ML CSIG

ML_FF_CSIG = [real]
Default: ML_FF_CSIG = $0.2$ 

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

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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.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCRITERIA, ML_FF_CSLOPE

Examples that use this tag

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