Migrate spglib to new SpglibDataset format with version 2.5.0
#3923
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DanielYang59
commented
Jul 16, 2024
DanielYang59
changed the title
spglib to new data formatspglib to new SpglibDataset format with version 2.5.0
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@kaueltzen Is everything looking good to you? |
janosh
approved these changes
Jul 16, 2024
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thanks a lot @DanielYang59! 👍 those deprecation warnings were spamming my logs
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Thanks for reviewing. @janosh For some reason all tests in windows are failing? Doesn't looks like owing to this PR and still need to find out why I guess |
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Summary
spglibto new data format as pointed out by @kaueltzen, to fix Adapt pymatgen.symmetry.analyzer to new spglib (>=2.5.0) output data format #3922SpacegroupAnalyzerandPointGroupAnalyzer