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Treatment for spglib v2.5.0 DeprecationWarning #105

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@atztogo atztogo commented Sep 10, 2024

From spglib v2.5.0, spglib.get_symmetry_dataset() and spglib.get_spacegroup_type() return kinds of dataclass, and dot access instead of dict key is recommended. Therefore, the dict access emits DeprecationWarning.

https://spglib.readthedocs.io/en/stable/api/python-api/spglib/spglib.html#spglib.SpglibDataset
https://spglib.readthedocs.io/en/stable/api/python-api/spglib/spglib.html#spglib.SpaceGroupType

This PR is to prevent it. I added a function get_dot_access_dataset, which mimics dot access for those dictionary for spglib < v2.5.0.

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