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v2.6.1

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@wangenau wangenau released this 04 Oct 11:27
· 487 commits to main since this release
650b5a1
  • New features
    • Add a Cell generation function
    • Add k-point generation functionalities
    • Add support to handle trajectory files
  • Updated docs
    • Add a FOD optimization and a reduced density gradient example
    • Add references to data
  • Miscellaneous
    • Breaking:
      • Rename X to pos in Atoms
      • Merge R into a in Atoms
    • Indicate Python 3.12 support
    • Support viewing multiple files
    • Support non-cubic cells in Atoms, io, and viewer functions
    • Support viewing multiple files
    • Fix Nix flake