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0.1.1-alpha
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@wolearyc wolearyc released this 08 Aug 03:23
· 135 commits to main since this release
v0.1.1-alpha
f8a18eb

This release focused largely on improving code reliability, documentation, and performance.

  • Added more thorough exception handling, including better argument type and value validation. This should make the API much more pleasant to use.
  • Added additional tests to to cover exception cases.
  • Implemented faster algorithm for determining permutation matrices associated with symmetry operations. These matrices are essential to determining symmetrically equivalent displacements. Algorithm went from O(n^2) to O(nlog(n)), and initializing symmetries is now extremely fast.
  • Documentation has been greatly improved. Added introduction, basic tutorial (based on Jupyter notebook), and developer guide. Also tweaked code documentation to improve consistency and readability.

Full Changelog: v0.1.0-alpha...v0.1.1-alpha

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