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ML FF CSIG

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ML_FF_CSIG = [real]
Default: ML_FF_CSIG =  

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


For details please read entry ML_FF_LCRITERIA first. The parameter ML_FF_CTIFOR is only updated, if the standard error of the collected Bayesian errors is below ML_FF_CSIG times the mean of the collected Bayesian errors.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCRITERIA, ML_FF_CSLOPE, ML_FF_MHIS, ML_FF_CTIFOR

Examples that use this tag