libAtoms / workflow

python workflow toolkit
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MACE fit fix handling of path for foundations_model when workdir is used #300

Closed bernstei closed 6 months ago

bernstei commented 6 months ago

Make foundations_model mace fit param an absolute path before it's passed to run_train.py if it appears to be a file so that it'll work after a possible os.chdir into an explicitly selected workdir.