irrep 2.6.2__tar.gz → 3.0.0__tar.gz

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Files changed (27) hide show
  1. {irrep-2.6.2/irrep.egg-info → irrep-3.0.0}/PKG-INFO +1 -1
  2. irrep-3.0.0/irrep/__init__.py +2 -0
  3. {irrep-2.6.2 → irrep-3.0.0}/irrep/bandstructure.py +427 -245
  4. {irrep-2.6.2 → irrep-3.0.0}/irrep/cli.py +2 -2
  5. {irrep-2.6.2 → irrep-3.0.0}/irrep/kpoint_gpaw.py +1 -1
  6. {irrep-2.6.2 → irrep-3.0.0}/irrep/spacegroup.py +231 -187
  7. {irrep-2.6.2 → irrep-3.0.0}/irrep/utility.py +1 -1
  8. {irrep-2.6.2 → irrep-3.0.0/irrep.egg-info}/PKG-INFO +1 -1
  9. {irrep-2.6.2 → irrep-3.0.0}/irrep.egg-info/SOURCES.txt +0 -1
  10. irrep-2.6.2/irrep/__init__.py +0 -1
  11. irrep-2.6.2/irrep/readfiles.py +0 -1312
  12. {irrep-2.6.2 → irrep-3.0.0}/LICENSE +0 -0
  13. {irrep-2.6.2 → irrep-3.0.0}/MANIFEST.in +0 -0
  14. {irrep-2.6.2 → irrep-3.0.0}/README.md +0 -0
  15. {irrep-2.6.2 → irrep-3.0.0}/irrep/data/msg_numbers.data +0 -0
  16. {irrep-2.6.2 → irrep-3.0.0}/irrep/ebrs.py +0 -0
  17. {irrep-2.6.2 → irrep-3.0.0}/irrep/gvectors.py +0 -0
  18. {irrep-2.6.2 → irrep-3.0.0}/irrep/kpoint.py +0 -0
  19. {irrep-2.6.2 → irrep-3.0.0}/irrep/or_solutions_obtainer.py +0 -0
  20. {irrep-2.6.2 → irrep-3.0.0}/irrep/spacegroup_irreps.py +0 -0
  21. {irrep-2.6.2 → irrep-3.0.0}/irrep/symmetry_operation.py +0 -0
  22. {irrep-2.6.2 → irrep-3.0.0}/irrep.egg-info/dependency_links.txt +0 -0
  23. {irrep-2.6.2 → irrep-3.0.0}/irrep.egg-info/entry_points.txt +0 -0
  24. {irrep-2.6.2 → irrep-3.0.0}/irrep.egg-info/requires.txt +0 -0
  25. {irrep-2.6.2 → irrep-3.0.0}/irrep.egg-info/top_level.txt +0 -0
  26. {irrep-2.6.2 → irrep-3.0.0}/pyproject.toml +0 -0
  27. {irrep-2.6.2 → irrep-3.0.0}/setup.cfg +0 -0
{irrep-2.6.2/irrep.egg-info → irrep-3.0.0}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: irrep
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- Version: 2.6.2
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+ Version: 3.0.0
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  Summary: A tool to get symmetry proberties of ab-initio wavefunctions, irreduible representations and more.
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  Author-email: "Stepan S. Tsirkin" <stepan.tsirkin@ehu.eus>
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  License: GNU General Public License v3 (GPLv3)
irrep-3.0.0/irrep/__init__.py ADDED
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+ __version__ = "3.0.0"
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+ from .parsers.parse_files_bandstructure import parse_files as parse_bandstructure