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: Basics|here]]. | The usage of this tag in combination with the learning algorithms is described here: [[Machine learning force field calculations: Basics#Sampling of training data and local reference configurations|here]]. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:07, 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