ML_SIGW0

ML_SIGW0 = [real]
Default: none 

Default: ML_SIGW0	= 1E-7	for ML_MODE = REFIT
	= 1.0	else

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

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For details about the optimization of this regularization parameter see this section.

Related tags and articles

ML_LMLFF, ML_MODE, ML_IREG, ML_SIGV0

Examples that use this tag

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