ML SIGV0

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0 

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

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For the optimization of the optimization of the reverse and squared noise parameter $\frac{1}{\sigma_{\mathrm{v}}^{2}}$ see following section: Machine learning force field: Theory.

Related Tags and Sections

ML_LMLFF, ML_IREG, ML_SIGW0

Examples that use this tag

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