lammps/tools/phonon/kpath.h

33 lines
423 B
C++

#ifndef UseSPG
#define KPATH_H
#endif
#ifndef KPATH_H
#define KPATH_H
#include "qnodes.h"
#include "dynmat.h"
#include "memory.h"
class kPath{
public:
kPath(DynMat *, QNodes *);
~kPath();
void kpath();
void show_path();
void show_info();
private:
Memory *memory;
DynMat *dynmat;
QNodes *q;
char symbol[11];
int spgnum, sysdim, fftdim, num_atom, *attyp;
double latvec[3][3], **atpos;
};
#endif