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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
dipole_io.h File Reference
#include "source_basis/module_pw/pw_basis.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_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 ModuleIO::prepare (const UnitCell &cell, int &dir)