sltk_atom.h

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#ifndef INCLUDE_FATOM
#define INCLUDE_FATOM
 
#include <memory>
#include <vector>
 
// a class contains the atom position, 
// the type and the index,
class FAtom
{
public:
    double x;
    double y;
    double z;
 
    int type;
    int natom;
 
    int cell_x;
    int cell_y;
    int cell_z;
 
    FAtom();
    FAtom(const double& x_in, const double& y_in, const double& z_in, 
            const int& type_in, const int& natom_in, 
            const int& cell_x_in, const int& cell_y_in, const int& cell_z_in)
    {
        x = x_in;
        y = y_in;
        z = z_in;
        type = type_in;
        natom = natom_in;
        cell_x = cell_x_in;
        cell_y = cell_y_in;
        cell_z = cell_z_in;
    }
    ~FAtom()
    {
    }
};
 
#endif