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v0.4.5
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@github-actions github-actions released this 08 Aug 17:03
v0.4.5
4aedda6

Changes

  • Removed the need of passing a density to the calculate_bader_volume_radius function.
  • Changed the name of calculate_bader_volume_radius to calculate_bader_volumes_and_radii.
  • Changed AtomVoxelMap to VoxelMap as there are no longer two VoxelMap variants.
  • removed the VoxelMap triat.
  • Changed the name of VoxelMap.boundary_iter() to VoxelMap.weight_iter().
  • Added VoxelMap.maxima_len() and VoxelMap.weight_len().
  • Removed anyhow for the error management.
  • Changed the return of invert_lattice to Option as there is only one way it can fail.
Assets 6