Add `pip install git+https://gitlab.com/ase/ase` user advice on `FrechetCellFilter` `ImportError` and allow `ase_filter` to be `str`

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 janosh closed 7 months ago

janosh commented 7 months ago

TypeError: Cannot convert a MPS Tensor to float64 dtype as the MPS framework doesn't support float64. Please use float32 instead.