qs_integral_utils Module Reference

Some utility functions for the calculation of integrals. More...

Data Types
interface	get_memory_usage

Functions/Subroutines
subroutine, public	basis_set_list_setup (basis_set_list, basis_type, qs_kind_set)
	Set up an easy accessible list of the basis sets for all kinds.

Detailed Description

Some utility functions for the calculation of integrals.

History

JGH: initial version

Author

JGH (10.07.2014)

Function/Subroutine Documentation

basis_set_list_setup()

subroutine, public qs_integral_utils::basis_set_list_setup	(	type(gto_basis_set_p_type), dimension(:)	basis_set_list,
		character(len=*), intent(in)	basis_type,
		type(qs_kind_type), dimension(:), pointer	qs_kind_set
	)

Set up an easy accessible list of the basis sets for all kinds.

Parameters

basis_set_list	The basis set list
basis_type	...
qs_kind_set	Kind information, the basis is used

Definition at line 148 of file qs_integral_utils.F.

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