routines that build the integrals of the Fxc kernel calculated for the atomic density in the basis set of spherical primitives More...

Functions/Subroutines
subroutine, public	fxc_atom_calc (qs_env, rho_atom_set, rho1_atom_set, xc_section, para_env_ext, do_scale, do_triplet, do_sf, kind_set_external)
	...

Detailed Description

routines that build the integrals of the Fxc kernel calculated for the atomic density in the basis set of spherical primitives

Function/Subroutine Documentation

subroutine, public qs_fxc_atom::fxc_atom_calc	(	type(qs_environment_type), pointer	qs_env,
		type(rho_atom_type), dimension(:), pointer	rho_atom_set,
		type(rho_atom_type), dimension(:), pointer	rho1_atom_set,
		type(section_vals_type), pointer	xc_section,
		type(mp_para_env_type), intent(in), optional	para_env_ext,
		logical, intent(in), optional	do_scale,
		logical, intent(in), optional	do_triplet,
		logical, intent(in), optional	do_sf,
		type(qs_kind_type), dimension(:), optional, pointer	kind_set_external )

...

Parameters

Definition at line 73 of file qs_fxc_atom.F.

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