libAtoms / workflow

python workflow toolkit
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wfl eval ace fails #193

Open bernstei opened 1 year ago

bernstei commented 1 year ago

Looks like all the machine learning potential wfl eval * functions are missing the context function argument, e.g. https://github.com/libAtoms/workflow/blob/main/wfl/cli/commands/eval.py#L45

bernstei commented 1 year ago

I guess we can use a pytest of wfl eval.