Utility method to build 3-center integrals for small cell GW. More...

Functions/Subroutines
subroutine, public	build_3c_integral_block (int_3c, qs_env, potential_parameter, basis_j, basis_k, basis_i, cell_j, cell_k, cell_i, atom_j, atom_k, atom_i, j_bf_start_from_atom, k_bf_start_from_atom, i_bf_start_from_atom)
	...

Detailed Description

Utility method to build 3-center integrals for small cell GW.

Function/Subroutine Documentation

subroutine, public gw_integrals::build_3c_integral_block	(	real(kind=dp), dimension(:, :, :)	int_3c,
		type(qs_environment_type), pointer	qs_env,
		type(libint_potential_type), intent(in)	potential_parameter,
		type(gto_basis_set_p_type), dimension(:)	basis_j,
		type(gto_basis_set_p_type), dimension(:)	basis_k,
		type(gto_basis_set_p_type), dimension(:)	basis_i,
		integer, dimension(3), intent(in), optional	cell_j,
		integer, dimension(3), intent(in), optional	cell_k,
		integer, dimension(3), intent(in), optional	cell_i,
		integer, intent(in), optional	atom_j,
		integer, intent(in), optional	atom_k,
		integer, intent(in), optional	atom_i,
		integer, dimension(:), optional	j_bf_start_from_atom,
		integer, dimension(:), optional	k_bf_start_from_atom,
		integer, dimension(:), optional	i_bf_start_from_atom
	)

...

Parameters

Definition at line 79 of file gw_integrals.F.

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