/* 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