qs_vxc_atom.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_vxc_atom
	routines that build the integrals of the Vxc potential calculated for the atomic density in the basis set of spherical primitives

Functions/Subroutines
subroutine, public	qs_vxc_atom::calculate_vxc_atom (qs_env, energy_only, exc1, adiabatic_rescale_factor, kind_set_external, rho_atom_set_external, xc_section_external, calculate_forces, composite_vxc_rho, composite_vxc_tau, composite_reference_active, direct_valence_atom_grid, atom_composite_grid)
	...
subroutine, public	qs_vxc_atom::gapw_cdft_one_center (qs_env, energy_only, calculate_forces, values, electronic_charge, operator_group, rho_atom_operator_set)
	Add the GAPW one-center correction to CDFT values and operators.
subroutine, public	qs_vxc_atom::calculate_vxc_atom_epr (qs_env, exc1, gradient_atom_set)
	...