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14 | 14 | #ifdef __cplusplus
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15 | 15 | extern "C" {
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16 | 16 | #endif
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17 |
| - |
| 17 | + |
| 18 | +//#include "msym_EXPORTS.h" // automatically generated by cmake |
| 19 | +#define MSYM_EXPORT |
18 | 20 | #include "msym_error.h"
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19 | 21 |
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20 | 22 | typedef struct _msym_context * msym_context;
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@@ -160,55 +162,55 @@ extern "C" {
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160 | 162 | } msym_character_table_t;
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161 | 163 |
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162 | 164 |
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163 |
| - msym_context msymCreateContext(); |
164 |
| - msym_error_t msymReleaseContext(msym_context ctx); |
165 |
| - |
166 |
| - const msym_thresholds_t *msymGetDefaultThresholds(); |
167 |
| - msym_error_t msymSetThresholds(msym_context ctx, const msym_thresholds_t *thresholds); |
168 |
| - msym_error_t msymGetThresholds(msym_context ctx, const msym_thresholds_t **thresholds); |
169 |
| - msym_error_t msymSetElements(msym_context ctx, int length, msym_element_t *elements); |
170 |
| - msym_error_t msymGetElements(msym_context ctx, int *length, msym_element_t **elements); |
171 |
| - msym_error_t msymSetBasisFunctions(msym_context ctx, int length, msym_basis_function_t *basis); |
172 |
| - msym_error_t msymGetBasisFunctions(msym_context ctx, int *length, msym_basis_function_t **basis); |
173 |
| - msym_error_t msymGetPointGroupType(msym_context ctx, msym_point_group_type_t *t, int *n); |
174 |
| - msym_error_t msymSetPointGroupByName(msym_context ctx, const char *name); |
175 |
| - msym_error_t msymSetPointGroupByType(msym_context ctx, msym_point_group_type_t type, int n); |
176 |
| - msym_error_t msymGetPointGroupName(msym_context ctx, int l, char *buf); |
177 |
| - msym_error_t msymGetSubgroups(msym_context ctx, int *l, const msym_subgroup_t **subgroups); |
178 |
| - msym_error_t msymSelectSubgroup(msym_context ctx, const msym_subgroup_t *subgroup); |
179 |
| - msym_error_t msymGetSymmetryOperations(msym_context ctx, int *sopsl, const msym_symmetry_operation_t **sops); |
180 |
| - msym_error_t msymGetEquivalenceSets(msym_context ctx, int *l, const msym_equivalence_set_t **es); |
181 |
| - msym_error_t msymGetSubrepresentationSpaces(msym_context ctx, int *l, const msym_subrepresentation_space_t **srs); |
182 |
| - msym_error_t msymGetCharacterTable(msym_context ctx, const msym_character_table_t **ct); |
183 |
| - |
184 |
| - msym_error_t msymFindEquivalenceSets(msym_context ctx); |
185 |
| - msym_error_t msymFindEquivalenceSetPermutations(msym_context ctx); |
186 |
| - msym_error_t msymFindSymmetry(msym_context ctx); |
187 |
| - msym_error_t msymSymmetrizeElements(msym_context context, double *err); |
188 |
| - msym_error_t msymApplyTranslation(msym_context ctx, msym_element_t *element, double v[3]); |
| 165 | + msym_context MSYM_EXPORT msymCreateContext(); |
| 166 | + msym_error_t MSYM_EXPORT msymReleaseContext(msym_context ctx); |
| 167 | + |
| 168 | + const msym_thresholds_t MSYM_EXPORT *msymGetDefaultThresholds(); |
| 169 | + msym_error_t MSYM_EXPORT msymSetThresholds(msym_context ctx, const msym_thresholds_t *thresholds); |
| 170 | + msym_error_t MSYM_EXPORT msymGetThresholds(msym_context ctx, const msym_thresholds_t **thresholds); |
| 171 | + msym_error_t MSYM_EXPORT msymSetElements(msym_context ctx, int length, msym_element_t *elements); |
| 172 | + msym_error_t MSYM_EXPORT msymGetElements(msym_context ctx, int *length, msym_element_t **elements); |
| 173 | + msym_error_t MSYM_EXPORT msymSetBasisFunctions(msym_context ctx, int length, msym_basis_function_t *basis); |
| 174 | + msym_error_t MSYM_EXPORT msymGetBasisFunctions(msym_context ctx, int *length, msym_basis_function_t **basis); |
| 175 | + msym_error_t MSYM_EXPORT msymGetPointGroupType(msym_context ctx, msym_point_group_type_t *t, int *n); |
| 176 | + msym_error_t MSYM_EXPORT msymSetPointGroupByName(msym_context ctx, const char *name); |
| 177 | + msym_error_t MSYM_EXPORT msymSetPointGroupByType(msym_context ctx, msym_point_group_type_t type, int n); |
| 178 | + msym_error_t MSYM_EXPORT msymGetPointGroupName(msym_context ctx, int l, char *buf); |
| 179 | + msym_error_t MSYM_EXPORT msymGetSubgroups(msym_context ctx, int *l, const msym_subgroup_t **subgroups); |
| 180 | + msym_error_t MSYM_EXPORT msymSelectSubgroup(msym_context ctx, const msym_subgroup_t *subgroup); |
| 181 | + msym_error_t MSYM_EXPORT msymGetSymmetryOperations(msym_context ctx, int *sopsl, const msym_symmetry_operation_t **sops); |
| 182 | + msym_error_t MSYM_EXPORT msymGetEquivalenceSets(msym_context ctx, int *l, const msym_equivalence_set_t **es); |
| 183 | + msym_error_t MSYM_EXPORT msymGetSubrepresentationSpaces(msym_context ctx, int *l, const msym_subrepresentation_space_t **srs); |
| 184 | + msym_error_t MSYM_EXPORT msymGetCharacterTable(msym_context ctx, const msym_character_table_t **ct); |
| 185 | + |
| 186 | + msym_error_t MSYM_EXPORT msymFindEquivalenceSets(msym_context ctx); |
| 187 | + msym_error_t MSYM_EXPORT msymFindEquivalenceSetPermutations(msym_context ctx); |
| 188 | + msym_error_t MSYM_EXPORT msymFindSymmetry(msym_context ctx); |
| 189 | + msym_error_t MSYM_EXPORT msymSymmetrizeElements(msym_context context, double *err); |
| 190 | + msym_error_t MSYM_EXPORT msymApplyTranslation(msym_context ctx, msym_element_t *element, double v[3]); |
189 | 191 | #ifdef __cplusplus
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190 |
| - msym_error_t msymSymmetrizeWavefunctions(msym_context ctx, int l, void *c, int *species, msym_partner_function_t *pf); |
191 |
| - msym_error_t msymGetSALCs(msym_context ctx, int l, void *c, int *species, msym_partner_function_t *pf); |
| 192 | + msym_error_t MSYM_EXPORT msymSymmetrizeWavefunctions(msym_context ctx, int l, void *c, int *species, msym_partner_function_t *pf); |
| 193 | + msym_error_t MSYM_EXPORT msymGetSALCs(msym_context ctx, int l, void *c, int *species, msym_partner_function_t *pf); |
192 | 194 |
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193 | 195 | #else
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194 |
| - msym_error_t msymSymmetrizeWavefunctions(msym_context ctx, int l, double c[l][l], int species[l], msym_partner_function_t pf[l]); |
195 |
| - msym_error_t msymGetSALCs(msym_context ctx, int l, double c[l][l], int species[l], msym_partner_function_t pf[l]); |
| 196 | + msym_error_t MSYM_EXPORT msymSymmetrizeWavefunctions(msym_context ctx, int l, double c[l][l], int species[l], msym_partner_function_t pf[l]); |
| 197 | + msym_error_t MSYM_EXPORT msymGetSALCs(msym_context ctx, int l, double c[l][l], int species[l], msym_partner_function_t pf[l]); |
196 | 198 | #endif
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197 |
| - msym_error_t msymSymmetrySpeciesComponents(msym_context ctx, int wfl, double *wf, int sl, double *s); |
198 |
| - msym_error_t msymGenerateElements(msym_context ctx, int length, msym_element_t *elements); |
199 |
| - msym_error_t msymGenerateSubrepresentationSpaces(msym_context ctx); |
200 |
| - msym_error_t msymAlignAxes(msym_context ctx); |
201 |
| - |
202 |
| - msym_error_t msymGetCenterOfMass(msym_context ctx, double v[3]); |
203 |
| - msym_error_t msymSetCenterOfMass(msym_context ctx, double v[3]); |
204 |
| - msym_error_t msymGetRadius(msym_context ctx, double *radius); |
205 |
| - msym_error_t msymGetGeometry(msym_context ctx, msym_geometry_t *geometry); |
206 |
| - msym_error_t msymGetPrincipalMoments(msym_context ctx, double eigval[3]); |
207 |
| - msym_error_t msymGetPrincipalAxes(msym_context ctx, double eigvec[3][3]); |
208 |
| - msym_error_t msymGetAlignmentAxes(msym_context ctx, double primary[3], double secondary[3]); |
209 |
| - msym_error_t msymSetAlignmentAxes(msym_context ctx, double primary[3], double secondary[3]); |
210 |
| - msym_error_t msymGetAlignmentTransform(msym_context ctx, double transform[3][3]); |
211 |
| - msym_error_t msymSetAlignmentTransform(msym_context ctx, double transform[3][3]); |
| 199 | + msym_error_t MSYM_EXPORT msymSymmetrySpeciesComponents(msym_context ctx, int wfl, double *wf, int sl, double *s); |
| 200 | + msym_error_t MSYM_EXPORT msymGenerateElements(msym_context ctx, int length, msym_element_t *elements); |
| 201 | + msym_error_t MSYM_EXPORT msymGenerateSubrepresentationSpaces(msym_context ctx); |
| 202 | + msym_error_t MSYM_EXPORT msymAlignAxes(msym_context ctx); |
| 203 | + |
| 204 | + msym_error_t MSYM_EXPORT msymGetCenterOfMass(msym_context ctx, double v[3]); |
| 205 | + msym_error_t MSYM_EXPORT msymSetCenterOfMass(msym_context ctx, double v[3]); |
| 206 | + msym_error_t MSYM_EXPORT msymGetRadius(msym_context ctx, double *radius); |
| 207 | + msym_error_t MSYM_EXPORT msymGetGeometry(msym_context ctx, msym_geometry_t *geometry); |
| 208 | + msym_error_t MSYM_EXPORT msymGetPrincipalMoments(msym_context ctx, double eigval[3]); |
| 209 | + msym_error_t MSYM_EXPORT msymGetPrincipalAxes(msym_context ctx, double eigvec[3][3]); |
| 210 | + msym_error_t MSYM_EXPORT msymGetAlignmentAxes(msym_context ctx, double primary[3], double secondary[3]); |
| 211 | + msym_error_t MSYM_EXPORT msymSetAlignmentAxes(msym_context ctx, double primary[3], double secondary[3]); |
| 212 | + msym_error_t MSYM_EXPORT msymGetAlignmentTransform(msym_context ctx, double transform[3][3]); |
| 213 | + msym_error_t MSYM_EXPORT msymSetAlignmentTransform(msym_context ctx, double transform[3][3]); |
212 | 214 |
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213 | 215 | #ifdef __cplusplus
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214 | 216 | }
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