qs_fgxc_atom.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

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

Functions/Subroutines
subroutine, public	qs_fgxc_atom::fgxc_atom_calc (qs_env, rho0_atom_set, rho1_atom_set, rho2_atom_set, kind_set, xc_section, is_triplet, accuracy)
	...
subroutine, public	qs_fgxc_atom::fgxc_atom_diff (qs_env, rho0_atom_set, rho1_atom_set, rho2_atom_set, kind_set, xc_section, is_triplet, accuracy, epsrho)
	...