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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 `use_device` not set correctly #18

Closed janosh closed 1 year ago

janosh commented 1 year ago

I introduced a bug in https://github.com/CederGroupHub/chgnet/commit/4dbfc1e43e52ab79c75ec5c8067ddc80c2bdba4a that prevents use_device from being set correctly. This PR adds a test to make sure we don't regress again.