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ML FF SIGW0 MB

ML_FF_SIGW0_MB = [real]
Default: ML_FF_SIGW0_MB = 1.0

Description: This flag sets the initial reversed and squared precision parameter ${\displaystyle {\frac {1}{\sigma _{\mathrm {w} }^{2}}}}$ in the machine learning force field method.

For the optimization of the reversed and squared noise parameter ${\displaystyle {\frac {1}{\sigma _{\mathrm {w} }^{2}}}}$ see following section: On-the-fly machine learning force field generation using Bayesian linear regression.