ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
write_init.h
Go to the documentation of this file.
1#ifndef WRITE_INIT_H
2#define WRITE_INIT_H
3
5#include "source_cell/parallel_kpoints.h" // use para_grid
6#include "source_estate/module_charge/charge.h" // use chg
7#include "source_estate/fp_energy.h" // use efermi
8#include "source_estate/elecstate.h" // use pelec
9
10namespace ModuleIO
11{
12
14 const UnitCell& ucell,
15 const Parallel_Grid &para_grid,
16 const Charge &chr,
18 const int istep,
19 const Input_para& inp);
20
22 const UnitCell& ucell,
23 const Parallel_Grid &para_grid,
25 const int istep,
26 const Input_para& inp);
27
28}
29
30
31#endif
Definition charge.h:18
Definition parallel_grid.h:8
Definition unitcell.h:17
Definition elecstate.h:15
This file contains all energies about first-principle calculations.
Definition cal_dos.h:9
void write_chg_init(const UnitCell &ucell, const Parallel_Grid &para_grid, const Charge &chr, const elecstate::Efermi &efermi, const int istep, const Input_para &inp)
Definition write_init.cpp:7
void write_pot_init(const UnitCell &ucell, const Parallel_Grid &para_grid, elecstate::ElecState *pelec, const int istep, const Input_para &inp)
Definition write_init.cpp:66
Definition input_parameter.h:13
Fermi energies.
Definition fp_energy.h:63