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ML CSIG

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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 Sections

ML_LMLFF, ML_ICRITERIA, ML_CSLOPE, ML_MHIS, ML_CTIFOR, ML_CX

Examples that use this tag