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v2024.3.1

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@janosh janosh released this 01 Mar 14:22
· 131 commits to master since this release

What's Changed

🐛 Bug Fixes

  • Fix BSPlotterProjected.get_projected_plots_dots_patom_pmorb fix set & list intersect by @janosh in #3651
  • Remove rounding during FEFF writing by @matthewcarbone in #3345
  • Fix get_niggli_reduced_lattice if entering A1 case by @packer-jp in #3657
  • Remove BadPoscarWarning when POSCAR elements set by POTCAR by @esoteric-ephemera in #3662
  • Fix RuntimeError triggered in CI of downstream packages by @janosh in #3664

🛠 Enhancements

📖 Documentation

🧹 House-Keeping

  • Use np.eye(3) instead of [[1, 0, 0], [0, 1, 0], [0, 0, 1]] for identies by @janosh in #3659

🧪 Tests

  • Deprecate _parse_atomic_densities in BaderAnalysis and fix Bader test setup by @DanielYang59 in #3656

🏷️ Type Hints

🤷‍♂️ Other Changes

New Contributors

Full Changelog: v2024.2.23...v2024.3.1