kim-tools 0.2.0b0__py3-none-any.whl

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Files changed (24) hide show
  1. kim_tools/__init__.py +14 -0
  2. kim_tools/aflow_util/__init__.py +4 -0
  3. kim_tools/aflow_util/core.py +1782 -0
  4. kim_tools/aflow_util/data/README_PROTO.TXT +3241 -0
  5. kim_tools/ase/__init__.py +4 -0
  6. kim_tools/ase/core.py +749 -0
  7. kim_tools/kimunits.py +162 -0
  8. kim_tools/symmetry_util/__init__.py +4 -0
  9. kim_tools/symmetry_util/core.py +552 -0
  10. kim_tools/symmetry_util/data/possible_primitive_shifts.json +1 -0
  11. kim_tools/symmetry_util/data/primitive_GENPOS_ops.json +1 -0
  12. kim_tools/symmetry_util/data/space_groups_for_each_bravais_lattice.json +179 -0
  13. kim_tools/symmetry_util/data/wyck_pos_xform_under_normalizer.json +1344 -0
  14. kim_tools/symmetry_util/data/wyckoff_multiplicities.json +2193 -0
  15. kim_tools/symmetry_util/data/wyckoff_sets.json +232 -0
  16. kim_tools/test_driver/__init__.py +4 -0
  17. kim_tools/test_driver/core.py +1932 -0
  18. kim_tools/vc/__init__.py +4 -0
  19. kim_tools/vc/core.py +397 -0
  20. kim_tools-0.2.0b0.dist-info/METADATA +32 -0
  21. kim_tools-0.2.0b0.dist-info/RECORD +24 -0
  22. kim_tools-0.2.0b0.dist-info/WHEEL +5 -0
  23. kim_tools-0.2.0b0.dist-info/licenses/LICENSE.CDDL +380 -0
  24. kim_tools-0.2.0b0.dist-info/top_level.txt +1 -0
kim_tools/symmetry_util/data/primitive_GENPOS_ops.json ADDED
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