Tags: romerogroup/pyprocar
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fix(docs): Update documentation link for Read the Docs This commit modifies the documentation link in the README file to point to the updated Read the Docs URL. The change aims to ensure users have access to the latest documentation resources, improving the overall utility and accessibility of the project documentation.
feat(fermisurface): Add band indices validation Implemented a validation function for band indices to ensure they are provided in the correct format. This change improves error handling when selecting bands for spin calculations. Additionally, added logging to inform users about the band indices near the iso-surface during energy searches
fix(vasp): Handle missing symmetry operations gracefully Updated the `get_symmetry_operations` method to return None when no space group operations are found, improving error handling. Added a check in the `get_rotations` method to return None if symmetry operations are not available. This change ensures that the methods handle missing data more consistently and reduces potential errors in downstream processing.
chore: update workflow for releases Removed the addition of _version.py from the commit message to reflect the actual changes made. _version.py is automatically generated on install of the packages. setuptools-scm should automatically handle versioning based on git tags
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