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Bandstructure path name changes and Kpoint from_dict #2144

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merged 5 commits into from May 21, 2021

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munrojm
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@munrojm munrojm commented May 17, 2021

Summary

  • Path type names in HighSymmKpath changed from short form ('sc', 'hin', and 'lm') to long form ('setyawan_curtarolo', 'hinuma', 'latimer_munro').
  • Proper from_dict method added to Kpoint class in from pymatgen.electronic_structure.bandstructure.

Checklist

  • Code is in the standard Python style. The easiest way to handle this
    is to run the following in the correct sequence on your local machine. Start with running
    black on your new code. This will automatically reformat
    your code to PEP8 conventions and removes most issues. Then run
    pycodestyle, followed by
    flake8.
  • Docstrings have been added in the Google docstring format.
    Run pydocstyle on your code.
  • Type annotations are highly encouraged. Run mypy to type check your code.
  • Tests have been added for any new functionality or bug fixes.
  • All linting and tests pass.

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coveralls commented May 17, 2021

Coverage Status

Coverage decreased (-0.6%) to 82.996% when pulling 8558392 on munrojm:bandstructure_fixes into 37d8c1e on materialsproject:master.

@munrojm munrojm changed the title [WIP] Bandstructure path name changes and Kpoint from_dict Bandstructure path name changes and Kpoint from_dict May 21, 2021
@shyuep shyuep merged commit c9431be into materialsproject:master May 21, 2021
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shyuep commented May 21, 2021

Thanks.

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3 participants