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v2.7.0

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@wangenau wangenau released this 19 Jan 17:53
· 293 commits to main since this release
fa5da65
  • New features
    • Add k-points!
      • Add k-point dependent calculations
      • Add a k-points object
      • Add a band structure, k-point, and Brillouin zone viewer
      • Add minimization functions for fixed Hamiltonians
    • Add a symmetry extra to symmetrize k-points
  • Updated docs
    • Add k-point examples
    • Increase coverage precision
  • Coding style
    • Activate several Ruff rules
    • Lint check notebooks
    • Rewrite operator handling
    • Add a lot of new tests
  • Miscellaneous
    • Add a contour line viewer
    • Plot lattice vectors in the view_atoms function
    • Add a NixOS CI test
    • Add a Nix lock file
    • Use Python 3.12 as the CI base image
    • Move Matplotlib to dev extras
    • Unpin the notebook version
    • Small performance improvements, e.g, in Atoms object creation
  • Experimental
    • Smearing functionalities
    • Density of states function