MADNESS
0.10.1
|
#include <madness/world/MADworld.h>
#include <madness/mra/mra.h>
#include <madness/tensor/tensor.h>
#include <fstream>
#include "xcfunctional.h"
Classes | |
struct | xcfunc_data_point |
Functions | |
int | main (int argc, char **argv) |
std::vector< xcfunc_data_point > | read_test_data (const std::string &dfname, bool spin_polarized) |
void | test_xcfunctional (World &world) |
Variables | |
static std::string | df_repo_functionals [] |
int main | ( | int | argc, |
char ** | argv | ||
) |
std::vector<xcfunc_data_point> read_test_data | ( | const std::string & | dfname, |
bool | spin_polarized | ||
) |
References std::abs(), e(), madness::print(), xcfunc_data_point::rhoa, xcfunc_data_point::rhob, xcfunc_data_point::sigmaaa, xcfunc_data_point::sigmaab, xcfunc_data_point::sigmabb, xcfunc_data_point::v2rhoa2, xcfunc_data_point::v2rhoab, xcfunc_data_point::v2rhob2, xcfunc_data_point::vrhoa, xcfunc_data_point::vrhob, xcfunc_data_point::vsigmaaa, xcfunc_data_point::vsigmaab, xcfunc_data_point::vsigmabb, and xcfunc_data_point::zk.
Referenced by test_xcfunctional().
void test_xcfunctional | ( | World & | world | ) |
|
static |
Referenced by test_xcfunctional().