When performing a passive_learning run, the error_thresholds_for_discard is evaluated on the forces only since the energy will have a large offset, which is fine. However, the default threshold (0.6 eV/A) appears to be insufficient in some cases and all structures are discarded, causing the run to fail. I would suggest to either increase the default threshold values or setting them to None if the user does not specify them.
When performing a
passive_learningrun, theerror_thresholds_for_discardis evaluated on the forces only since the energy will have a large offset, which is fine. However, the default threshold (0.6 eV/A) appears to be insufficient in some cases and all structures are discarded, causing the run to fail. I would suggest to either increase the default threshold values or setting them toNoneif the user does not specify them.