ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "source_io/module_parameter/parameter.h"
#include "gtest/gtest.h"
#include <cstring>
#include <vector>
#include "source_hsolver/diago_lapack.h"
Classes | |
class | HamiltTEST< T > |
class | DiagoLapackPrepare< T > |
class | DiagoLapackGammaOnlyTest |
class | DiagoLapackKPointsTest |
Macros | |
#define | private public |
#define | PASSTHRESHOLD 1e-5 |
#define | DETAILINFO false |
#define | PRINT_HS false |
#define | REPEATRUN 1 |
Functions | |
template<class T > | |
bool | read_hs (std::string fname, T &matrix) |
bool | read_solution (std::string fname, std::vector< double > &result) |
template<class T > | |
void | print_matrix (std::ofstream &fp, T *matrix, int &nrow, int &ncol, bool row_first) |
TEST_P (DiagoLapackGammaOnlyTest, LCAO) | |
INSTANTIATE_TEST_SUITE_P (DiagoLapackTest, DiagoLapackGammaOnlyTest, ::testing::Values(DiagoLapackPrepare< double >(0, 0, 1, 0, "H-GammaOnly-Si2.dat", "S-GammaOnly-Si2.dat", "GammaOnly-Si2-Solution.dat"), DiagoLapackPrepare< double >(0, 0, 32, 0, "H-GammaOnly-Si64.dat", "S-GammaOnly-Si64.dat", "GammaOnly-Si64-Solution.dat"))) | |
TEST_P (DiagoLapackKPointsTest, LCAO) | |
INSTANTIATE_TEST_SUITE_P (DiagoLapackTest, DiagoLapackKPointsTest, ::testing::Values(DiagoLapackPrepare< std::complex< double > >(0, 0, 1, 0, "H-KPoints-Si2.dat", "S-KPoints-Si2.dat", "KPoints-Si2-Solution.dat"), DiagoLapackPrepare< std::complex< double > >(0, 0, 32, 0, "H-KPoints-Si64.dat", "S-KPoints-Si64.dat", "KPoints-Si64-Solution.dat"))) | |
int | main (int argc, char **argv) |
#define DETAILINFO false |
#define PASSTHRESHOLD 1e-5 |
#define PRINT_HS false |
#define private public |
#define REPEATRUN 1 |
INSTANTIATE_TEST_SUITE_P | ( | DiagoLapackTest | , |
DiagoLapackGammaOnlyTest | , | ||
::testing::Values(DiagoLapackPrepare< double >(0, 0, 1, 0, "H-GammaOnly-Si2.dat", "S-GammaOnly-Si2.dat", "GammaOnly-Si2-Solution.dat"), DiagoLapackPrepare< double >(0, 0, 32, 0, "H-GammaOnly-Si64.dat", "S-GammaOnly-Si64.dat", "GammaOnly-Si64-Solution.dat")) | |||
) |
INSTANTIATE_TEST_SUITE_P | ( | DiagoLapackTest | , |
DiagoLapackKPointsTest | , | ||
::testing::Values(DiagoLapackPrepare< std::complex< double > >(0, 0, 1, 0, "H-KPoints-Si2.dat", "S-KPoints-Si2.dat", "KPoints-Si2-Solution.dat"), DiagoLapackPrepare< std::complex< double > >(0, 0, 32, 0, "H-KPoints-Si64.dat", "S-KPoints-Si64.dat", "KPoints-Si64-Solution.dat")) | |||
) |
int main | ( | int | argc, |
char ** | argv | ||
) |
|
inline |
bool read_solution | ( | std::string | fname, |
std::vector< double > & | result | ||
) |
TEST_P | ( | DiagoLapackGammaOnlyTest | , |
LCAO | |||
) |
TEST_P | ( | DiagoLapackKPointsTest | , |
LCAO | |||
) |