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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
elecstate::DensityMatrix_Tools Namespace Reference

Functions

template<typename TK , typename TR_in , typename TR_out >
void cal_DMR (const DensityMatrix< TK, TR_in > &dm, std::vector< hamilt::HContainer< TR_out > * > &dmR_out, const int ik_in)
 
template<typename TK , typename TR_in , typename TR_out >
void cal_DMR_td (const DensityMatrix< TK, TR_in > &dm, std::vector< hamilt::HContainer< TR_out > * > &dmR_out, const UnitCell &ucell, const ModuleBase::Vector3< double > At, const int ik_in)
 
template<typename TK , typename TR_in , typename TR_out >
void cal_DMR_full (const DensityMatrix< TK, TR_in > &dm, hamilt::HContainer< TR_out > *dmR_out, const int ik_in)
 
template<typename TR >
void func_exp_mul_dmk (const std::complex< double > kphase, const std::vector< std::complex< double > > &DMK_mat_trans, TR *target_DMR_mat)
 
template<typename TR >
void func_xyz_to_updown (const std::complex< double > tmp[4], const int icol, const int step_trace[4], TR *target_DMR_mat)
 

Function Documentation

◆ cal_DMR()

template<typename TK , typename TR_in , typename TR_out >
void elecstate::DensityMatrix_Tools::cal_DMR ( const DensityMatrix< TK, TR_in > &  dm,
std::vector< hamilt::HContainer< TR_out > * > &  dmR_out,
const int  ik_in 
)
extern
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◆ cal_DMR_full()

template<typename TK , typename TR_in , typename TR_out >
void elecstate::DensityMatrix_Tools::cal_DMR_full ( const DensityMatrix< TK, TR_in > &  dm,
hamilt::HContainer< TR_out > *  dmR_out,
const int  ik_in 
)
extern
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◆ cal_DMR_td()

template<typename TK , typename TR_in , typename TR_out >
void elecstate::DensityMatrix_Tools::cal_DMR_td ( const DensityMatrix< TK, TR_in > &  dm,
std::vector< hamilt::HContainer< TR_out > * > &  dmR_out,
const UnitCell ucell,
const ModuleBase::Vector3< double >  At,
const int  ik_in 
)
extern
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◆ func_exp_mul_dmk()

template<typename TR >
void elecstate::DensityMatrix_Tools::func_exp_mul_dmk ( const std::complex< double >  kphase,
const std::vector< std::complex< double > > &  DMK_mat_trans,
TR *  target_DMR_mat 
)
extern

◆ func_xyz_to_updown()

template<typename TR >
void elecstate::DensityMatrix_Tools::func_xyz_to_updown ( const std::complex< double >  tmp[4],
const int  icol,
const int  step_trace[4],
TR *  target_DMR_mat 
)
extern