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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
cal_dm_psi.h File Reference
#include "source_base/matrix.h"
#include "density_matrix.h"
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Namespaces

namespace  elecstate
 

Functions

void elecstate::cal_dm_psi (const Parallel_Orbitals *ParaV, const ModuleBase::matrix &wg, const psi::Psi< double > &wfc, elecstate::DensityMatrix< double, double > &DM)
 
void elecstate::cal_dm_psi (const Parallel_Orbitals *ParaV, const ModuleBase::matrix &wg, const psi::Psi< std::complex< double > > &wfc, elecstate::DensityMatrix< std::complex< double >, double > &DM)
 
void elecstate::psiMulPsiMpi (const psi::Psi< double > &psi1, const psi::Psi< double > &psi2, double *dm_out, const int *desc_psi, const int *desc_dm)
 
void elecstate::psiMulPsiMpi (const psi::Psi< std::complex< double > > &psi1, const psi::Psi< std::complex< double > > &psi2, std::complex< double > *dm_out, const int *desc_psi, const int *desc_dm)
 
void elecstate::psiMulPsi (const psi::Psi< double > &psi1, const psi::Psi< double > &psi2, double *dm_out)
 
void elecstate::psiMulPsi (const psi::Psi< std::complex< double > > &psi1, const psi::Psi< std::complex< double > > &psi2, std::complex< double > *dm_out)