ML CSIG
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