ML SIGV0

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ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0 

Description: This flag sets the initial reversed and squared noise parameter in the machine learning force field method.


For the optimization of the optimization of the reverse and squared noise parameter see following section: On-the-fly machine learning force field generation using Bayesian linear regression.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IREG_MB, ML_FF_SIGW0_MB

Examples that use this tag