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Releases: easyscience/diffraction-lib

easydiffraction 0.13.0

13 Apr 15:49
2669c3f

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Added

  • Add Gauss/Lorentz model switch to Becker-Coppens extinction (#149)
  • Add initial support for anisotropic ADPs (#152)

Fixed

  • Fix peak profile function and parameter names (#150)

Changed

  • Enable more linting rules and adjust the code (#148)
  • Improve minimization functionality (#151)

easydiffraction 0.12.0

09 Apr 10:59
13c3294

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Added

  • Add parallelism to sequential fitting (#141)
  • Implement loading project from CIF directory (#142)
  • Add more pycrysfml integration (#143)
  • Add fit functionality to command line interface (#145)
  • Add parameter correlations table/plot (#146)

Fixed

  • Fix asymmetry and save/restore peak profile type in experiment CIF (#144)

Changed

  • Enable additional Ruff rule sets and raise Python support to 3.12-3.14 (#139)
  • Accept single Experiment in Fitter.fit() (#140)

easydiffraction 0.11.1

31 Mar 21:22
84f32ae

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Fixed

  • Fix missing install step in notebooks for documentation (Colab support) (#135)

easydiffraction 0.11.0

31 Mar 09:25
2f1a707

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Added

  • Add single-crystal diffraction support via cryspy (#127)
  • Improve joint-fit support and add parameter-evolution plotting (#130)
  • Add output verbosity control (#131)

Changed

  • Restructure datablocks, unify factory system, and standardize switchable-category API (#128)
  • Switch to the new easyscience/templates system (#129)

easydiffraction 0.10.2

11 Feb 12:52
3d9262e

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Fixed

  • Fix array size mismatch in Cryspy calculator data arrays (#124)

Changed

  • Extend initial scipp-analysis integration test suite for DREAM (#124)

easydiffraction 0.10.1

06 Jan 13:51
9d6ca85

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Changed

  • Vendor jupyter-dark-detect to simplify conda-forge packaging (#121)
  • Bump dependencies to latest compatible versions (#123)

easydiffraction 0.10.0

30 Dec 22:23
8d9ad30

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Added

  • Decouple fitting from results and add show_fit_results API (#118)

Changed

  • Improve CI workflows and fix documentation deployment (#117)

easydiffraction 0.9.1

25 Dec 11:16
41f5069

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Fixed

  • Fix backmerge workflow and polish docs & tutorial output (#115)

easydiffraction 0.9.0

24 Dec 21:53
4b8c008

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Added

  • Expose tutorials via gh-pages with listing and selective download API (#112)

easydiffraction 0.8.0.post1

18 Dec 21:43
b74e251

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Changed

  • Documentation CI fixes and versioned documentation support (#110)