| /dports/science/berkeleygw/BGW-2.0.0/MeanField/spglib-1.0.9/ |
| H A D | site_symmetry.c | 30 VecDBL * ssm_get_exact_positions( int *wyckoffs, in ssm_get_exact_positions()
45 static VecDBL * get_exact_positions( int * wyckoffs, in get_exact_positions()
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| H A D | spglib.h | 70 int *wyckoffs; /* Wyckoff letters */ member
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| H A D | refinement.c | 92 void ref_get_Wyckoff_positions( int * wyckoffs, in ref_get_Wyckoff_positions()
111 int *mapping_table, *wyckoffs, *equiv_atoms; in refine_cell() local
157 static Cell * get_bravais_exact_positions_and_lattice( int * wyckoffs, in get_bravais_exact_positions_and_lattice()
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| H A D | spglib.c | 24 int *mapping_table, *wyckoffs, *equiv_atoms, *equiv_atoms_prim; in spg_get_dataset() local
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| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | refinement.h | 45 int *wyckoffs; member
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| H A D | site_symmetry.c | 78 VecDBL * ssm_get_exact_positions(int *wyckoffs, in ssm_get_exact_positions()
274 static int set_Wyckoffs_labels(int *wyckoffs, in set_Wyckoffs_labels()
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| H A D | refinement.c | 158 int *std_mapping_to_primitive, *wyckoffs, *equivalent_atoms; in ref_get_exact_structure_and_symmetry() local
270 static Cell * get_Wyckoff_positions(int * wyckoffs, in get_Wyckoff_positions()
360 get_bravais_exact_positions_and_lattice(int * wyckoffs, in get_bravais_exact_positions_and_lattice()
460 static Cell * expand_positions_in_bravais(int * wyckoffs, in expand_positions_in_bravais()
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| H A D | spglib.h | 121 int *wyckoffs; member
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| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | refinement.h | 45 int *wyckoffs; member
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| H A D | site_symmetry.c | 82 VecDBL * ssm_get_exact_positions(int *wyckoffs, in ssm_get_exact_positions()
284 static int set_Wyckoffs_labels(int *wyckoffs, in set_Wyckoffs_labels()
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| H A D | refinement.c | 172 int *std_mapping_to_primitive, *wyckoffs, *equivalent_atoms; in ref_get_exact_structure_and_symmetry() local
333 static Cell * get_Wyckoff_positions(int * wyckoffs, in get_Wyckoff_positions()
456 get_bravais_exact_positions_and_lattice(int * wyckoffs, in get_bravais_exact_positions_and_lattice()
584 static Cell * expand_positions_in_bravais(int * wyckoffs, in expand_positions_in_bravais()
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| H A D | spglib.h | 123 int *wyckoffs; member
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| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | refinement.h | 45 int *wyckoffs; member
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| H A D | site_symmetry.c | 82 VecDBL * ssm_get_exact_positions(int *wyckoffs, in ssm_get_exact_positions()
284 static int set_Wyckoffs_labels(int *wyckoffs, in set_Wyckoffs_labels()
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| H A D | refinement.c | 172 int *std_mapping_to_primitive, *wyckoffs, *equivalent_atoms; in ref_get_exact_structure_and_symmetry() local
333 static Cell * get_Wyckoff_positions(int * wyckoffs, in get_Wyckoff_positions()
456 get_bravais_exact_positions_and_lattice(int * wyckoffs, in get_bravais_exact_positions_and_lattice()
584 static Cell * expand_positions_in_bravais(int * wyckoffs, in expand_positions_in_bravais()
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| H A D | spglib.h | 123 int *wyckoffs; member
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | site_symmetry.c | 85 VecDBL * ssm_get_exact_positions(int *wyckoffs, in ssm_get_exact_positions()
322 static int set_Wyckoffs_labels(int *wyckoffs, in set_Wyckoffs_labels()
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| H A D | refinement.c | 164 Cell * ref_get_Wyckoff_positions(int * wyckoffs, in ref_get_Wyckoff_positions()
183 Cell * get_Wyckoff_positions(int * wyckoffs, in get_Wyckoff_positions()
271 get_bravais_exact_positions_and_lattice(int * wyckoffs, in get_bravais_exact_positions_and_lattice()
368 static Cell * expand_positions(int * wyckoffs, in expand_positions()
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| H A D | spglib.h | 118 int *wyckoffs; member
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/example/ |
| H A D | spglib_f08.f90 | 35 integer, allocatable :: wyckoffs(:) component
407 type(c_ptr) :: wyckoffs component
441 …integer(c_int), pointer :: rotations(:,:,:), wyckoffs(:), equivalent_atoms(:), std_types(:), std_p… local
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| /dports/science/octopus/octopus-10.5/src/ions/ |
| H A D | spglib_f08.f90 | 35 integer, allocatable :: wyckoffs(:) component
407 type(c_ptr) :: wyckoffs component
440 …integer(c_int), pointer :: rotations(:,:,:), wyckoffs(:), equivalent_atoms(:), std_types(:), std_p… local
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| /dports/science/spglib/spglib-1.16.2/fortran/ |
| H A D | spglib_f08.f90 | 48 integer(c_int), allocatable :: wyckoffs(:) component
567 type(c_ptr) :: wyckoffs component
607 integer(c_int), pointer :: rotations(:,:,:), wyckoffs(:), equivalent_atoms(:) local
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| /dports/science/py-spglib/spglib-1.16.2/fortran/ |
| H A D | spglib_f08.f90 | 48 integer(c_int), allocatable :: wyckoffs(:) component
567 type(c_ptr) :: wyckoffs component
607 integer(c_int), pointer :: rotations(:,:,:), wyckoffs(:), equivalent_atoms(:) local
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/ |
| H A D | _spglib.c | 217 PyObject *array, *vec, *mat, *rot, *trans, *wyckoffs, *equiv_atoms; in py_get_dataset() local
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| /dports/science/spglib/spglib-1.16.2/python/ |
| H A D | _spglib.c | 222 PyObject *array, *vec, *mat, *rot, *trans, *wyckoffs, *equiv_atoms; in py_get_dataset() local
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