1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31
|
#ifndef __test_utils_H__
#define __test_utils_H__
#include "spglib.h"
void show_symmetry_operations(int const (*rotations)[3][3],
double const (*translations)[3], int const size);
void show_matrix_3d(double const lattice[3][3]);
void show_cell(double const lattice[3][3], double const positions[][3],
int const types[], int const num_atoms);
void show_spacegroup_type(SpglibSpacegroupType const spgtype);
void show_magnetic_symmetry_operations(int const (*rotations)[3][3],
double const (*translations)[3],
int const *time_reversals,
int const size);
void show_magnetic_spacegroup_type(SpglibMagneticSpacegroupType const msgtype);
void show_spg_magnetic_dataset(SpglibMagneticDataset const *dataset);
int sub_spg_standardize_cell(double lattice[3][3], double position[][3],
int types[], int const num_atom,
double const symprec, int const to_primitive,
int const no_idealize);
int show_spg_dataset(double lattice[3][3], double const origin_shift[3],
double position[][3], int const num_atom,
int const types[]);
#ifdef _MSC_VER
// https://stackoverflow.com/a/23616164
int setenv(char const *name, char const *value, int overwrite);
#endif
#endif // __test_utils_H__
|