ML SIGV0: Difference between revisions

Revision as of 13:15, 2 December 2019

ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 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.

For the optimization of the optimization of the reverse and squared noise parameter $\frac{1}{\sigma_{\mathrm{v}}^{2}}$ 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

Examples that use this tag

@@ Line 1: / Line 1: @@
 {{TAGDEF|ML_FF_SIGV0_MB|[real]|1.0}}
-Description: This flag sets the initial reverse noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> in the machine learning force field method.
+Description: This flag sets the initial reversed and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> in the machine learning force field method.
 ----
-For the optimization of the optimization of the reverse noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> see following section:
+For the optimization of the optimization of the reverse and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> see following section:
 {{TAG|On-the-fly machine learning force field generation using Bayesian linear regression}}.