qs_fxc.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_fxc
	Setup Routine for Fxc Potentials.

Functions/Subroutines
subroutine, public	qs_fxc::qs_fxc_create (qs_env, rho0_struct, rho1_struct, rho0_atom_set, xc_section, do_onecenter, fxc_rho, fxc_tau, rho1_atom_set, do_scale, is_triplet, spinflip, no_weights, uf_grid_results, pw_env_ext, kind_set_external, para_env_external, dispersion_env, compute_virial, virial_xc)
	...
subroutine, public	qs_fxc::qs_fxc_prep (qs_env, rho0_struct, xc_rho_set, xc_deriv_set, xc_section, pw_env_ext, is_triplet)
	...
subroutine, public	qs_fxc::qs_fxc_apply (qs_env, xc_deriv_set, xc_rho_set, rho1_struct, rho0_atom_set, xc_section, do_onecenter, fxc_rho, fxc_tau, rho1_atom_set, do_scale, is_triplet, spinflip, pw_env_ext, kind_set_external, para_env_external, compute_virial, virial_xc)
	...
subroutine, public	qs_fxc::qs_fxc_fdiff (qs_env, rho0_struct, rho1_struct, xc_section, accuracy, fxc_rho, fxc_tau, is_triplet, spinflip)
	...