), intent(in)	zet,
		complex (dp), dimension(0:, 0:, 0:, :), intent(inout)	rr )

Normalized separable three-center Gaussian overlap tables. The C recurrence uses the directly supplied G-C displacement.

Parameters

rap	product-center displacement G-A
la_max	highest A degree
rbp	product-center displacement G-B
lb_max	highest B degree
rcp	product-center displacement G-C
lc_max	highest C degree
zet	sum of all three Gaussian exponents
rr	normalized tables indexed by A/B/C degrees and Cartesian axis

Definition at line 245 of file ai_os_rr.F.

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The documentation for this interface was generated from the following file:

• aobasis/ai_os_rr.F