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Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for ModuleIO::Output_Mulliken< TK >, including all inherited members.
cal_orbMulP() | ModuleIO::Output_Mulliken< TK > | private |
cal_orbMulP() | ModuleIO::Output_Mulliken< TK > | private |
cal_orbMulP() | ModuleIO::Output_Mulliken< TK > | private |
cell_index_ | ModuleIO::Output_Mulliken< TK > | private |
collect_MW(ModuleBase::matrix &MecMulP, const ModuleBase::ComplexMatrix &mud, int nw, int isk) | ModuleIO::Output_Mulliken< TK > | private |
get_atom_chg() | ModuleIO::Output_Mulliken< TK > | |
get_atom_mulliken(std::vector< std::vector< double > > &atom_chg) | ModuleIO::Output_Mulliken< TK > | |
get_orb_chg() | ModuleIO::Output_Mulliken< TK > | |
get_tot_chg() | ModuleIO::Output_Mulliken< TK > | |
isk_ | ModuleIO::Output_Mulliken< TK > | private |
nspin_ | ModuleIO::Output_Mulliken< TK > | private |
orbMulP_ | ModuleIO::Output_Mulliken< TK > | private |
output_dmk_ | ModuleIO::Output_Mulliken< TK > | private |
Output_Mulliken(Output_Sk< TK > *output_sk, Output_DMK< TK > *output_dmk, Parallel_Orbitals *ParaV, CellIndex *cell_index, const std::vector< int > &isk, int nspin) | ModuleIO::Output_Mulliken< TK > | |
output_sk_ | ModuleIO::Output_Mulliken< TK > | private |
ParaV_ | ModuleIO::Output_Mulliken< TK > | private |
print_atom_mag(const std::vector< std::vector< double > > &atom_chg, std::ostream &os) | ModuleIO::Output_Mulliken< TK > | |
set_nspin(int nspin_in) | ModuleIO::Output_Mulliken< TK > | private |
set_ParaV(Parallel_Orbitals *ParaV_in) | ModuleIO::Output_Mulliken< TK > | private |
write(int istep, std::string out_dir) | ModuleIO::Output_Mulliken< TK > | |
write_mulliken_nspin1(int istep, const std::vector< double > &tot_chg, const std::vector< std::vector< double > > &atom_chg, std::map< std::vector< int >, double > orb_chg, std::ofstream &os) | ModuleIO::Output_Mulliken< TK > | private |
write_mulliken_nspin2(int istep, const std::vector< double > &tot_chg, const std::vector< std::vector< double > > &atom_chg, std::map< std::vector< int >, double > orb_chg, std::ofstream &os) | ModuleIO::Output_Mulliken< TK > | private |
write_mulliken_nspin4(int istep, const std::vector< double > &tot_chg, const std::vector< std::vector< double > > &atom_chg, std::map< std::vector< int >, double > orb_chg, std::ofstream &os) | ModuleIO::Output_Mulliken< TK > | private |