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Difference between revisions of "ML FF SIGW0 MB"

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(Created page with "{{TAGDEF|ML_FF_SIGW0_MB|[real]|1.0}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_SIGW0_MB|Examples|Examples that use this tag}} ---- Category:INCARC...")
 
 
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{{TAGDEF|ML_FF_SIGW0_MB|[real]|1.0}}
 
{{TAGDEF|ML_FF_SIGW0_MB|[real]|1.0}}
  
Description:
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Description: This flag sets the initial reversed and squared precision parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> in the machine learning force field method.
 
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For the optimization of the reversed and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> see following section:
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{{TAG|On-the-fly machine learning force field generation using Bayesian linear regression}}.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IREG_MB}}, {{TAG|ML_FF_SIGV0_MB}}
  
 
{{sc|ML_FF_SIGW0_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_SIGW0_MB|Examples|Examples that use this tag}}
 
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:22, 29 February 2020

ML_FF_SIGW0_MB = [real]
Default: ML_FF_SIGW0_MB = 1.0 

Description: This flag sets the initial reversed and squared precision parameter in the machine learning force field method.


For the optimization of the reversed and squared noise parameter 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_SIGV0_MB

Examples that use this tag