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materialsproject / pymatgen Public

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Read site labels from cif file#3136

Merged

janosh merged 5 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom

stefsmeets:cif-site-labelsstefsmeets/pymatgen:cif-site-labelsCopy head branch name to clipboard

Jul 6, 2023

Conversation Commits5 (5)Checks Files changed

Merged

Read site labels from cif file#3136
janosh merged 5 commits intomaterialsproject:masterfrom
stefsmeets:cif-site-labels

Commits

Commits on Jul 6, 2023

Store site label in `site_properties`
stefsmeets
committed
Add test
stefsmeets
committed
pre-commit auto-fixes
pre-commit-ci[bot]
committed
rename single-letter vars, use snake_case
janosh
committed
assert len(struct.site_properties["labels"]) == len(struct) and len(set(struct.site_properties["labels"])) == 4
janosh
committed

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