ML CTIFOR: Difference between revisions

Revision as of 10:14, 17 January 2022

ML_CTIFOR = [real]
Default: ML_CTIFOR = $0.002$

Description: This flag sets the threshold for the Bayesian error estimation on the force within the machine learning force field method.

The usage of this tag in combination with the learning algorithms is described here: here.

The initial threshold is set to the value provided by ML_CTIFOR (the unit is eV/Angstrom). The behaviour how the threshold is further controlled is given by ML_ICRITERIA.

Related Tags and Sections

ML_LMLFF, ML_ICRITERIA, ML_MHIS, ML_CSIG, ML_CSLOPE, ML_CDOUB, ML_CX, ML_NMDINT, ML_MCONF_NEW

Examples that use this tag

Revision as of 10:34, 2 November 2021 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 10:14, 17 January 2022 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
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	{{TAGDEF\|ML_CTIFOR\|[real]\|<math> ~~10^{-16}~~</math>}}		{{TAGDEF\|ML_CTIFOR\|[real]\|<math> 0.002</math>}}

	Description: This flag sets the threshold for the Bayesian error estimation on the force within the machine learning force field method.		Description: This flag sets the threshold for the Bayesian error estimation on the force within the machine learning force field method.