A dataset of the symmetry analysis, created by moyo_dataset_new and
freed by moyo_dataset_free. See moyoc.h for field documentation.
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer(kind=c_int32_t), | public | :: | number | ||||
| integer(kind=c_int32_t), | public | :: | hall_number | ||||
| type(c_ptr), | public | :: | hm_symbol | ||||
| integer(kind=c_int32_t), | public | :: | num_atoms | ||||
| type(MoyoOperations), | public | :: | operations | ||||
| type(c_ptr), | public | :: | orbits | ||||
| type(c_ptr), | public | :: | wyckoffs | ||||
| type(c_ptr), | public | :: | site_symmetry_symbols | ||||
| type(MoyoCell), | public | :: | std_cell | ||||
| real(kind=c_double), | public | :: | std_linear(3,3) | ||||
| real(kind=c_double), | public | :: | std_origin_shift(3) | ||||
| real(kind=c_double), | public | :: | std_rotation_matrix(3,3) | ||||
| type(c_ptr), | public | :: | pearson_symbol | ||||
| type(MoyoCell), | public | :: | prim_std_cell | ||||
| real(kind=c_double), | public | :: | prim_std_linear(3,3) | ||||
| real(kind=c_double), | public | :: | prim_std_origin_shift(3) | ||||
| type(c_ptr), | public | :: | mapping_std_prim | ||||
| real(kind=c_double), | public | :: | symprec | ||||
| real(kind=c_double), | public | :: | angle_tolerance |