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ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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Fix check for patience that fails if swa start was not specified #405

Closed bernstei closed 2 months ago

bernstei commented 2 months ago

Make sure check for patience does not try to use swa.start if it is None, in two tests: switching to swa, and terminating iterations altogether.