| /dports/science/berkeleygw/BGW-2.0.0/MeanField/spglib-1.0.9/ |
| H A D | spglib_f_meta.c | 42 symprec ); in spg_get_multiplicity_f()
56 symprec ); in spg_get_multiplicity_f_()
78 symprec ); in spg_get_max_multiplicity_f()
92 symprec ); in spg_get_max_multiplicity_f_()
123 symprec ); in spg_get_symmetry_f()
143 symprec ); in spg_get_symmetry_f_()
156 symprec ); in spg_get_smallest_lattice_f()
164 symprec ); in spg_get_smallest_lattice_f_()
261 symprec ); in spg_get_schoenflies_f()
296 symprec ); in spg_find_primitive_f()
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| H A D | spglib_f.c | 13 double *symprec );
19 double *symprec );
28 double *symprec );
31 double *symprec );
50 double *symprec );
55 double *symprec );
87 double *symprec) in spg_get_max_multiplicity_() argument
100 double *symprec ) in spg_get_symmetry_() argument
108 double *symprec ) in spg_get_smallest_lattice_() argument
145 *symprec); in spg_refine_cell_()
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| H A D | spglib.h | 86 const double symprec );
103 const double symprec );
115 const double symprec );
121 const double symprec );
129 const double symprec );
138 const double symprec );
147 const double symprec );
156 const double symprec );
167 const double symprec );
187 const double symprec );
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| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | spglib_f.c | 43 double *symprec);
52 double *symprec);
67 double *symprec);
74 double *symprec);
79 double *symprec);
114 double *symprec) in spg_get_symmetry_() argument
149 double *symprec) in spg_refine_cell_() argument
191 double *symprec) in spg_find_primitive_() argument
201 spg_delaunay_reduce(lattice, *symprec); in spg_delaunay_reduce_()
205 double *symprec) in spg_niggli_reduce_() argument
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| H A D | spglib.h | 206 const double symprec);
215 const double symprec,
290 const double symprec);
296 const double symprec,
323 const double symprec);
330 const double symprec,
358 const double symprec);
378 const double symprec);
384 const double symprec,
397 const double symprec);
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| H A D | hall_symbol.c | 1491 symprec); in hal_match_hall_symbol_db()
1720 symprec)) {return 1;} in is_hall_symbol_hexa()
1742 symprec)) {return 1;} in is_hall_symbol_trigonal()
1772 symprec)) {return 1;} in is_hall_symbol_rhombo()
1784 symprec)) {return 1;} in is_hall_symbol_rhombo()
1809 symprec)) {return 1;} in is_hall_symbol_tetra()
1820 symprec)) {return 1;} in is_hall_symbol_tetra()
1845 symprec)) {return 1;} in is_hall_symbol_ortho()
1856 symprec)) {return 1;} in is_hall_symbol_ortho()
1867 symprec)) {return 1;} in is_hall_symbol_ortho()
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| H A D | spacegroup.c | 553 const double symprec);
787 symprec); in spa_transform_from_primitive()
907 tolerance = symprec; in iterative_search_hall_number()
1035 symprec)) { in search_hall_number()
1072 if (! niggli_reduce(niggli_cell, symprec * symprec)) { in change_basis_tricli()
1221 symprec)) {break;} in match_hall_symbol_db()
1780 symprec); in match_hall_symbol_db_rhombo()
1797 symprec); in match_hall_symbol_db_rhombo()
1834 symprec); in match_hall_symbol_db_others()
1848 symprec); in match_hall_symbol_db_others()
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| H A D | spin.c | 54 const double symprec);
57 const double symprec);
61 const double symprec);
68 const double symprec);
105 symprec)) == 0) { in spn_get_operations_with_site_tensors()
132 symprec, in spn_get_operations_with_site_tensors()
354 const double symprec) in check_spin() argument
357 if (mat_Dabs(spin_j - spin_k) < symprec) { in check_spin()
360 if (mat_Dabs(spin_j + spin_k) < symprec) { in check_spin()
380 const double symprec) in check_vector() argument
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| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | spglib_f.c | 43 double *symprec);
74 double *symprec);
79 double *symprec);
90 double *symprec);
157 *symprec); in spg_refine_cell_()
168 double *symprec) in spg_get_schoenflies_() argument
191 double *symprec) in spg_find_primitive_() argument
195 *symprec); in spg_find_primitive_()
199 double *symprec) in spg_delaunay_reduce_() argument
205 double *symprec) in spg_niggli_reduce_() argument
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| H A D | spglib.h | 200 const double symprec);
209 const double symprec,
249 const double symprec);
255 const double symprec,
282 const double symprec);
289 const double symprec,
317 const double symprec);
337 const double symprec);
343 const double symprec,
356 const double symprec);
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| H A D | hall_symbol.c | 1490 symprec); in hal_match_hall_symbol_db()
1671 symprec)) {return 1;} in is_hall_symbol_cubic()
1682 symprec)) {return 1;} in is_hall_symbol_cubic()
1693 symprec)) {return 1;} in is_hall_symbol_cubic()
1716 symprec)) {return 1;} in is_hall_symbol_hexa()
1738 symprec)) {return 1;} in is_hall_symbol_trigonal()
1768 symprec)) {return 1;} in is_hall_symbol_rhombo()
1780 symprec)) {return 1;} in is_hall_symbol_rhombo()
1805 symprec)) {return 1;} in is_hall_symbol_tetra()
1816 symprec)) {return 1;} in is_hall_symbol_tetra()
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| H A D | delaunay.c | 46 SPGCONST double symprec);
56 const double symprec);
68 const double symprec) in del_delaunay_reduce() argument
78 const double symprec) in del_delaunay_reduce_2D() argument
89 const double symprec) in delaunay_reduce() argument
109 get_delaunay_shortest_vectors(basis, symprec); in delaunay_reduce()
118 if (mat_Dabs(volume) < symprec) { in delaunay_reduce()
211 if (dot_product > symprec) { in delaunay_reduce_basis()
250 const double symprec) in delaunay_reduce_2D() argument
301 if (mat_Dabs(volume) < symprec) { in delaunay_reduce_2D()
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| H A D | spglib.c | 252 symprec, in spg_get_dataset()
269 symprec, in spgat_get_dataset()
286 symprec, in spg_get_dataset_with_hall_number()
305 symprec, in spgat_get_dataset_with_hall_number()
483 symprec, in spg_get_multiplicity()
499 symprec, in spgat_get_multiplicity()
516 symprec, in spg_get_international()
551 symprec, in spg_get_schoenflies()
569 symprec, in spgat_get_schoenflies()
783 symprec, in spg_refine_cell()
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| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | spglib_f.c | 43 double *symprec);
52 double *symprec);
67 double *symprec);
74 double *symprec);
79 double *symprec);
114 double *symprec) in spg_get_symmetry_() argument
149 double *symprec) in spg_refine_cell_() argument
191 double *symprec) in spg_find_primitive_() argument
201 spg_delaunay_reduce(lattice, *symprec); in spg_delaunay_reduce_()
205 double *symprec) in spg_niggli_reduce_() argument
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| H A D | spglib.h | 206 const double symprec);
215 const double symprec,
290 const double symprec);
296 const double symprec,
323 const double symprec);
330 const double symprec,
358 const double symprec);
378 const double symprec);
384 const double symprec,
397 const double symprec);
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| H A D | hall_symbol.c | 1491 symprec); in hal_match_hall_symbol_db()
1720 symprec)) {return 1;} in is_hall_symbol_hexa()
1742 symprec)) {return 1;} in is_hall_symbol_trigonal()
1772 symprec)) {return 1;} in is_hall_symbol_rhombo()
1784 symprec)) {return 1;} in is_hall_symbol_rhombo()
1809 symprec)) {return 1;} in is_hall_symbol_tetra()
1820 symprec)) {return 1;} in is_hall_symbol_tetra()
1845 symprec)) {return 1;} in is_hall_symbol_ortho()
1856 symprec)) {return 1;} in is_hall_symbol_ortho()
1867 symprec)) {return 1;} in is_hall_symbol_ortho()
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| H A D | spacegroup.c | 553 const double symprec);
787 symprec); in spa_transform_from_primitive()
907 tolerance = symprec; in iterative_search_hall_number()
1035 symprec)) { in search_hall_number()
1072 if (! niggli_reduce(niggli_cell, symprec * symprec)) { in change_basis_tricli()
1221 symprec)) {break;} in match_hall_symbol_db()
1780 symprec); in match_hall_symbol_db_rhombo()
1797 symprec); in match_hall_symbol_db_rhombo()
1834 symprec); in match_hall_symbol_db_others()
1848 symprec); in match_hall_symbol_db_others()
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| H A D | spin.c | 54 const double symprec);
57 const double symprec);
61 const double symprec);
68 const double symprec);
105 symprec)) == 0) { in spn_get_operations_with_site_tensors()
132 symprec, in spn_get_operations_with_site_tensors()
354 const double symprec) in check_spin() argument
357 if (mat_Dabs(spin_j - spin_k) < symprec) { in check_spin()
360 if (mat_Dabs(spin_j + spin_k) < symprec) { in check_spin()
380 const double symprec) in check_vector() argument
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| /dports/science/py-spglib/spglib-1.16.2/python/test/ |
| H A D | test_spglib.py | 81 dataset = get_symmetry_dataset(cell, symprec=symprec)
86 symprec=symprec)
125 symprec=symprec)
126 dataset = get_symmetry_dataset(std_cell, symprec=symprec)
147 symprec=symprec)
151 symprec=symprec)
152 dataset = get_symmetry_dataset(std_cell, symprec=symprec)
167 symprec=symprec)
168 dataset = get_symmetry_dataset(prim_cell, symprec=symprec)
221 dataset = get_symmetry_dataset(cell, symprec=symprec)
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| /dports/science/spglib/spglib-1.16.2/python/test/ |
| H A D | test_spglib.py | 81 dataset = get_symmetry_dataset(cell, symprec=symprec)
86 symprec=symprec)
125 symprec=symprec)
126 dataset = get_symmetry_dataset(std_cell, symprec=symprec)
147 symprec=symprec)
151 symprec=symprec)
152 dataset = get_symmetry_dataset(std_cell, symprec=symprec)
167 symprec=symprec)
168 dataset = get_symmetry_dataset(prim_cell, symprec=symprec)
221 dataset = get_symmetry_dataset(cell, symprec=symprec)
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/test/ |
| H A D | test_spglib.py | 60 symprec = 1e-1
62 symprec = 1e-5
63 dataset = get_symmetry_dataset(cell, symprec=symprec)
68 symprec=symprec)
90 symprec=1e-1)
96 symprec=1e-5)
109 symprec=1e-1)
113 symprec=1e-1)
119 symprec=1e-5)
123 symprec=1e-5)
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | spglib.h | 153 const double symprec);
159 const double symprec,
177 const double symprec,
244 const double symprec);
250 const double symprec,
260 const double symprec);
277 const double symprec);
284 const double symprec,
312 const double symprec);
320 const double symprec,
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| H A D | hall_symbol.c | 1490 symprec); in hal_match_hall_symbol_db()
1658 const double symprec) in is_hall_symbol_cubic() argument
1671 symprec)) {return 1;} in is_hall_symbol_cubic()
1682 symprec)) {return 1;} in is_hall_symbol_cubic()
1693 symprec)) {return 1;} in is_hall_symbol_cubic()
1768 symprec)) {return 1;} in is_hall_symbol_rhombo()
1780 symprec)) {return 1;} in is_hall_symbol_rhombo()
1792 const double symprec) in is_hall_symbol_tetra() argument
1805 symprec)) {return 1;} in is_hall_symbol_tetra()
1816 symprec)) {return 1;} in is_hall_symbol_tetra()
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| H A D | delaunay.c | 46 SPGCONST double symprec);
48 const double symprec);
50 const double symprec);
56 const double symprec);
58 const double symprec);
68 const double symprec) in del_delaunay_reduce() argument
78 const double symprec) in del_delaunay_reduce_2D() argument
89 const double symprec) in delaunay_reduce() argument
138 const double symprec) in get_delaunay_shortest_vectors() argument
189 const double symprec) in delaunay_reduce_basis() argument
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| H A D | spglib.c | 255 symprec, in spg_get_dataset()
272 symprec, in spgat_get_dataset()
289 symprec, in spg_get_dataset_with_hall_number()
308 symprec, in spgat_get_dataset_with_hall_number()
484 symprec, in spg_get_multiplicity()
500 symprec, in spgat_get_multiplicity()
552 symprec, in spg_get_schoenflies()
570 symprec, in spgat_get_schoenflies()
1048 tolerance = symprec; in get_dataset()
1753 symprec, in get_international()
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