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Atomic-orbital Based Ab-initio Computation at UStc
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dipole_io.h
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1#ifndef DIPOLE_IO_H
2#define DIPOLE_IO_H
3
6
7#include <fstream>
8#include <string>
9
10namespace ModuleIO
11{
12void write_dipole(const UnitCell& ucell,
13 const double* rho_save,
14 const ModulePW::PW_Basis* rhopw,
15 const int& istep,
16 const std::string& fn,
17 std::ofstream& ofs_running,
18 const int& precision = 11);
19
20double prepare(const UnitCell& cell, int& dir);
21
22} // namespace ModuleIO
23
24#endif
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition unitcell.h:15
Definition input_help.cpp:10
void write_dipole(const UnitCell &ucell, const double *rho_save, const ModulePW::PW_Basis *rhopw, const int &istep, const std::string &fn, std::ofstream &ofs_running, const int &precision=11)
Definition write_dipole.cpp:45
double prepare(const UnitCell &cell, int &dir)
Definition write_dipole.cpp:209