phonopy/c/spglib_h/spg_database.h

27 lines
682 B
C

/* spg_database.h */
/* Copyright (C) 2010 Atsushi Togo */
#ifndef __spg_database_H__
#define __spg_database_H__
#include "lattice.h"
#include "pointgroup.h"
typedef struct {
int number;
char schoenflies[7];
char hall_symbol[17];
char international[32];
char international_full[20];
char international_short[11];
char setting[6];
int pointgroup_number;
} SpacegroupType;
int spgdb_get_operation(int rot[3][3], double trans[3], const int hall_number);
void spgdb_get_operation_index(int indices[2], const int hall_number);
Symmetry * spgdb_get_spacegroup_operations(const int hall_number);
SpacegroupType spgdb_get_spacegroup_type(const int hall_number);
#endif