PyPI 官网下载 | spglib-1.10.4.11.tar.gz

MANIFEST.in README.rst __nanoversion__.txt _spglib.c setup.py examples/atoms.py examples/example.py spglib/__init__.py spglib/spglib.py spglib.egg-info/PKG-INFO spglib.egg-info/SOURCES.txt spglib.egg-info/dependency_links.txt spglib.egg-info/requires.txt spglib.egg-info/top_level.txt src/arithmetic.c src/arithmetic.h src/cell.c src/cell.h src/debug.c src/debug.h src/delaunay.c src/delaunay.h src/determination.c src/determination.h src/hall_symbol.c src/hall_symbol.h src/kgrid.c src/kgrid.h src/kpoint.c src/kpoint.h src/mathfunc.c src/mathfunc.h src/niggli.c src/niggli.h src/overlap.c src/overlap.h src/pointgroup.c src/pointgroup.h src/primitive.c src/primitive.h src/refinement.c src/refinement.h src/site_symmetry.c src/site_symmetry.h src/sitesym_database.c src/sitesym_database.h src/spacegroup.c src/spacegroup.h src/spg_database.c src/spg_database.h src/spglib.c src/spglib.h src/spglib_f.c src/spin.c src/spin.h src/symmetry.c src/symmetry.h src/test.c src/tetrahedron_method.c src/tetrahedron_method.h src/version.h test/delaunay_lattices.dat test/lattices.dat test/niggli_lattices.dat test/test_collinear_spin.py test/test_hall_number_from_symmetry.py test/test_niggli_delaunay.py test/test_pure_trans.py test/test_reciprocal_mesh.py test/test_spglib.py test/vasp.py test/data/cubic/POSCAR-195 test/data/cubic/POSCAR-195-2 test/data/cubic/POSCAR-196 test/data/cubic/POSCAR-196-2 test/data/cubic/POSCAR-197 test/data/cubic/POSCAR-197-2 test/data/cubic/POSCAR-198 test/data/cubic/POSCAR-198-2 test/data/cubic/POSCAR-199 test/data/cubic/POSCAR-199-2 test/data/cubic/POSCAR-200 test/data/cubic/POSCAR-200-2 test/data/cubic/POSCAR-205 test/data/cubic/POSCAR-205-3 test/data/cubic/POSCAR-206 test/data/cubic/POSCAR-206-2 test/data/cubic/POSCAR-207 test/data/cubic/POSCAR-208 test/data/cubic/POSCAR-208-2 test/data/cubic/POSCAR-209 test/data/cubic/POSCAR-210 test/data/cubic/POSCAR-210-2 test/data/cubic/POSCAR-211 test/data/cubic/POSCAR-212 test/data/cubic/POSCAR-212-2 test/data/cubic/POSCAR-213 test/data/cubic/POSCAR-213-2 test/data/cubic/POSCAR-214 test/data/cubic/POSCAR-214-2 test/data/cubic/POSCAR-215 test/data/cubic/POSCAR-215-2 test/data/cubic/POSCAR-216 test/data/cubic/POSCAR-216-2 test/data/cubic/POSCAR-217 test/data/cubic/POSCAR-217-2 test/data/cubic/POSCAR-218 test/data/cubic/POSCAR-218-2 test/data/cubic/POSCAR-219 test/data/cubic/POSCAR-219-2 test/data/cubic/POSCAR-220 test/data/cubic/POSCAR-220-2 test/data/cubic/POSCAR-221 test/data/cubic/POSCAR-221-2 test/data/cubic/POSCAR-222 test/data/cubic/POSCAR-222-2 test/data/cubic/POSCAR-223 test/data/cubic/POSCAR-223-2 test/data/cubic/POSCAR-224 test/data/cubic/POSCAR-224-2 test/data/cubic/POSCAR-225 test/data/cubic/POSCAR-225-2 test/data/cubic/POSCAR-226 test/data/cubic/POSCAR-226-2 test/data/cubic/POSCAR-227 test/data/cubic/POSCAR-227-2 test/data/cubic/POSCAR-228 test/data/cubic/POSCAR-228-2 test/data/cubic/POSCAR-229 test/data/cubic/POSCAR-229-2 test/data/cubic/POSCAR-230 test/data/cubic/POSCAR-230-2 test/data/cubic/POSCAR-230-3 test/data/cubic/POSCAR-230-4 test/data/distorted/POSCAR-161-1 test/data/distorted/POSCAR-161-2 test/data/distorted/POSCAR-36 test/data/distorted/POSCAR-5 test/data/distorted/POSCAR-6 test/data/distorted/POSCAR-7-1 test/data/distorted/POSCAR-7-2 test/data/distorted/POSCAR-8 test/data/hexagonal/POSCAR-168 test/data/hexagonal/POSCAR-169 test/data/hexagonal/POSCAR-169-2 test/data/hexagonal/POSCAR-170 test/data/hexagonal/POSCAR-170-2 test/data/hexagonal/POSCAR-171 test/data/hexagonal/POSCAR-171-2 test/data/hexagonal/POSCAR-172 test/data/hexagonal/POSCAR-173 test/data/hexagonal/POSCAR-173-2 test/data/hexagonal/POSCAR-174 test/data/hexagonal/POSCAR-174-2 test/data/hexagonal/POSCAR-175 test/data/hexagonal/POSCAR-175-2 test/data/hexagonal/POSCAR-176 test/data/hexagonal/POSCAR-176-2 test/data/hexagonal/POSCAR-177 test/data/hexagonal/POSCAR-179 test/data/hexagonal/POSCAR-179-2 test/data/hexagonal/POSCAR-180 test/data/hexagonal/POSCAR-180-2 test/data/hexagonal/POSCAR-181 test/data/hexagonal/POSCAR-181-2 test/data/hexagonal/POSCAR-182 test/data/hexagonal/POSCAR-182-2 test/data/hexagonal/POSCAR-183 test/data/hexagonal/POSCAR-183-2 test/data/hexagonal/POSCAR-184 test/data/hexagonal/POSCAR-184-2 test/data/hexagonal/POSCAR-185 test/data/hexagonal/POSCAR-185-2 test/data/hexagonal/POSCAR-186 test/data/hexagonal/POSCAR-186-2 test/data/hexagonal/POSCAR-187 test/data/hexagonal/POSCAR-187-2 test/data/hexagonal/POSCAR-188 test/data/hexagonal/POSCAR-188-2 test/data/hexagonal/POSCAR-189 test/data/hexagonal/POSCAR-189-2 test/data/hexagonal/POSCAR-190 test/data/hexagonal/POSCAR-190-2 test/data/hexagonal/POSCAR-191 test/data/hexagonal/POSCAR-191-2 test/data/hexagonal/POSCAR-192 test/data/hexagonal/POSCAR-192-2 test/data/hexagonal/POSCAR-193 test/data/hexagonal/POSCAR-193-2 test/data/hexagonal/POSCAR-194 test/data/hexagonal/POSCAR-194-2 test/data/monoclinic/POSCAR-003 test/data/monoclinic/POSCAR-004 test/data/monoclinic/POSCAR-004-2 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test/data/orthorhombic/POSCAR-018-2 test/data/orthorhombic/POSCAR-019 test/data/orthorhombic/POSCAR-019-2 test/data/orthorhombic/POSCAR-020 test/data/orthorhombic/POSCAR-021 test/data/orthorhombic/POSCAR-021-2 test/data/orthorhombic/POSCAR-022 test/data/orthorhombic/POSCAR-023 test/data/orthorhombic/POSCAR-023-2 test/data/orthorhombic/POSCAR-024 test/data/orthorhombic/POSCAR-024-2 test/data/orthorhombic/POSCAR-025 test/data/orthorhombic/POSCAR-025-2 test/data/orthorhombic/POSCAR-026 test/data/orthorhombic/POSCAR-026-2 test/data/orthorhombic/POSCAR-027 test/data/orthorhombic/POSCAR-027-2 test/data/orthorhombic/POSCAR-028 test/data/orthorhombic/POSCAR-028-2 test/data/orthorhombic/POSCAR-029 test/data/orthorhombic/POSCAR-029-2 test/data/orthorhombic/POSCAR-030 test/data/orthorhombic/POSCAR-030-2 test/data/orthorhombic/POSCAR-031 test/data/orthorhombic/POSCAR-031-2 test/data/orthorhombic/POSCAR-032 test/data/orthorhombic/POSCAR-032-2 test/data/orthorhombic/POSCAR-033 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