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add LRU cache to structure matcher#4036

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shyuep merged 17 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom kbuma:cache-structure-matcherkbuma/pymatgen:cache-structure-matcherCopy head branch name to clipboardSep 6, 2024

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Commits on Sep 3, 2024

• add LRU cache to _get_reduced_structure computations

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• make structure hashable via as_dict

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• Merge pull request #1 from esoteric-ephemera/hash_struct_lru

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Commits on Sep 4, 2024

• make structure hash recursive as_dict, change structure test to check hashability

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• Merge pull request #2 from esoteric-ephemera/hash_struct_lru

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• moved computation using lru_cache out of class method to avoid memory leakage issue

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Commits on Sep 5, 2024

• fix structure matcher caching, fix a few tests (mcsqs wrong file destination and missing pytest approx in TestBSPlot)

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• add suggested SiteOrderedIStructure from @kbuma

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• Merge pull request #3 from esoteric-ephemera/hash_struct_lru

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• Merge branch 'master' into cache-structure-matcher

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Commits on Sep 6, 2024

• add cast in eq for SiteOrderedIStructure to make mypy happy

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