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Add a test for get_spacegroup, update for modern spglib #6

Merged
merged 4 commits into from
May 28, 2024
Merged

Add a test for get_spacegroup, update for modern spglib #6

merged 4 commits into from
May 28, 2024

Commits on May 28, 2024

  1. Add a test for get_spacegroup 

    Currently failing due to incompatibility with modern spglib
    @ajjackson
    ajjackson committed May 28, 2024
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  2. Fix get_spacegroup call to spglib 

    spglib no longer takes ASE Atoms as input, use generic "cell" tuple
    @ajjackson
    ajjackson committed May 28, 2024
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  3. Modernise get_spacegroup: type annotation, better typing

    @ajjackson
    ajjackson committed May 28, 2024
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  4. Linting, avoid using built-in names, consistent quotes

    @ajjackson
    ajjackson committed May 28, 2024
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