| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/test/ |
| H A D | test_spglib.py | 4 get_spacegroup_type, get_symmetry, standardize_cell)
87 std_cell = standardize_cell(cell,
93 std_cell = standardize_cell(cell,
106 prim_cell = standardize_cell(cell,
110 std_cell = standardize_cell(prim_cell,
116 prim_cell = standardize_cell(cell,
120 std_cell = standardize_cell(prim_cell,
133 prim_cell = standardize_cell(cell,
139 prim_cell = standardize_cell(cell,
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| /dports/science/py-spglib/spglib-1.16.2/python/examples/ |
| H A D | example.py | 206 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
216 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
226 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
236 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
|
| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/examples/ |
| H A D | example.py | 206 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
216 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
226 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
236 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
|
| /dports/science/spglib/spglib-1.16.2/python/examples/ |
| H A D | example.py | 206 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
216 lattice, positions, numbers = spglib.standardize_cell(rutile_dist,
226 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
236 lattice, positions, numbers = spglib.standardize_cell(silicon_dist,
|
| /dports/science/py-spglib/spglib-1.16.2/python/test/ |
| H A D | test_spglib.py | 3 get_spacegroup_type, standardize_cell,
122 std_cell = standardize_cell(cell,
144 prim_cell = standardize_cell(cell,
148 std_cell = standardize_cell(prim_cell,
164 prim_cell = standardize_cell(cell,
|
| /dports/science/spglib/spglib-1.16.2/python/test/ |
| H A D | test_spglib.py | 3 get_spacegroup_type, standardize_cell,
122 std_cell = standardize_cell(cell,
144 prim_cell = standardize_cell(cell,
148 std_cell = standardize_cell(prim_cell,
164 prim_cell = standardize_cell(cell,
|
| /dports/science/py-spglib/spglib-1.16.2/python/spglib/ |
| H A D | __init__.py | 42 standardize_cell,
|
| H A D | spglib.py | 415 def standardize_cell(cell, function
448 num_atom_std = spg.standardize_cell(lattice,
|
| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/python/spglib/ |
| H A D | __init__.py | 42 standardize_cell,
|
| H A D | spglib.py | 320 def standardize_cell(cell, function
353 num_atom_std = spg.standardize_cell(lattice,
|
| /dports/science/spglib/spglib-1.16.2/python/spglib/ |
| H A D | __init__.py | 42 standardize_cell,
|
| H A D | spglib.py | 415 def standardize_cell(cell, function
448 num_atom_std = spg.standardize_cell(lattice,
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| /dports/science/gabedit/GabeditSrc251_300720/spglib/ |
| H A D | spglib.c | 128 static int standardize_cell(double lattice[3][3],
729 return standardize_cell(lattice, in spgat_standardize_cell()
778 return standardize_cell(lattice, in spg_refine_cell()
795 return standardize_cell(lattice, in spgat_refine_cell()
1558 static int standardize_cell(double lattice[3][3], in standardize_cell() function
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| /dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
| H A D | spglib.c | 131 static int standardize_cell(double lattice[3][3],
730 return standardize_cell(lattice, in spgat_standardize_cell()
779 return standardize_cell(lattice, in spg_refine_cell()
796 return standardize_cell(lattice, in spgat_refine_cell()
1554 static int standardize_cell(double lattice[3][3], in standardize_cell() function
|
| /dports/science/py-spglib/spglib-1.16.2/src/ |
| H A D | spglib.c | 134 static int standardize_cell(double lattice[3][3],
880 return standardize_cell(lattice, in spgat_standardize_cell()
929 return standardize_cell(lattice, in spg_refine_cell()
946 return standardize_cell(lattice, in spgat_refine_cell()
1804 static int standardize_cell(double lattice[3][3], in standardize_cell() function
|
| /dports/science/spglib/spglib-1.16.2/src/ |
| H A D | spglib.c | 134 static int standardize_cell(double lattice[3][3],
880 return standardize_cell(lattice, in spgat_standardize_cell()
929 return standardize_cell(lattice, in spg_refine_cell()
946 return standardize_cell(lattice, in spgat_refine_cell()
1804 static int standardize_cell(double lattice[3][3], in standardize_cell() function
|
| /dports/science/py-hiphive/hiphive-0.7.1/hiphive/core/ |
| H A D | structure_alignment.py | 210 spg_primitive_cell = spg.standardize_cell(atoms, to_primitive=True,
|
| H A D | debug.py | 60 spg_prim = spg.standardize_cell(cs.primitive_structure, no_idealize=True,
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| H A D | cluster_space_builder.py | 139 spgPrim = spg.standardize_cell(prototype_structure, no_idealize=True,
|
| /dports/science/py-spglib/spglib-1.16.2/doc/ |
| H A D | python-spglib.rst | 327 ``standardize_cell``.
344 ``standardize_cell``.
346 ``standardize_cell``
353 …lattice, scaled_positions, numbers = standardize_cell(bulk, to_primitive=False, no_idealize=False,…
|
| H A D | definition.rst | 739 ``standardize_cell`` as shown below::
756 primitive_cell = spglib.standardize_cell(cell, to_primitive=1, no_idealize=1)
766 ``standardize_cell``, distortion is not removed for the distorted
|
| /dports/science/spglib/spglib-1.16.2/doc/ |
| H A D | python-spglib.rst | 327 ``standardize_cell``.
344 ``standardize_cell``.
346 ``standardize_cell``
353 …lattice, scaled_positions, numbers = standardize_cell(bulk, to_primitive=False, no_idealize=False,…
|
| H A D | definition.rst | 739 ``standardize_cell`` as shown below::
756 primitive_cell = spglib.standardize_cell(cell, to_primitive=1, no_idealize=1)
766 ``standardize_cell``, distortion is not removed for the distorted
|
| /dports/science/py-ase/ase-3.22.0/ase/utils/ |
| H A D | structure_comparator.py | 609 cell, scaled_pos, numbers = spglib.standardize_cell(
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| /dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
| H A D | BuildCrystal.c | 1736 void standardize_cell(gint to_primitive, gint no_idealize, gdouble symprec) in standardize_cell() function
1767 standardize_cell(to_primitive, no_idealize, symprec); in standardize_cell_primitive()
1775 standardize_cell(to_primitive, no_idealize, symprec); in standardize_cell_conventional()
|