| /dports/science/berkeleygw/BGW-2.0.0/MeanField/spglib-1.0.9/ |
| H A D | spglib_f_meta.c | 36 double *symprec ) { in spg_get_multiplicity_f()
50 double *symprec ) { in spg_get_multiplicity_f_()
72 double *symprec ) { in spg_get_max_multiplicity_f()
86 double *symprec ) { in spg_get_max_multiplicity_f_()
114 double *symprec ) { in spg_get_symmetry_f()
134 double *symprec ) { in spg_get_symmetry_f_()
153 double *symprec ) { in spg_get_smallest_lattice_f()
161 double *symprec ) { in spg_get_smallest_lattice_f_()
254 double *symprec ) { in spg_get_schoenflies_f()
291 double *symprec ) { in spg_find_primitive_f()
[all …]
|
| H A D | spglib_f.c | 77 double *symprec ) in spg_get_multiplicity_()
87 double *symprec) in spg_get_max_multiplicity_()
100 double *symprec ) in spg_get_symmetry_()
108 double *symprec ) in spg_get_smallest_lattice_()
119 double *symprec ) in spg_get_international_()
137 double *symprec ) in spg_refine_cell_()
156 double *symprec ) in spg_get_schoenflies_()
174 double *symprec ) in spg_find_primitive_()
191 double *symprec ) in spg_get_ir_reciprocal_mesh_()
|
| H A D | spglib.c | 21 const double symprec ) in spg_get_dataset()
168 const double symprec ) in spg_get_symmetry()
204 const double symprec ) in spg_get_multiplicity()
224 const double symprec ) in spg_get_smallest_lattice()
233 const double symprec ) in spg_get_max_multiplicity()
252 const double symprec ) in spg_find_primitive()
295 const double symprec ) in spg_get_international()
316 const double symprec ) in spg_get_schoenflies()
338 const double symprec ) in spg_refine_cell()
373 const double symprec ) in spg_get_ir_kpoints()
[all …]
|
| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | spglib_f.c | 101 double *symprec) in spg_get_multiplicity_()
114 double *symprec) in spg_get_symmetry_()
126 double *symprec) in spg_get_international_()
149 double *symprec) in spg_refine_cell_()
168 double *symprec) in spg_get_schoenflies_()
191 double *symprec) in spg_find_primitive_()
199 double *symprec) in spg_delaunay_reduce_()
205 double *symprec) in spg_niggli_reduce_()
220 double *symprec) in spg_get_ir_reciprocal_mesh_()
|
| H A D | delaunay.c | 69 const double symprec) in del_delaunay_reduce()
79 const double symprec) in del_delaunay_reduce_2D()
90 const double symprec) in delaunay_reduce()
152 const double symprec) in get_delaunay_shortest_vectors()
203 const double symprec) in delaunay_reduce_basis()
253 const double symprec) in delaunay_reduce_2D()
322 const double symprec) in delaunay_reduce_basis_2D()
355 const double symprec) in get_delaunay_shortest_vectors_2D()
|
| H A D | spglib.c | 386 const double symprec) in spg_get_symmetry()
407 const double symprec, in spgat_get_symmetry()
628 const double symprec) in spg_get_multiplicity()
660 const double symprec) in spg_get_international()
695 const double symprec) in spg_get_schoenflies()
712 const double symprec, in spgat_get_schoenflies()
829 const double symprec) in spg_standardize_cell()
896 const double symprec) in spg_find_primitive()
911 const double symprec, in spgat_find_primitive()
927 const double symprec) in spg_refine_cell()
[all …]
|
| H A D | symmetry.c | 190 const double symprec, in sym_get_operation()
202 const double symprec, in sym_reduce_operation()
210 const double symprec) in sym_get_pure_translation()
242 const double symprec, in sym_reduce_pure_translation()
300 const double symprec, in get_operations()
329 const double symprec, in reduce_operation()
405 const double symprec, in get_translation()
477 const double symprec, in search_translation_part()
596 const double symprec, in is_overlap_all_atoms()
664 const double symprec) in get_space_group_operations()
[all …]
|
| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | spglib_f.c | 101 double *symprec) in spg_get_multiplicity_()
114 double *symprec) in spg_get_symmetry_()
126 double *symprec) in spg_get_international_()
149 double *symprec) in spg_refine_cell_()
168 double *symprec) in spg_get_schoenflies_()
191 double *symprec) in spg_find_primitive_()
199 double *symprec) in spg_delaunay_reduce_()
205 double *symprec) in spg_niggli_reduce_()
220 double *symprec) in spg_get_ir_reciprocal_mesh_()
|
| H A D | delaunay.c | 68 const double symprec) in del_delaunay_reduce()
78 const double symprec) in del_delaunay_reduce_2D()
89 const double symprec) in delaunay_reduce()
149 const double symprec) in get_delaunay_shortest_vectors()
200 const double symprec) in delaunay_reduce_basis()
250 const double symprec) in delaunay_reduce_2D()
319 const double symprec) in delaunay_reduce_basis_2D()
352 const double symprec) in get_delaunay_shortest_vectors_2D()
|
| H A D | spglib.c | 356 const double symprec) in spg_get_symmetry()
377 const double symprec, in spgat_get_symmetry()
477 const double symprec) in spg_get_multiplicity()
509 const double symprec) in spg_get_international()
544 const double symprec) in spg_get_schoenflies()
561 const double symprec, in spgat_get_schoenflies()
678 const double symprec) in spg_standardize_cell()
745 const double symprec) in spg_find_primitive()
760 const double symprec, in spgat_find_primitive()
776 const double symprec) in spg_refine_cell()
[all …]
|
| H A D | symmetry.c | 190 const double symprec, in sym_get_operation()
202 const double symprec, in sym_reduce_operation()
210 const double symprec) in sym_get_pure_translation()
242 const double symprec, in sym_reduce_pure_translation()
300 const double symprec, in get_operations()
329 const double symprec, in reduce_operation()
405 const double symprec, in get_translation()
477 const double symprec, in search_translation_part()
596 const double symprec, in is_overlap_all_atoms()
664 const double symprec) in get_space_group_operations()
[all …]
|
| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | spglib_f.c | 101 double *symprec) in spg_get_multiplicity_()
114 double *symprec) in spg_get_symmetry_()
126 double *symprec) in spg_get_international_()
149 double *symprec) in spg_refine_cell_()
168 double *symprec) in spg_get_schoenflies_()
191 double *symprec) in spg_find_primitive_()
199 double *symprec) in spg_delaunay_reduce_()
205 double *symprec) in spg_niggli_reduce_()
220 double *symprec) in spg_get_ir_reciprocal_mesh_()
|
| H A D | delaunay.c | 69 const double symprec) in del_delaunay_reduce()
79 const double symprec) in del_delaunay_reduce_2D()
90 const double symprec) in delaunay_reduce()
152 const double symprec) in get_delaunay_shortest_vectors()
203 const double symprec) in delaunay_reduce_basis()
253 const double symprec) in delaunay_reduce_2D()
322 const double symprec) in delaunay_reduce_basis_2D()
355 const double symprec) in get_delaunay_shortest_vectors_2D()
|
| H A D | spglib.c | 386 const double symprec) in spg_get_symmetry()
407 const double symprec, in spgat_get_symmetry()
628 const double symprec) in spg_get_multiplicity()
660 const double symprec) in spg_get_international()
695 const double symprec) in spg_get_schoenflies()
712 const double symprec, in spgat_get_schoenflies()
829 const double symprec) in spg_standardize_cell()
896 const double symprec) in spg_find_primitive()
911 const double symprec, in spgat_find_primitive()
927 const double symprec) in spg_refine_cell()
[all …]
|
| H A D | symmetry.c | 190 const double symprec, in sym_get_operation()
202 const double symprec, in sym_reduce_operation()
210 const double symprec) in sym_get_pure_translation()
242 const double symprec, in sym_reduce_pure_translation()
300 const double symprec, in get_operations()
329 const double symprec, in reduce_operation()
405 const double symprec, in get_translation()
477 const double symprec, in search_translation_part()
596 const double symprec, in is_overlap_all_atoms()
664 const double symprec) in get_space_group_operations()
[all …]
|
| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | delaunay.c | 68 const double symprec) in del_delaunay_reduce()
78 const double symprec) in del_delaunay_reduce_2D()
89 const double symprec) in delaunay_reduce()
138 const double symprec) in get_delaunay_shortest_vectors()
189 const double symprec) in delaunay_reduce_basis()
239 const double symprec) in delaunay_reduce_2D()
308 const double symprec) in delaunay_reduce_basis_2D()
341 const double symprec) in get_delaunay_shortest_vectors_2D()
|
| H A D | spglib.c | 356 const double symprec) in spg_get_symmetry()
377 const double symprec, in spgat_get_symmetry()
478 const double symprec) in spg_get_multiplicity()
510 const double symprec) in spg_get_international()
545 const double symprec) in spg_get_schoenflies()
562 const double symprec, in spgat_get_schoenflies()
679 const double symprec) in spg_standardize_cell()
746 const double symprec) in spg_find_primitive()
761 const double symprec, in spgat_find_primitive()
777 const double symprec) in spg_refine_cell()
[all …]
|
| H A D | symmetry.c | 184 const double symprec, in sym_get_operation()
196 const double symprec, in sym_reduce_operation()
204 const double symprec) in sym_get_pure_translation()
235 const double symprec, in sym_reduce_pure_translation()
293 const double symprec, in get_operations()
322 const double symprec, in reduce_operation()
392 const double symprec, in get_translation()
521 const double symprec, in search_translation_part()
553 const double symprec, in is_overlap_all_atoms()
645 const double symprec) in get_space_group_operations()
[all …]
|
| /dports/science/py-phono3py/phono3py-1.22.3/phono3py/phonon3/ |
| H A D | displacement_fc3.py | 220 symprec, argument
250 def get_reduced_site_symmetry(site_sym, direction, symprec=1e-5): argument
263 symprec=1e-5): argument
282 def get_least_orbits(atom_index, cell, site_symmetry, symprec=1e-5): argument
298 symprec): argument
307 def _get_orbits(atom_index, cell, site_symmetry, symprec=1e-5): argument
|
| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/spglib/ |
| H A D | spglib.py | 47 def get_symmetry(cell, symprec=1e-5, angle_tolerance=-1.0): argument
119 symprec=1e-5, argument
218 def get_spacegroup(cell, symprec=1e-5, angle_tolerance=-1.0, symbol_type=0): argument
237 def get_hall_number_from_symmetry(rotations, translations, symprec=1e-5): argument
323 symprec=1e-5, argument
370 def refine_cell(cell, symprec=1e-5, angle_tolerance=-1.0): argument
404 def find_primitive(cell, symprec=1e-5, angle_tolerance=-1.0): argument
468 symprec=1e-5): argument
|
| /dports/science/py-phonopy/phonopy-2.11.0/phonopy/structure/ |
| H A D | cells.py | 54 symprec=1e-5, argument
133 symprec=1e-5): argument
411 symprec=1e-5, argument
682 symprec=1e-5): argument
783 symprec): argument
840 symprec): argument
901 symprec=1e-5): argument
942 symprec=1e-5): argument
1167 symprec): argument
1273 symprec): argument
[all …]
|
| /dports/science/phonopy/phonopy-2.11.0/phonopy/structure/ |
| H A D | cells.py | 54 symprec=1e-5, argument
133 symprec=1e-5): argument
411 symprec=1e-5, argument
682 symprec=1e-5): argument
783 symprec): argument
840 symprec): argument
901 symprec=1e-5): argument
942 symprec=1e-5): argument
1167 symprec): argument
1273 symprec): argument
[all …]
|
| /dports/science/spglib/spglib-1.16.2/python/spglib/ |
| H A D | spglib.py | 52 symprec=1e-5, argument
169 symprec=1e-5, argument
307 def get_spacegroup(cell, symprec=1e-5, angle_tolerance=-1.0, symbol_type=0): argument
327 def get_hall_number_from_symmetry(rotations, translations, symprec=1e-5): argument
418 symprec=1e-5, argument
466 def refine_cell(cell, symprec=1e-5, angle_tolerance=-1.0): argument
501 def find_primitive(cell, symprec=1e-5, angle_tolerance=-1.0): argument
567 symprec=1e-5, argument
|
| /dports/science/py-spglib/spglib-1.16.2/python/spglib/ |
| H A D | spglib.py | 52 symprec=1e-5, argument
169 symprec=1e-5, argument
307 def get_spacegroup(cell, symprec=1e-5, angle_tolerance=-1.0, symbol_type=0): argument
327 def get_hall_number_from_symmetry(rotations, translations, symprec=1e-5): argument
418 symprec=1e-5, argument
466 def refine_cell(cell, symprec=1e-5, angle_tolerance=-1.0): argument
501 def find_primitive(cell, symprec=1e-5, angle_tolerance=-1.0): argument
567 symprec=1e-5, argument
|
| /dports/science/py-hiphive/hiphive-0.7.1/hiphive/input_output/ |
| H A D | shengBTE.py | 13 def read_shengBTE_fc3(filename, prim, supercell, symprec=1e-5): argument
42 def write_shengBTE_fc3(filename, fcs, prim, symprec=1e-5, cutoff=np.inf, argument
175 def _fcs_to_sheng(fcs, prim, symprec, cutoff, fc_tol): argument
234 def _sheng_to_fcs(sheng, prim, supercell, symprec): argument
|