gint_env_gamma.h

Go to the documentation of this file.

#pragma once
 
#include <memory>
#include <vector>
#include "gint.h"
#include "gint_info.h"
 
namespace ModuleGint
{
 
class Gint_env_gamma : public Gint
{
    public:
    Gint_env_gamma(
        const double* psid,
        const Parallel_Orbitals* pv,
        const int nbands,
        const int nlocal,
        double* rho);
 
    void cal_env_band(const int iband);
 
    private:
    // output
    double* rho_ = nullptr;
 
    // intermediate variable
    std::vector<double> wfc_gint_;
};
 
}