ML CSIG: Difference between revisions

Revision as of 10:32, 17 November 2020

ML_FF_CSIG = [real]
Default: ML_FF_CSIG = $0.4$

Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.

ML_FF_CSIG is a threshold for variance in the stored estimated errors used to determine the criteria when ML_FF_LCRITERIA=.TRUE. is set.

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	{{TAGDEF\|ML_FF_CSIG\|[real]\|<math>0.2</math>}}		{{TAGDEF\|ML_FF_CSIG\|[real]\|<math>0.4</math>}}

	Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.		Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.