ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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elecstate_print.h
Go to the documentation of this file.
1#ifndef ELECSATE_PRINT_H
2#define ELECSATE_PRINT_H
3
5
6namespace elecstate
7{
8 void print_format(const std::string& name,
9 const double& value);
10
11 void print_etot(const Magnetism& magnet,
12 const ElecState& elec,
13 const bool converged,
14 const int& iter_in,
15 const double& scf_thr,
16 const double& scf_thr_kin,
17 const double& duration,
18 const double& pw_diag_thr = 0,
19 const double& avg_iter = 0,
20 bool print = true);
21}
22#endif
Definition magnetism.h:9
Definition cal_dm.h:10
void print_format(const std::string &name, const double &value)
function to print name, value and value*Ry_to_eV
Definition elecstate_print.cpp:354
void print_etot(const Magnetism &magnet, const ElecState &elec, const bool converged, const int &iter_in, const double &scf_thr, const double &scf_thr_kin, const double &duration, const double &pw_diag_thr, const double &avg_iter, const bool print)
print total free energy and other energies
Definition elecstate_print.cpp:162