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ML FF CSLOPE

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ML_FF_CSLOPE = [real]
Default: ML_FF_CSLOPE =  

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


ML_FF_CSLOPE is a threshold for slope of 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_IERR, ML_FF_ISAMPLE, ML_FF_LCRITERIA, ML_FF_CSIG

Examples that use this tag