ML_SIGV0

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0 

Description: This flag sets the noise parameter $s_{\mathrm{v}}$ (see here for definition) for the fitting in the machine learning force field method.

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If the regularization needs to be controlled manually, like e.g. in the fitting via singular value decomposition (ML_MODE=REFIT or ML_IALGO_LINREG=4), the best is to keep this parameter constant at 1 and control the regularization via the precision parameter $s_{\mathrm{w}}$ (see ML_SIGW0).

For the theory of this regularization parameter see this section.

Related tags and sections

ML_LMLFF, ML_IREG, ML_SIGW0, ML_IALGO_LINREG

Examples that use this tag

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