abacus-develop/dipole__io_8h_source.html

#ifndef DIPOLE_IO_H

#define DIPOLE_IO_H


#include "source_basis/module_pw/pw_basis.h"


#include <string>


namespace ModuleIO

{

void write_dipole(const UnitCell& ucell,

                  const double* rho_save,

                  const ModulePW::PW_Basis* rhopw,

                  const int& is,

                  const int& istep,

                  const std::string& fn,

                  const int& precision = 11);


double prepare(const UnitCell& cell, int& dir);


} // namespace ModuleIO


#endif

ModulePW::PW_Basis
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56

UnitCell
Definition unitcell.h:16

ModuleIO
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9

ModuleIO::prepare
double prepare(const UnitCell &cell, int &dir)
Definition write_dipole.cpp:148

ModuleIO::write_dipole
void write_dipole(const UnitCell &ucell, const double *rho_save, const ModulePW::PW_Basis *rhopw, const int &is, const int &istep, const std::string &fn, const int &precision=11)
Definition write_dipole.cpp:8

pw_basis.h