abacus-develop/write__elecstat__pot_8h_source.html

#ifndef POTENTIAL_IO_H

#define POTENTIAL_IO_H

#include "source_basis/module_pw/pw_basis.h"

#include "source_cell/unitcell.h"

#include "source_estate/module_charge/charge.h"

#include "source_hamilt/module_surchem/surchem.h"


#include <string>


namespace ModuleIO

{


void write_elecstat_pot(

#ifdef __MPI

    const int& bz,

    const int& nbz,

#endif

    const std::string& fn,

    const int& istep,

    ModulePW::PW_Basis* rho_basis,

    const Charge* const chr,

    const UnitCell* ucell_,

    const double* v_effective_fixed,

    const surchem& solvent);


} // namespace ModuleIO


#endif // POTENTIAL_IO_H

charge.h

Charge
Definition charge.h:20

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

surchem
Definition surchem.h:15

__MPI
#define __MPI

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

ModuleIO::write_elecstat_pot
void write_elecstat_pot(const int &bz, const int &nbz, const std::string &fn, const int &istep, ModulePW::PW_Basis *rho_basis, const Charge *const chr, const UnitCell *ucell, const double *v_eff, const surchem &solvent)
write electric static potential to file
Definition write_elecstat_pot.cpp:14

pw_basis.h

endif
base device SOURCES math_dngvd_test cpp endif() if(ENABLE_GOOGLEBENCH) AddTest(TARGET PERF_MODULE_HSOLVER_KERNELS LIBS parameter $
Definition CMakeLists.txt:10

surchem.h

unitcell.h