ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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output_info.h
Go to the documentation of this file.
1#ifndef OUTPUT_INFO_H
2#define OUTPUT_INFO_H
3
6
7
12namespace Json
13{
14#ifdef __RAPIDJSON
15
16 void init_output_array_obj();
17
18 void add_output_cell_coo_stress_force(
19 const UnitCell *ucell,
20 const ModuleBase::matrix force, const double fac,
21 const ModuleBase::matrix stress, const double unit_transform
22 );
23
24 void add_output_efermi_converge(const double efermi, const bool scf_converge );
25 void add_output_energy(const double energy );
26
27 void add_output_scf_mag(
28 const double total_mag, const double absolute_mag,
29 const double energy, const double ediff, const double drho,const double time
30 );
31
32#endif
33}
34#endif
Definition matrix.h:18
Definition unitcell.h:15
In this part of the code to complete the general_info part of the json tree.
Definition abacusjson.cpp:9
Fermi energies.