ML ICRITERIA: Difference between revisions
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | ||
Revision as of 15:18, 29 February 2020
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