Add `ase_filter` keyword to `StructOptimizer.relax()`

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

Follow up to #101 to make ase.filters.Filter used by StructOptimizer customizable.