ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <gtest/gtest.h>
#include "source_io/to_qo.h"
#include "source_io/module_parameter/parameter.h"
#include <mpi.h>
Classes | |
class | toQOTest |
Macros | |
#define | private public |
Functions | |
void | define_fcc_cell (UnitCell &ucell) |
void | define_sc_cell (UnitCell &ucell) |
TEST_F (toQOTest, Constructor) | |
TEST_F (toQOTest, ReadStructures) | |
TEST_F (toQOTest, BuildNao) | |
TEST_F (toQOTest, RadialCollectionIndexing) | |
TEST_F (toQOTest, BuildHydrogenMinimal) | |
TEST_F (toQOTest, Norm2RijSupercell) | |
TEST_F (toQOTest, ScanSupercellForAtom) | |
TEST_F (toQOTest, EliminateDuplicateVector3) | |
TEST_F (toQOTest, ScanSupercellFCC) | |
TEST_F (toQOTest, ScanSupercellSC1) | |
TEST_F (toQOTest, AllocateOvlpMinimal) | |
TEST_F (toQOTest, Initialize) | |
TEST_F (toQOTest, ReadOvlp) | |
TEST_F (toQOTest, CalculateOvlpR) | |
TEST_F (toQOTest, CalculateSelfOvlpRMinimal) | |
TEST_F (toQOTest, AppendOvlpReiRk) | |
TEST_F (toQOTest, CalculateSelfOvlpKSymmetrical) | |
TEST_F (toQOTest, BuildHydrogenFull) | |
TEST_F (toQOTest, CalculateSelfOvlpRFull) | |
TEST_F (toQOTest, OrbitalFilterOut) | |
TEST_F (toQOTest, BuildPswfcPartial1) | |
TEST_F (toQOTest, BuildPswfcPartial2) | |
TEST_F (toQOTest, BuildPswfcPartial3) | |
TEST_F (toQOTest, BuildPswfcAll) | |
TEST_F (toQOTest, ScanSupercellSC2) | |
TEST_F (toQOTest, ScanSupercellSC3) | |
TEST_F (toQOTest, ScanSupercellSC4) | |
TEST_F (toQOTest, CalculateSelfOvlpRPswfc) | |
TEST_F (toQOTest, CalculateOvlpKGamma) | |
TEST_F (toQOTest, CalculateOvlpKSlaterGamma) | |
TEST_F (toQOTest, CalculateSelfOvlpKPswfcSymmetrical) | |
TEST_F (toQOTest, CalculateHydrogenlike) | |
TEST_F (toQOTest, BcastStdvectorOfVector3Int) | |
TEST_F (toQOTest, BcastStdvectorOfVector3Double) | |
int | main (int argc, char **argv) |
#define private public |
void define_fcc_cell | ( | UnitCell & | ucell | ) |
void define_sc_cell | ( | UnitCell & | ucell | ) |
int main | ( | int | argc, |
char ** | argv | ||
) |
TEST_F | ( | toQOTest | , |
AllocateOvlpMinimal | |||
) |
TEST_F | ( | toQOTest | , |
AppendOvlpReiRk | |||
) |
TEST_F | ( | toQOTest | , |
BcastStdvectorOfVector3Double | |||
) |
TEST_F | ( | toQOTest | , |
BcastStdvectorOfVector3Int | |||
) |
TEST_F | ( | toQOTest | , |
BuildHydrogenFull | |||
) |
TEST_F | ( | toQOTest | , |
BuildHydrogenMinimal | |||
) |
TEST_F | ( | toQOTest | , |
BuildNao | |||
) |
TEST_F | ( | toQOTest | , |
BuildPswfcAll | |||
) |
TEST_F | ( | toQOTest | , |
BuildPswfcPartial1 | |||
) |
TEST_F | ( | toQOTest | , |
BuildPswfcPartial2 | |||
) |
TEST_F | ( | toQOTest | , |
BuildPswfcPartial3 | |||
) |
TEST_F | ( | toQOTest | , |
CalculateHydrogenlike | |||
) |
TEST_F | ( | toQOTest | , |
CalculateOvlpKGamma | |||
) |
TEST_F | ( | toQOTest | , |
CalculateOvlpKSlaterGamma | |||
) |
TEST_F | ( | toQOTest | , |
CalculateOvlpR | |||
) |
TEST_F | ( | toQOTest | , |
CalculateSelfOvlpKPswfcSymmetrical | |||
) |
TEST_F | ( | toQOTest | , |
CalculateSelfOvlpKSymmetrical | |||
) |
TEST_F | ( | toQOTest | , |
CalculateSelfOvlpRFull | |||
) |
TEST_F | ( | toQOTest | , |
CalculateSelfOvlpRMinimal | |||
) |
TEST_F | ( | toQOTest | , |
CalculateSelfOvlpRPswfc | |||
) |
TEST_F | ( | toQOTest | , |
Constructor | |||
) |
TEST_F | ( | toQOTest | , |
EliminateDuplicateVector3 | |||
) |
TEST_F | ( | toQOTest | , |
Initialize | |||
) |
TEST_F | ( | toQOTest | , |
Norm2RijSupercell | |||
) |
TEST_F | ( | toQOTest | , |
OrbitalFilterOut | |||
) |
TEST_F | ( | toQOTest | , |
RadialCollectionIndexing | |||
) |
TEST_F | ( | toQOTest | , |
ReadOvlp | |||
) |
TEST_F | ( | toQOTest | , |
ReadStructures | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellFCC | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellForAtom | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellSC1 | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellSC2 | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellSC3 | |||
) |
TEST_F | ( | toQOTest | , |
ScanSupercellSC4 | |||
) |