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ML FF LCRITERIA

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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, {{TAG|ML_FF_IERR}, ML_FF_ISAMPLE

Examples that use this tag