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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 | |||
| ) |