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Fix deprecated from pmg - #542

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minhsueh merged 2 commits into
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fix-deprecated-from-pmg
Aug 12, 2026
Merged

Fix deprecated from pmg#542
minhsueh merged 2 commits into
mainfrom
fix-deprecated-from-pmg

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@minhsueh minhsueh commented Aug 12, 2026

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Fix deprecated pymatgen methods in this PR

Replaces deprecated pymatgen graph construction methods with their current equivalents:

MoleculeGraph.with_empty_graph() -> MoleculeGraph.from_empty_graph()
StructureGraph.with_empty_graph() -> StructureGraph.from_empty_graph()
MoleculeGraph.with_local_env_strategy() -> MoleculeGraph.from_local_env_strategy()
StructureGraph.with_local_env_strategy() -> StructureGraph.from_local_env_strategy()

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minhsueh merged commit cb3c41a into main Aug 12, 2026
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minhsueh deleted the fix-deprecated-from-pmg branch August 12, 2026 18:49
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