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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 | |||
| ) |