26 lines
381 B
C++
26 lines
381 B
C++
#ifndef UseSPG
|
|
#define KPATH_H
|
|
#endif
|
|
#ifndef KPATH_H
|
|
#define KPATH_H
|
|
|
|
class kPath{
|
|
public:
|
|
kPath(class DynMat *, class QNodes *);
|
|
~kPath();
|
|
|
|
void kpath();
|
|
void show_path();
|
|
void show_info();
|
|
|
|
private:
|
|
class Memory *memory;
|
|
class DynMat *dynmat;
|
|
class QNodes *q;
|
|
char symbol[11];
|
|
int spgnum, sysdim, num_atom, *attyp;
|
|
double latvec[3][3], **atpos;
|
|
|
|
};
|
|
#endif
|