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Atomic-orbital Based Ab-initio Computation at UStc
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Functions | Variables
DIAGOTEST Namespace Reference

Functions

void readh (std::ifstream &inf, std::vector< double > &hm)
 
void readh (std::ifstream &inf, std::vector< std::complex< double > > &hm)
 
void readh (std::ifstream &inf, std::vector< std::complex< float > > &hm)
 
template<class T >
void divide_psi (T *psi, T *psi_local)
 
template void divide_psi< double > (double *psi, double *psi_local)
 
template void divide_psi< std::complex< double > > (std::complex< double > *psi, std::complex< double > *psi_local)
 
template void divide_psi< std::complex< float > > (std::complex< float > *psi, std::complex< float > *psi_local)
 
void cal_division (int &npw)
 
template<typename T >
void divide_hpsi (psi::Psi< T > &psi, psi::Psi< T > &psi_local, std::vector< T > &hmatrix, std::vector< T > &hmatrix_local)
 

Variables

std::vector< double > hmatrix_d
 
std::vector< double > hmatrix_local_d
 
std::vector< std::complex< double > > hmatrix
 
std::vector< std::complex< double > > hmatrix_local
 
std::vector< std::complex< float > > hmatrix_f
 
std::vector< std::complex< float > > hmatrix_local_f
 
int h_nr
 
int h_nc
 
int npw
 
int * npw_local
 

Function Documentation

◆ cal_division()

void DIAGOTEST::cal_division ( int &  npw)
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◆ divide_hpsi()

template<typename T >
void DIAGOTEST::divide_hpsi ( psi::Psi< T > &  psi,
psi::Psi< T > &  psi_local,
std::vector< T > &  hmatrix,
std::vector< T > &  hmatrix_local 
)
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◆ divide_psi()

template<class T >
void DIAGOTEST::divide_psi ( T psi,
T psi_local 
)

◆ divide_psi< double >()

template void DIAGOTEST::divide_psi< double > ( double *  psi,
double *  psi_local 
)
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◆ divide_psi< std::complex< double > >()

template void DIAGOTEST::divide_psi< std::complex< double > > ( std::complex< double > *  psi,
std::complex< double > *  psi_local 
)

◆ divide_psi< std::complex< float > >()

template void DIAGOTEST::divide_psi< std::complex< float > > ( std::complex< float > *  psi,
std::complex< float > *  psi_local 
)

◆ readh() [1/3]

void DIAGOTEST::readh ( std::ifstream &  inf,
std::vector< double > &  hm 
)
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◆ readh() [2/3]

void DIAGOTEST::readh ( std::ifstream &  inf,
std::vector< std::complex< double > > &  hm 
)
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◆ readh() [3/3]

void DIAGOTEST::readh ( std::ifstream &  inf,
std::vector< std::complex< float > > &  hm 
)
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Variable Documentation

◆ h_nc

int DIAGOTEST::h_nc

◆ h_nr

int DIAGOTEST::h_nr

◆ hmatrix

std::vector<std::complex<double> > DIAGOTEST::hmatrix

◆ hmatrix_d

std::vector<double> DIAGOTEST::hmatrix_d

◆ hmatrix_f

std::vector<std::complex<float> > DIAGOTEST::hmatrix_f

◆ hmatrix_local

std::vector<std::complex<double> > DIAGOTEST::hmatrix_local

◆ hmatrix_local_d

std::vector<double> DIAGOTEST::hmatrix_local_d

◆ hmatrix_local_f

std::vector<std::complex<float> > DIAGOTEST::hmatrix_local_f

◆ npw

int DIAGOTEST::npw

◆ npw_local

int* DIAGOTEST::npw_local