ai_os_rr Module Reference

Functions/Subroutines
subroutine, public	os_rr_ovlp (rap, la_max, rbp, lb_max, zet, ldrr, rr)
	Calculation of the basic Obara-Saika recurrence relation. More...
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. More...

Function/Subroutine Documentation

os_rr_ovlp()

subroutine, public ai_os_rr::os_rr_ovlp	(	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), intent(in)	zet,
		integer, intent(in)	ldrr,
		real(dp), dimension(0:ldrr-1, 0:ldrr-1, 3)	rr
	)

Calculation of the basic Obara-Saika recurrence relation.

Parameters

rap	...
la_max	...
rbp	...
lb_max	...
zet	...
ldrr	...
rr	...

Date

02.03.2009

Author

VW

Version

1.0

Definition at line 38 of file ai_os_rr.F.

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os_rr_coul()

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

rap	...
la_max	...
rbp	...
lb_max	...
rcp	...
zet	...
ldrr1	...
ldrr2	...
rr	...

Date

02.03.2009

Author

VW

Version

1.0

Definition at line 117 of file ai_os_rr.F.

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