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Releases: FAIRmat-NFDI/matid

v2.2.0

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@lauri-codes lauri-codes released this 06 Jul 06:09
v2.2.0

v2.1.6

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@lauri-codes lauri-codes released this 26 Aug 06:12
3782477

Added

  • Added wheels for Python 3.13 and 3.14

Full Changelog: v2.1.5...v2.1.6

v2.1.5

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@lauri-codes lauri-codes released this 21 Feb 21:47
642d3ca

Fixed

  • Fixed issue with character escaping in docstring

Added

  • Added support for numpy>=2.0.0
  • Added support for spglib>=2.0.0

Full Changelog: v2.1.4...v2.1.5

v2.1.4

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@lauri-codes lauri-codes released this 21 Oct 19:44
65c2ef0

Fixed

  • Fixed issue with pybind11 class name collision.

Full Changelog: v2.1.3...v2.1.4

v2.1.3

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@lauri-codes lauri-codes released this 21 Oct 19:43

Fixed

  • Fixed issue with SBC not correctly taking overlap threshold into consideration when validating unit cells.

Full Changelog: v2.1.2...v2.1.3

v2.1.2

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@lauri-codes lauri-codes released this 28 Aug 07:21

Changed

  • Removed scipy dependency
  • Improved startup time by moving sklearn import to the function that uses it

Full Changelog: v2.1.1...v2.1.2

v2.1.1

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@lauri-codes lauri-codes released this 23 Aug 10:13
babfea7

Fixed

  • Fixed issue with SBC sometimes returning small, unmeaningful clusters.

Full Changelog: v2.1.0...v2.1.1

v2.1.0

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@lauri-codes lauri-codes released this 30 Jul 16:10

Fixed

  • Better error handling in case of invalid unit cells

Changed

  • Performance and memory consumption improvements

Full Changelog: v2.0.1...v2.1.0