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materialsproject / atomate2

atomate2 is a library of computational materials science workflows
https://materialsproject.github.io/atomate2/
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BUG: LobsterSchema needs to be updated #954

Closed naik-aakash closed 1 month ago

naik-aakash commented 3 months ago

After merging this https://github.com/materialsproject/pymatgen/pull/3946 PR and newer pymatgen release, calc quality analysis needs to be updated as dos fingerprints methods are updated in pymatgen, which would lead to failures in code execution here now

naik-aakash commented 1 month ago

Closing this as only the Pymatgen version update is necessary. No changes in the schema code are needed. The pymatgen version will be bumped in following PR #990