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Atomic-orbital Based Ab-initio Computation at UStc
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read_atoms_helper_test.cpp File Reference
#include "gtest/gtest.h"
#include "gmock/gmock.h"
#include "../read_atoms_helper.h"
#include "source_base/vector3.h"
#include "source_base/matrix3.h"
#include "source_io/module_output/output.h"
#include <sstream>
#include <fstream>
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Classes

class  ReadAtomsHelperTest
 

Namespaces

namespace  elecstate
 
namespace  unitcell
 

Functions

bool elecstate::read_orb_file (int it, std::string &orb_file, std::ofstream &ofs_running, Atom *atom)
 read number of numerical orbitals for each angular momentum
 
bool unitcell::read_atom_positions (UnitCell &ucell, std::ifstream &ifpos, std::ofstream &ofs_running, std::ofstream &ofs_warning)
 
 TEST_F (ReadAtomsHelperTest, ValidateCoordinateSystem_ValidInputs)
 
 TEST_F (ReadAtomsHelperTest, ValidateCoordinateSystem_InvalidInputs)
 
 TEST_F (ReadAtomsHelperTest, CalculateLatticeCenterXY)
 
 TEST_F (ReadAtomsHelperTest, CalculateLatticeCenterXZ)
 
 TEST_F (ReadAtomsHelperTest, CalculateLatticeCenterYZ)
 
 TEST_F (ReadAtomsHelperTest, CalculateLatticeCenterXYZ)
 
 TEST_F (ReadAtomsHelperTest, CalculateLatticeCenterNonCubic)
 
 TEST_F (ReadAtomsHelperTest, AllocateAtomProperties)
 
 TEST_F (ReadAtomsHelperTest, TransformAtomCoordinatesDirect)
 
 TEST_F (ReadAtomsHelperTest, TransformAtomCoordinatesCartesian)
 
 TEST_F (ReadAtomsHelperTest, ProcessMagnetizationNspin2)
 
 TEST_F (ReadAtomsHelperTest, ProcessMagnetizationNspin4VectorInput)
 
 TEST_F (ReadAtomsHelperTest, ProcessMagnetizationAngleInput)
 
 TEST_F (ReadAtomsHelperTest, ParseAtomPropertiesMovementFlags)
 
 TEST_F (ReadAtomsHelperTest, ParseAtomPropertiesVelocity)
 
 TEST_F (ReadAtomsHelperTest, ParseAtomPropertiesScalarMag)
 
 TEST_F (ReadAtomsHelperTest, ParseAtomPropertiesVectorMag)
 
int main (int argc, char **argv)
 

Function Documentation

◆ main()

int main ( int  argc,
char **  argv 
)

◆ TEST_F() [1/17]

TEST_F ( ReadAtomsHelperTest  ,
AllocateAtomProperties   
)
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◆ TEST_F() [2/17]

TEST_F ( ReadAtomsHelperTest  ,
CalculateLatticeCenterNonCubic   
)
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◆ TEST_F() [3/17]

TEST_F ( ReadAtomsHelperTest  ,
CalculateLatticeCenterXY   
)
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◆ TEST_F() [4/17]

TEST_F ( ReadAtomsHelperTest  ,
CalculateLatticeCenterXYZ   
)
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◆ TEST_F() [5/17]

TEST_F ( ReadAtomsHelperTest  ,
CalculateLatticeCenterXZ   
)
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◆ TEST_F() [6/17]

TEST_F ( ReadAtomsHelperTest  ,
CalculateLatticeCenterYZ   
)
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◆ TEST_F() [7/17]

TEST_F ( ReadAtomsHelperTest  ,
ParseAtomPropertiesMovementFlags   
)
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◆ TEST_F() [8/17]

TEST_F ( ReadAtomsHelperTest  ,
ParseAtomPropertiesScalarMag   
)
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◆ TEST_F() [9/17]

TEST_F ( ReadAtomsHelperTest  ,
ParseAtomPropertiesVectorMag   
)
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◆ TEST_F() [10/17]

TEST_F ( ReadAtomsHelperTest  ,
ParseAtomPropertiesVelocity   
)
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◆ TEST_F() [11/17]

TEST_F ( ReadAtomsHelperTest  ,
ProcessMagnetizationAngleInput   
)
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◆ TEST_F() [12/17]

TEST_F ( ReadAtomsHelperTest  ,
ProcessMagnetizationNspin2   
)
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◆ TEST_F() [13/17]

TEST_F ( ReadAtomsHelperTest  ,
ProcessMagnetizationNspin4VectorInput   
)
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◆ TEST_F() [14/17]

TEST_F ( ReadAtomsHelperTest  ,
TransformAtomCoordinatesCartesian   
)
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◆ TEST_F() [15/17]

TEST_F ( ReadAtomsHelperTest  ,
TransformAtomCoordinatesDirect   
)
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◆ TEST_F() [16/17]

TEST_F ( ReadAtomsHelperTest  ,
ValidateCoordinateSystem_InvalidInputs   
)
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◆ TEST_F() [17/17]

TEST_F ( ReadAtomsHelperTest  ,
ValidateCoordinateSystem_ValidInputs   
)
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