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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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Fix `ValueError: ndarray is not C-contiguous` CI errors #41

Closed janosh closed 1 year ago

janosh commented 1 year ago

Temporarily install pymatgen from master in CI until https://github.com/materialsproject/pymatgen/pull/3108 is released.