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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_io
module_dipole
dipole_io.h
Go to the documentation of this file.
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#ifndef DIPOLE_IO_H
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#define DIPOLE_IO_H
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#include "
source_basis/module_pw/pw_basis.h
"
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#include "
source_cell/unitcell.h
"
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#include <fstream>
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#include <string>
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namespace
ModuleIO
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{
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void
write_dipole
(
const
UnitCell
& ucell,
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const
double
* rho_save,
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const
ModulePW::PW_Basis
* rhopw,
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const
int
& istep,
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const
std::string& fn,
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std::ofstream& ofs_running,
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const
int
& precision = 11);
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double
prepare
(
const
UnitCell
& cell,
int
& dir);
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}
// namespace ModuleIO
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#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:15
ModuleIO
Definition
input_help.cpp:10
ModuleIO::write_dipole
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
ModuleIO::prepare
double prepare(const UnitCell &cell, int &dir)
Definition
write_dipole.cpp:209
pw_basis.h
unitcell.h
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