ML CSLOPE: Difference between revisions
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Revision as of 15:15, 29 February 2020
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_LCRITERIA, ML_FF_CSIG