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Difference between revisions of "ML FF IREG MB"

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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Revision as of 10:52, 30 January 2020

ML_FF_IREG_MB = [integer]
Default: ML_FF_IREG_MB = 2 

Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.


The following cases are possible for this tag:

For the optimization of the noise parameter see following section: Machine learning force fields: Theory.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB

Examples that use this tag