| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | spacegroup.c | 507 double tmat[3][3], inv_tmat[3][3], shift[3][3]; in spa_transform_from_primitive() local
519 mat_inverse_matrix_d3(inv_tmat, A_mat, 0); in spa_transform_from_primitive()
523 mat_inverse_matrix_d3(inv_tmat, C_mat, 0); in spa_transform_from_primitive()
527 mat_inverse_matrix_d3(inv_tmat, F_mat, 0); in spa_transform_from_primitive()
531 mat_inverse_matrix_d3(inv_tmat, I_mat, 0); in spa_transform_from_primitive()
535 mat_inverse_matrix_d3(inv_tmat, R_mat, 0); in spa_transform_from_primitive()
555 mat_multiply_matrix_d3(std_cell->lattice, primitive->lattice, inv_tmat); in spa_transform_from_primitive()
1269 double inv_tmat[3][3], shift[3][3]; in get_conventional_symmetry() local
1314 mat_inverse_matrix_d3(inv_tmat, transform_mat, 0); in get_conventional_symmetry()
1316 inv_tmat, in get_conventional_symmetry()
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| H A D | refinement.c | 128 SPGCONST double inv_tmat[3][3]);
135 SPGCONST double inv_tmat[3][3],
1077 double inv_tmat[3][3], tmp_mat[3][3]; in recover_symmetry_in_original_cell() local
1087 mat_inverse_matrix_d3(inv_tmat, tmp_mat, 0); in recover_symmetry_in_original_cell()
1089 if ((lattice_trans = get_lattice_translations(frame, inv_tmat)) == NULL) { in recover_symmetry_in_original_cell()
1102 inv_tmat, in recover_symmetry_in_original_cell()
1129 SPGCONST double inv_tmat[3][3]) in get_lattice_translations()
1151 inv_tmat, in get_lattice_translations()
1214 SPGCONST double inv_tmat[3][3], in get_symmetry_in_original_cell()
1235 mat_multiply_matrix_di3(tmp_mat, inv_tmat, prim_sym->rot[i]); in get_symmetry_in_original_cell()
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | spacegroup.c | 462 double tmat[3][3], inv_tmat[3][3], shift[3][3]; in spa_transform_from_primitive() local
474 mat_inverse_matrix_d3(inv_tmat, A_mat, 0); in spa_transform_from_primitive()
478 mat_inverse_matrix_d3(inv_tmat, C_mat, 0); in spa_transform_from_primitive()
482 mat_inverse_matrix_d3(inv_tmat, F_mat, 0); in spa_transform_from_primitive()
486 mat_inverse_matrix_d3(inv_tmat, I_mat, 0); in spa_transform_from_primitive()
490 mat_inverse_matrix_d3(inv_tmat, R_mat, 0); in spa_transform_from_primitive()
510 mat_multiply_matrix_d3(std_cell->lattice, primitive->lattice, inv_tmat); in spa_transform_from_primitive()
1241 double inv_tmat[3][3], shift[3][3]; in get_conventional_symmetry() local
1286 mat_inverse_matrix_d3(inv_tmat, transform_mat, 0); in get_conventional_symmetry()
1288 inv_tmat, in get_conventional_symmetry()
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| H A D | refinement.c | 127 SPGCONST double inv_tmat[3][3]);
134 SPGCONST double inv_tmat[3][3],
946 double inv_tmat[3][3], tmp_mat[3][3]; in recover_symmetry_in_original_cell() local
955 mat_inverse_matrix_d3(inv_tmat, tmp_mat, 0); in recover_symmetry_in_original_cell()
957 if ((lattice_trans = get_lattice_translations(frame, inv_tmat)) == NULL) { in recover_symmetry_in_original_cell()
970 inv_tmat, in recover_symmetry_in_original_cell()
997 SPGCONST double inv_tmat[3][3]) in get_lattice_translations()
1019 inv_tmat, in get_lattice_translations()
1082 SPGCONST double inv_tmat[3][3], in get_symmetry_in_original_cell()
1103 mat_multiply_matrix_di3(tmp_mat, inv_tmat, prim_sym->rot[i]); in get_symmetry_in_original_cell()
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| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | refinement.c | 137 SPGCONST double inv_tmat[3][3]);
144 SPGCONST double inv_tmat[3][3],
1209 double inv_tmat[3][3], tmp_mat[3][3]; in recover_symmetry_in_original_cell() local
1219 mat_inverse_matrix_d3(inv_tmat, tmp_mat, 0); in recover_symmetry_in_original_cell()
1221 if ((lattice_trans = get_lattice_translations(frame, inv_tmat)) == NULL) { in recover_symmetry_in_original_cell()
1234 inv_tmat, in recover_symmetry_in_original_cell()
1261 SPGCONST double inv_tmat[3][3]) in get_lattice_translations()
1283 inv_tmat, in get_lattice_translations()
1346 SPGCONST double inv_tmat[3][3], in get_symmetry_in_original_cell()
1367 mat_multiply_matrix_di3(tmp_mat, inv_tmat, prim_sym->rot[i]); in get_symmetry_in_original_cell()
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| H A D | spacegroup.c | 713 double tmat[3][3], inv_tmat[3][3], shift[3][3]; in spa_transform_from_primitive() local
725 mat_inverse_matrix_d3(inv_tmat, A_mat, 0); in spa_transform_from_primitive()
729 mat_inverse_matrix_d3(inv_tmat, C_mat, 0); in spa_transform_from_primitive()
733 mat_inverse_matrix_d3(inv_tmat, F_mat, 0); in spa_transform_from_primitive()
737 mat_inverse_matrix_d3(inv_tmat, I_mat, 0); in spa_transform_from_primitive()
741 mat_inverse_matrix_d3(inv_tmat, R_mat, 0); in spa_transform_from_primitive()
761 mat_multiply_matrix_d3(std_cell->lattice, primitive->lattice, inv_tmat); in spa_transform_from_primitive()
1938 double inv_tmat[3][3], shift[3][3]; in get_conventional_symmetry() local
1983 mat_inverse_matrix_d3(inv_tmat, tmat, 0); in get_conventional_symmetry()
1985 inv_tmat, in get_conventional_symmetry()
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| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | refinement.c | 137 SPGCONST double inv_tmat[3][3]);
144 SPGCONST double inv_tmat[3][3],
1209 double inv_tmat[3][3], tmp_mat[3][3]; in recover_symmetry_in_original_cell() local
1219 mat_inverse_matrix_d3(inv_tmat, tmp_mat, 0); in recover_symmetry_in_original_cell()
1221 if ((lattice_trans = get_lattice_translations(frame, inv_tmat)) == NULL) { in recover_symmetry_in_original_cell()
1234 inv_tmat, in recover_symmetry_in_original_cell()
1261 SPGCONST double inv_tmat[3][3]) in get_lattice_translations()
1283 inv_tmat, in get_lattice_translations()
1346 SPGCONST double inv_tmat[3][3], in get_symmetry_in_original_cell()
1367 mat_multiply_matrix_di3(tmp_mat, inv_tmat, prim_sym->rot[i]); in get_symmetry_in_original_cell()
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| H A D | spacegroup.c | 713 double tmat[3][3], inv_tmat[3][3], shift[3][3]; in spa_transform_from_primitive() local
725 mat_inverse_matrix_d3(inv_tmat, A_mat, 0); in spa_transform_from_primitive()
729 mat_inverse_matrix_d3(inv_tmat, C_mat, 0); in spa_transform_from_primitive()
733 mat_inverse_matrix_d3(inv_tmat, F_mat, 0); in spa_transform_from_primitive()
737 mat_inverse_matrix_d3(inv_tmat, I_mat, 0); in spa_transform_from_primitive()
741 mat_inverse_matrix_d3(inv_tmat, R_mat, 0); in spa_transform_from_primitive()
761 mat_multiply_matrix_d3(std_cell->lattice, primitive->lattice, inv_tmat); in spa_transform_from_primitive()
1938 double inv_tmat[3][3], shift[3][3]; in get_conventional_symmetry() local
1983 mat_inverse_matrix_d3(inv_tmat, tmat, 0); in get_conventional_symmetry()
1985 inv_tmat, in get_conventional_symmetry()
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