ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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onsite_proj_print.h
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1#ifndef MODULEHAMILTPW_ONSITE_PROJ_PRINT_H
2#define MODULEHAMILTPW_ONSITE_PROJ_PRINT_H
3
5#include <vector>
6#include <string>
7#include <complex>
8
9namespace projectors {
10namespace print {
11
20void print_orb_chg(
21 const UnitCell* ucell,
22 const std::vector<std::complex<double>>& occs,
23 const std::vector<int>& iat_nh,
24 const std::vector<std::string>& atom_labels);
25
35 const std::vector<std::string>& atom_labels,
36 const std::vector<double>& mag_x,
37 const std::vector<double>& mag_y,
38 const std::vector<double>& mag_z);
39
46void print_proj_status(int it, int nproj_it);
47
48} // namespace print
49} // namespace projectors
50
51#endif // MODULEHAMILTPW_ONSITE_PROJ_PRINT_H
Definition unitcell.h:15
void print_proj_status(int it, int nproj_it)
Print projector initialization status.
Definition onsite_proj_print.cpp:96
void print_mag_table(const std::vector< std::string > &atom_labels, const std::vector< double > &mag_x, const std::vector< double > &mag_y, const std::vector< double > &mag_z)
Print magnetism table.
Definition onsite_proj_print.cpp:78
void print_orb_chg(const UnitCell *ucell, const std::vector< std::complex< double > > &occs, const std::vector< int > &iat_nh, const std::vector< std::string > &atom_labels)
Print orbital charge analysis.
Definition onsite_proj_print.cpp:7
Definition onsite_proj.h:15