grid_meshk.h

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#ifndef GRID_MESHK_H
#define GRID_MESHK_H
#include "source_base/global_function.h"
#include "source_base/global_variable.h"
#include "source_base/vector3.h"
 
class Grid_MeshK
{
    public:
        Grid_MeshK();
        ~Grid_MeshK();
 
        // calculate the index of unitcell.
        int cal_Rindex(const int& u1, const int& u2, const int& u3)const;
 
        ModuleBase::Vector3<int> get_ucell_coords(const int& Rindex)const;
 
        Grid_MeshK& operator=(Grid_MeshK&& rhs) = default;
 
      private:
        // the max and the min unitcell.
        int maxu1;
        int maxu2;
        int maxu3;
 
        int minu1;
        int minu2;
        int minu3;
 
        // the number of unitcells.
        int nu1;
        int nu2;
        int nu3;
        int nutot;
 
        // from 1D index to unitcell.
        std::vector<int> ucell_index2x;
        std::vector<int> ucell_index2y;
        std::vector<int> ucell_index2z;
 
        protected:
        // calculate the extended unitcell.
        void cal_extended_cell(const int &dxe, const int &dye, const int &dze,
                                const int& nbx, const int& nby, const int& nbz);
};
 
#endif