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v1.0.2

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@bobleesj bobleesj released this 10 Jul 01:47
· 49 commits to main since this release

[1.0.2] - 2024-07-09

Added

  • initializing progress statement for CifEnsemble to enhance user experience (#12)
  • print option for compute_connections in CifEnsemble (#13)
  • preprocessing option for CifEnsemble to handle input data more flexibly (#15)

Fixed

  • error computing polyhedron metrics: index 4 is out of bounds for axis 0 with size 4 (#10)
  • warning for using categorical units to plot a list of strings for histogram generation (#11)
  • misclassification issue during preprocessing: do not move to 'others' folder if elements do not belong to Mendeleev table (#14)

What's Changed

  • Fix polyhedron error, improve UX for CifEnsemble, fix histogram label by @bobleesj in #17

Full Changelog: 1.0.1...1.0.2