Octopus
xc_kernel.F90
Go to the documentation of this file.
1!! Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
2!!
3!! This program is free software; you can redistribute it and/or modify
4!! it under the terms of the GNU General Public License as published by
5!! the Free Software Foundation; either version 2, or (at your option)
6!! any later version.
7!!
8!! This program is distributed in the hope that it will be useful,
9!! but WITHOUT ANY WARRANTY; without even the implied warranty of
10!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
11!! GNU General Public License for more details.
12!!
13!! You should have received a copy of the GNU General Public License
14!! along with this program; if not, write to the Free Software
15!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
16!! 02110-1301, USA.
17!!
18
19#include "global.h"
20
21module xc_kernel_oct_m
22 use debug_oct_m
25 use global_oct_m
26 use grid_oct_m
27 use iso_c_binding
28 use, intrinsic :: iso_fortran_env
30 use math_oct_m
31 use mesh_oct_m
35 use xc_f03_lib_m
38 use xc_oct_m, only: xc_t, family_is_gga
39
40 implicit none
41
42 private
43 public :: xc_get_fxc, xc_get_kxc
44
45contains
46
47#include "xc_fxc_inc.F90"
48#include "xc_kxc_inc.F90"
49
50end module xc_kernel_oct_m
This module calculates the derivatives (gradients, Laplacians, etc.) of a function.
This module implements the underlying real-space grid.
Definition: grid.F90:119
This module is intended to contain "only mathematical" functions and procedures.
Definition: math.F90:117
This module defines the meshes, which are used in Octopus.
Definition: mesh.F90:120
subroutine, public xc_get_fxc(xcs, gr, namespace, rho, ispin, fxc, fxc_grad, fxc_grad_spin)
Returns the exchange-correlation kernel.
Definition: xc_kernel.F90:172
subroutine, public xc_get_kxc(xcs, mesh, namespace, rho, ispin, kxc)
Definition: xc_kernel.F90:514
Definition: xc.F90:116
pure logical function, public family_is_gga(family, only_collinear)
Is the xc function part of the GGA family.
Definition: xc.F90:553