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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Add `@property` `n_params` #94

Closed janosh closed 9 months ago

janosh commented 9 months ago

739b1e7 CHGNet add property n_params e84905c add version and n_params properties to CHGNetCalculator and StructOptimizer a00ac8b test version and n_params on CHGNet, CHGNetCalculator, StructOptimizer