write_elecstat_pot.h File Reference

#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>

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Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
void	ModuleIO::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_effective_fixed, const surchem &solvent)
	write electric static potential to file