#include <madness/madness_config.h>
#include <madness/chem/xcfunctional.h>
#include <madness/tensor/tensor.h>
#include <iostream>
#include <string>
#include <sstream>
#include <stdexcept>
#include <utility>
#include <madness/world/madness_exception.h>
#include <madness/world/MADworld.h>
#include <xc.h>
#include <xc_funcs.h>

Include dependency graph for xcfunctional_libxc.cc:

Namespaces
namespace	madness
	Namespace for all elements and tools of MADNESS.

Functions
static double	madness::chi_of (const double sx, const double sy, const double sz, const double tx, const double ty, const double tz, const long i)
	contract two zeta vectors at grid point i: chi_st = zeta_s . zeta_t

static double	madness::chi_of (const double sx, const double sy, const double *sz, const long i)
	contract a zeta vector with itself: chi_ss = \|zeta_s\|^2 >= 0

static xc_func_type *	madness::lookup_func (const std::string &name, bool polarized)

static std::string	madness::lookup_id (const int id)

static int	madness::lookup_name (const std::string &name)

static xc_func_type *	madness::make_func (int id, bool polarized)

Namespaces

Functions