pot_local.h

Go to the documentation of this file.

#ifndef POTLOCAL_H
#define POTLOCAL_H
 
#include "source_base/matrix.h"
#include "pot_base.h"
 
namespace elecstate
{
 
class PotLocal : public PotBase
{
  public:
    PotLocal(const ModuleBase::matrix* vloc_in, // local pseduopotentials
             const ModuleBase::ComplexMatrix* sf_in,
             const ModulePW::PW_Basis* rho_basis_in,
             double& vl_of_0)
        : vloc_(vloc_in), sf_(sf_in), vl_of_0_(&vl_of_0)
    {
        assert(this->vloc_->nr == this->sf_->nr);
        this->rho_basis_ = rho_basis_in;
        this->ntype_ = this->vloc_->nr;
        this->fixed_mode = true;
        this->dynamic_mode = false;
    }
 
    void cal_fixed_v(double* vl_pseudo) override;
 
    private:
 
    double* vl_of_0_ = nullptr;
 
    // std::vector<double> vltot;
 
    const ModuleBase::matrix* vloc_ = nullptr; // local pseduopotentials
    const ModuleBase::ComplexMatrix* sf_ = nullptr; // structure factors
    int ntype_ = 0;
};
 
} // namespace elecstate
 
#endif