1 //
2 //  subspace.h
3 //  libmsym
4 //
5 //  Created by Marcus Johansson on 28/05/15.
6 //  Copyright (c) 2014 Marcus Johansson.
7 //
8 //  Distributed under the MIT License ( See LICENSE file or copy at http://opensource.org/licenses/MIT )
9 //
10 
11 #ifndef __MSYM__SUBSPACE_h
12 #define __MSYM__SUBSPACE_h
13 
14 #include <stdio.h>
15 #include "msym.h"
16 #include "character_table.h"
17 #include "point_group.h"
18 
19 void freeSubrepresentationSpaces(int srsl, msym_subrepresentation_space_t *srs);
20 msym_error_t generateSubrepresentationSpaces(msym_point_group_t *pg, int sgl, const msym_subgroup_t sg[sgl], int esl, msym_equivalence_set_t *es, msym_permutation_t **perm, int basisl, msym_basis_function_t basis[basisl], msym_element_t *elements, msym_equivalence_set_t **esmap, msym_thresholds_t *thresholds, int *osrsl, msym_subrepresentation_space_t **osrs, msym_basis_function_t ***osrsbf, int **ospan);
21 msym_error_t symmetrySpeciesComponents(msym_point_group_t *pg, int srsl, msym_subrepresentation_space_t *srs, int basisl, msym_basis_function_t *basis, double *wf, double *s);
22 
23 #endif /* defined(__MSYM__SUBSPACE_h) */
24 
25