ML CTIFOR: Difference between revisions

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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.
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The usage of this tag in combination with the learning algorithms is described here: [[Machine learning force field calculations: Important algorithms#Threshold for error of forces|here]].
The usage of this tag in combination with the learning algorithms is described here: [[Machine learning force field calculations: Basics|here]].


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 10:05, 2 November 2021

ML_CTIFOR = [real]
Default: ML_CTIFOR =  

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.

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