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v2.0a12

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@bpuchala bpuchala released this 10 Dec 17:27
· 68 commits to main since this release
v2.0a12
f6efd8b

[2.0a12] - 2024-12-10

Fixed

  • Fixed xtal::Lattice::_generate_voronoi_table(). The acute angle test resulted in the FCC lattice missing a row for the normal that lies along a conventional unit cell lattice vector, so voronoi number was 4 instead of 5 for the octahedral interstitial coordinate).

Added

  • Added Lattice.voronoi_table, Lattice.voronoi_number, and Lattice.voronoi_inner_radius.

Changed

  • Build macos x86_64 wheels with macos-13 Github Actions runner
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