Automatic generation of auxiliary basis sets of different kind. More...

Functions/Subroutines
subroutine, public	create_ri_aux_basis_set (ri_aux_basis_set, qs_kind, basis_cntrl, basis_type, basis_sort)
	Create a RI_AUX basis set using some heuristics. More...

subroutine, public	create_lri_aux_basis_set (lri_aux_basis_set, qs_kind, basis_cntrl, exact_1c_terms, tda_kernel)
	Create a LRI_AUX basis set using some heuristics. More...

subroutine, public	create_oce_basis (oce_basis, orb_basis, lmax_oce, nbas_oce)
	... More...

Detailed Description

Automatic generation of auxiliary basis sets of different kind.

Modification history:

Function/Subroutine Documentation

subroutine, public auto_basis::create_ri_aux_basis_set	(	type(gto_basis_set_type), pointer	ri_aux_basis_set,
		type(qs_kind_type), intent(in)	qs_kind,
		integer, intent(in)	basis_cntrl,
		character(len=*), intent(in), optional	basis_type,
		integer, intent(in), optional	basis_sort
	)

Create a RI_AUX basis set using some heuristics.

Parameters

Definition at line 56 of file auto_basis.F.

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subroutine, public auto_basis::create_lri_aux_basis_set	(	type(gto_basis_set_type), pointer	lri_aux_basis_set,
		type(qs_kind_type), intent(in)	qs_kind,
		integer, intent(in)	basis_cntrl,
		logical, intent(in), optional	exact_1c_terms,
		logical, intent(in), optional	tda_kernel
	)

Create a LRI_AUX basis set using some heuristics.

Parameters

Definition at line 222 of file auto_basis.F.

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subroutine, public auto_basis::create_oce_basis	(	type(gto_basis_set_type), pointer	oce_basis,
		type(gto_basis_set_type), pointer	orb_basis,
		integer, intent(in)	lmax_oce,
		integer, intent(in)	nbas_oce
	)

...

Parameters

Definition at line 404 of file auto_basis.F.

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