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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Macros | Functions
to_qo_test.cpp File Reference
#include <gtest/gtest.h>
#include "source_io/to_qo.h"
#include "source_io/module_parameter/parameter.h"
#include <mpi.h>
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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)
 

Macro Definition Documentation

◆ private

#define private   public

Function Documentation

◆ define_fcc_cell()

void define_fcc_cell ( UnitCell ucell)
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◆ define_sc_cell()

void define_sc_cell ( UnitCell ucell)
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◆ main()

int main ( int  argc,
char **  argv 
)

◆ TEST_F() [1/34]

TEST_F ( toQOTest  ,
AllocateOvlpMinimal   
)
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◆ TEST_F() [2/34]

TEST_F ( toQOTest  ,
AppendOvlpReiRk   
)
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◆ TEST_F() [3/34]

TEST_F ( toQOTest  ,
BcastStdvectorOfVector3Double   
)
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◆ TEST_F() [4/34]

TEST_F ( toQOTest  ,
BcastStdvectorOfVector3Int   
)
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◆ TEST_F() [5/34]

TEST_F ( toQOTest  ,
BuildHydrogenFull   
)
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◆ TEST_F() [6/34]

TEST_F ( toQOTest  ,
BuildHydrogenMinimal   
)
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◆ TEST_F() [7/34]

TEST_F ( toQOTest  ,
BuildNao   
)
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◆ TEST_F() [8/34]

TEST_F ( toQOTest  ,
BuildPswfcAll   
)
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◆ TEST_F() [9/34]

TEST_F ( toQOTest  ,
BuildPswfcPartial1   
)
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◆ TEST_F() [10/34]

TEST_F ( toQOTest  ,
BuildPswfcPartial2   
)
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◆ TEST_F() [11/34]

TEST_F ( toQOTest  ,
BuildPswfcPartial3   
)
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◆ TEST_F() [12/34]

TEST_F ( toQOTest  ,
CalculateHydrogenlike   
)
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◆ TEST_F() [13/34]

TEST_F ( toQOTest  ,
CalculateOvlpKGamma   
)
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◆ TEST_F() [14/34]

TEST_F ( toQOTest  ,
CalculateOvlpKSlaterGamma   
)
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◆ TEST_F() [15/34]

TEST_F ( toQOTest  ,
CalculateOvlpR   
)
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◆ TEST_F() [16/34]

TEST_F ( toQOTest  ,
CalculateSelfOvlpKPswfcSymmetrical   
)
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◆ TEST_F() [17/34]

TEST_F ( toQOTest  ,
CalculateSelfOvlpKSymmetrical   
)
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◆ TEST_F() [18/34]

TEST_F ( toQOTest  ,
CalculateSelfOvlpRFull   
)
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◆ TEST_F() [19/34]

TEST_F ( toQOTest  ,
CalculateSelfOvlpRMinimal   
)
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◆ TEST_F() [20/34]

TEST_F ( toQOTest  ,
CalculateSelfOvlpRPswfc   
)
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◆ TEST_F() [21/34]

TEST_F ( toQOTest  ,
Constructor   
)
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◆ TEST_F() [22/34]

TEST_F ( toQOTest  ,
EliminateDuplicateVector3   
)
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◆ TEST_F() [23/34]

TEST_F ( toQOTest  ,
Initialize   
)
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◆ TEST_F() [24/34]

TEST_F ( toQOTest  ,
Norm2RijSupercell   
)
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◆ TEST_F() [25/34]

TEST_F ( toQOTest  ,
OrbitalFilterOut   
)
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◆ TEST_F() [26/34]

TEST_F ( toQOTest  ,
RadialCollectionIndexing   
)
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◆ TEST_F() [27/34]

TEST_F ( toQOTest  ,
ReadOvlp   
)
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◆ TEST_F() [28/34]

TEST_F ( toQOTest  ,
ReadStructures   
)
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◆ TEST_F() [29/34]

TEST_F ( toQOTest  ,
ScanSupercellFCC   
)
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◆ TEST_F() [30/34]

TEST_F ( toQOTest  ,
ScanSupercellForAtom   
)
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◆ TEST_F() [31/34]

TEST_F ( toQOTest  ,
ScanSupercellSC1   
)
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◆ TEST_F() [32/34]

TEST_F ( toQOTest  ,
ScanSupercellSC2   
)
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◆ TEST_F() [33/34]

TEST_F ( toQOTest  ,
ScanSupercellSC3   
)
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TEST_F ( toQOTest  ,
ScanSupercellSC4   
)
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