gint_gamma.h

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//=========================================================
//AUTHOR : mohan
//DATE : 2009-09-16
//REFACTOR : Peize Lin, 2021.06.28
//=========================================================
#ifndef GINT_GAMMA_H
#define GINT_GAMMA_H
#include "gint.h"
#include "source_base/global_function.h"
#include "source_base/global_variable.h"
#include "grid_technique.h"
#ifdef _OPENMP
#include <omp.h>
#endif
 
//=========================================================
// ModuleBase::Integral On 3D Grids, different from Grid_Integral
// Feature : Matrix Elements Of Local Potential For 
// Numerical Orbitals
//=========================================================
 
class Gint_Gamma : public Gint
{
    public:
 
    Gint_Gamma& operator=(Gint_Gamma&& rhs);
 
    void cal_vlocal(Gint_inout* inout, const bool new_e_iteration);
 
    void cal_env(const double* wfc, double* rho,const UnitCell &ucell);
 
    void transfer_pvpR(hamilt::HContainer<double>* hR,const UnitCell* ucell);
 
private:
 
    double*** DM = nullptr;
 
};
 
#endif