ML SIGV0: Difference between revisions
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{{TAGDEF|ML_FF_SIGV0_MB|[real]|1.0}} | {{TAGDEF|ML_FF_SIGV0_MB|[real]|1.0}} | ||
Description: This flag sets the noise parameter in the machine learning force field method. | Description: This flag sets the initial noise parameter in the machine learning force field method. | ||
---- | ---- | ||
For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section: | |||
On-the-fly machine learning force field generation using Bayesian linear regression. | {{TAG|On-the-fly machine learning force field generation using Bayesian linear regression}}. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IREG_MB}}, ML_FF_SIGW0_MB | |||
{{sc|ML_FF_SIGV0_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_SIGV0_MB|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]] | ||
Revision as of 18:10, 19 May 2019
ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0
Description: This flag sets the initial noise parameter in the machine learning force field method.
For the optimization of the noise parameter [math]\displaystyle{ \sigma_{\mathrm{v}}^{2} }[/math] 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