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ML IREG

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ML_IREG = [integer]
Default: ML_IREG = 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 this section.

Related Tags and Sections

ML_LMLFF, ML_SIGV0, ML_SIGW0

Examples that use this tag