ML ICRITERIA: Difference between revisions
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{{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}} | {{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}} | ||
Description: Decides whether the threshold in the | Description: Decides whether the threshold in the decision step for the Bayesian error estimation is renewed or not in the machine learning force field methods. | ||
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Revision as of 13:20, 2 December 2020
ML_FF_LCRITERIA = [logical]
Default: ML_FF_LCRITERIA = .TRUE.
Description: Decides whether the threshold in the 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, ML_FF_CSLOPE, ML_FF_CSIG