ML SIGW0

ML_SIGW0 = [real]
Default: ML_SIGW0 = 1.0 

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

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

Related Tags and Sections

ML_LMLFF, ML_IREG, ML_SIGV0

Examples that use this tag

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