Fix MACE fitting #470
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Fix MACE fitting #470
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…nto 2026_improve_fitting
JaGeo
commented
Jan 8, 2026
JaGeo
commented
Jan 8, 2026
JaGeo
commented
Jan 8, 2026
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Unfortunately, the MACE fitting procedure was broken in the previous version. It only considered energies and forces. See #469 for more details on one of the issues.
This PR should fix the issue. As we haven't produced any production data with this fitting module, this is not an issue for us.