Functions/Subroutines
subroutine, public	sg_overlap (smat, l, pa, pb)
	... More...

subroutine, public	sg_kinetic (kmat, l, pa, pb)
	... More...

subroutine, public	sg_nuclear (umat, l, pa, pb)
	... More...

subroutine, public	sg_kinnuc (umat, l, pa, pb)
	... More...

subroutine, public	sg_erf (upmat, l, a, pa, pb)
	... More...

subroutine, public	sg_proj_ol (spmat, l, p, k, rc)
	... More...

subroutine, public	sg_gpot (vpmat, k, rc, l, pa, pb)
	... More...

subroutine, public	sg_conf (gmat, rc, k, l, pa, pb)
	... More...

subroutine, public	sg_coulomb (eri, nu, pa, lab, pc, lcd)
	... More...

subroutine, public	sg_exchange (eri, nu, pa, lac, pb, lbd)
	... More...

subroutine, public	sg_erfc (umat, l, a, pa, pb)
	... More...

subroutine, public	sto_overlap (smat, na, pa, nb, pb)
	... More...

subroutine, public	sto_kinetic (kmat, l, na, pa, nb, pb)
	... More...

subroutine, public	sto_nuclear (umat, na, pa, nb, pb)
	... More...

Function/Subroutine Documentation

◆ sg_overlap()

subroutine, public ai_onecenter::sg_overlap	(	real(kind=dp), dimension(:, :), intent(out)	smat,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

smat	...
l	...
pa	...
pb	...

Definition at line 64 of file ai_onecenter.F.

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◆ sg_kinetic()

subroutine, public ai_onecenter::sg_kinetic	(	real(kind=dp), dimension(:, :), intent(out)	kmat,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

kmat	...
l	...
pa	...
pb	...

Definition at line 101 of file ai_onecenter.F.

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◆ sg_nuclear()

subroutine, public ai_onecenter::sg_nuclear	(	real(kind=dp), dimension(:, :), intent(out)	umat,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

umat	...
l	...
pa	...
pb	...

Definition at line 136 of file ai_onecenter.F.

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◆ sg_kinnuc()

subroutine, public ai_onecenter::sg_kinnuc	(	real(kind=dp), dimension(:, :), intent(out)	umat,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

umat	...
l	...
pa	...
pb	...

Definition at line 171 of file ai_onecenter.F.

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◆ sg_erf()

subroutine, public ai_onecenter::sg_erf	(	real(kind=dp), dimension(:, :), intent(out)	upmat,
		integer, intent(in)	l,
		real(kind=dp), intent(in)	a,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

upmat	...
l	...
a	...
pa	...
pb	...

Definition at line 230 of file ai_onecenter.F.

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◆ sg_proj_ol()

subroutine, public ai_onecenter::sg_proj_ol	(	real(kind=dp), dimension(:), intent(out)	spmat,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	p,
		integer, intent(in)	k,
		real(kind=dp), intent(in)	rc
	)

...

Parameters

spmat	...
l	...
p	...
k	...
rc	...

Definition at line 336 of file ai_onecenter.F.

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◆ sg_gpot()

subroutine, public ai_onecenter::sg_gpot	(	real(kind=dp), dimension(:, :), intent(out)	vpmat,
		integer, intent(in)	k,
		real(kind=dp), intent(in)	rc,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

vpmat	...
k	...
rc	...
l	...
pa	...
pb	...

Definition at line 372 of file ai_onecenter.F.

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◆ sg_conf()

subroutine, public ai_onecenter::sg_conf	(	real(kind=dp), dimension(:, :), intent(out)	gmat,
		real(kind=dp), intent(in)	rc,
		integer, intent(in)	k,
		integer, intent(in)	l,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

gmat	...
rc	...
k	...
l	...
pa	...
pb	...

Definition at line 413 of file ai_onecenter.F.

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◆ sg_coulomb()

subroutine, public ai_onecenter::sg_coulomb	(	real(kind=dp), dimension(:, :), intent(out)	eri,
		integer, intent(in)	nu,
		real(kind=dp), dimension(:), intent(in)	pa,
		integer, intent(in)	lab,
		real(kind=dp), dimension(:), intent(in)	pc,
		integer, intent(in)	lcd
	)

...

Parameters

eri	...
nu	...
pa	...
lab	...
pc	...
lcd	...

Definition at line 451 of file ai_onecenter.F.

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◆ sg_exchange()

subroutine, public ai_onecenter::sg_exchange	(	real(kind=dp), dimension(:, :), intent(out)	eri,
		integer, intent(in)	nu,
		real(kind=dp), dimension(:), intent(in)	pa,
		integer, intent(in)	lac,
		real(kind=dp), dimension(:), intent(in)	pb,
		integer, intent(in)	lbd
	)

...

Parameters

eri	...
nu	...
pa	...
lac	...
pb	...
lbd	...

Definition at line 515 of file ai_onecenter.F.

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◆ sg_erfc()

subroutine, public ai_onecenter::sg_erfc	(	real(kind=dp), dimension(:, :), intent(out)	umat,
		integer, intent(in)	l,
		real(kind=dp), intent(in)	a,
		real(kind=dp), dimension(:), intent(in)	pa,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

umat	...
l	...
a	...
pa	...
pb	...

Definition at line 589 of file ai_onecenter.F.

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◆ sto_overlap()

subroutine, public ai_onecenter::sto_overlap	(	real(kind=dp), dimension(:, :), intent(out)	smat,
		integer, dimension(:), intent(in)	na,
		real(kind=dp), dimension(:), intent(in)	pa,
		integer, dimension(:), intent(in)	nb,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

smat	...
na	...
pa	...
nb	...
pb	...

Definition at line 667 of file ai_onecenter.F.

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◆ sto_kinetic()

subroutine, public ai_onecenter::sto_kinetic	(	real(kind=dp), dimension(:, :), intent(out)	kmat,
		integer, intent(in)	l,
		integer, dimension(:), intent(in)	na,
		real(kind=dp), dimension(:), intent(in)	pa,
		integer, dimension(:), intent(in)	nb,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

kmat	...
l	...
na	...
pa	...
nb	...
pb	...

Definition at line 710 of file ai_onecenter.F.

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◆ sto_nuclear()

subroutine, public ai_onecenter::sto_nuclear	(	real(kind=dp), dimension(:, :), intent(out)	umat,
		integer, dimension(:), intent(in)	na,
		real(kind=dp), dimension(:), intent(in)	pa,
		integer, dimension(:), intent(in)	nb,
		real(kind=dp), dimension(:), intent(in)	pb
	)

...

Parameters

umat	...
na	...
pa	...
nb	...
pb	...

Definition at line 756 of file ai_onecenter.F.

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Functions/Subroutines

Function/Subroutine Documentation

◆ sg_overlap()

◆ sg_kinetic()

◆ sg_nuclear()

◆ sg_kinnuc()

◆ sg_erf()

◆ sg_proj_ol()

◆ sg_gpot()

◆ sg_conf()

◆ sg_coulomb()

◆ sg_exchange()

◆ sg_erfc()

◆ sto_overlap()

◆ sto_kinetic()

◆ sto_nuclear()