ML_CSIG
(Redirected from ML FF CSIG)
ML_CSIG = [real]
Default: ML_CSIG =
Description: Parameter used in the automatic determination of threshold ML_CTIFOR for Bayesian error estimation in the machine learning force field method.
The usage of this tag in combination with the learning algorithms is described here: here.
The standard error of the history of maximum Bayesian errors of the forces (ML_MHIS) and it's slope must be below ML_CSIG and ML_CSLOPE so that an update of the threshold for the maximum Bayesian error of forces ML_CTIFOR can take place.
Related tags and articles
ML_LMLFF, ML_ICRITERIA, ML_CSLOPE, ML_MHIS, ML_CTIFOR, ML_CX