ML SIGV0
ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0
Description: This flag sets the initial reversed and squared noise parameter [math]\displaystyle{ \frac{1}{\sigma_{\mathrm{v}}^{2}} }[/math] in the machine learning force field method.
For the optimization of the optimization of the reverse and squared noise parameter [math]\displaystyle{ \frac{1}{\sigma_{\mathrm{v}}^{2}} }[/math] 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