Update dynamics.py - Githubissues

CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

https://doi.org/10.1038/s42256-023-00716-3

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Closed zhongpc closed 9 months ago

zhongpc commented 9 months ago

AseAtomsAdaptor() is stable to various versions of pymatgen

BowenD-UCB commented 9 months ago

@janosh If the old implementation does not affect speed, I would prefer the PR for better compatibility

janosh commented 9 months ago

Yeah that change was premature. Apologies