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Releases: WMD-group/PyTASER

2.3.0

07 Feb 23:46
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  • Updates to plotting (cleaner plots and titles to include scientific notation)
  • Updated documentation and tutorial workflows (according to JOSS review suggestions <https://github.com/openjournals/joss-reviews/issues/5999>_ ).
  • Add GH Actions linting workflow
  • Update installation and setup instructions (remove redundant setup.py issues).

2.2.0

20 Oct 09:05
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  • Initial version of differential absorption spectra (DAS) functionality from @LucasGVerga.
  • Updates to GitHub Actions tests (now tests macos, ubuntu and windows).

2.1.4

02 Oct 17:07
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mapi_example

20 Sep 14:00
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mapi_example Pre-release
Pre-release
Repo polish 🧽

2.1.3

01 Sep 17:31
6fcc468
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  • Change of np.arange to np.linspace to avoid e_grid arrays with sizes different from NEDOS. (see the warning on numpy.arange documentation)

2.1.2

23 Aug 16:19
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  • Remove broken links from docs

2.1.1

23 Aug 16:04
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  • Remove broken link from docs

2.1.0

23 Aug 12:52
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  • Add bg option to TASGenerator.from_vasp_outputs() to allow scissor shifting of the bandgap to match experiment.
  • Implement vectorised band filtering functions, massive speedup in processing times.
  • Implement memory sharing for large arrays within multiprocessing.

2.0.1

20 Jul 14:57
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  • Minor documentation and website updates.

2.0.0

18 Jul 16:32
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  • Reduce the sum over band transitions to the energy mesh (min(-6, -energy_max), max(6, energy_max)) to
    make parsing of VASP optics more efficient.
  • Switch to semantic versioning.