ML ICRITERIA
ML_FF_LCRITERIA = [logical]
Default: ML_FF_LCRITERIA = .TRUE.
Description: Decides whether the threshold in the learning decision step for the Bayesian error estimation is renewed or not in the machine learning force field methods.
This flag is only used if Bayesian error estimation is switched on (ML_FF_IERR=2 or 3).
Related Tags and Sections
ML_FF_LMLFF, ML_FF_IERR, ML_FF_ISAMPLE