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Difference between revisions of "ML FF WTOTEN"

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(Created page with "{{TAGDEF|ML_FF_WTOTEN|[real]}} {{DEF|ML_FF_WTOTEN|5.0|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_WTOTEN|Exa...")
 
 
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{{TAGDEF|ML_FF_WTOTEN|[real]}}
 
{{TAGDEF|ML_FF_WTOTEN|[real]}}
{{DEF|ML_FF_WTOTEN|5.0|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}}
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{{DEF|ML_FF_WTOTEN|0.005|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|10.0|otherwise}}
  
Description:
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Description: This tag sets the weight for the scaling of the total energy in the training data within the machine learning force field method.
 
----
 
----
 +
 +
If {{TAG|ML_FF_IWEIGHT}}=1 the weight has a unit of eV/atom and is used to divide the data by it. For {{TAG|ML_FF_IWEIGHT}}=2 and 3 the weights are unitless and the data is multiplied by the weight.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IWEIGHT}},{{TAG|ML_FF_WTIFOR}},{{TAG|ML_FF_WTSIF}}
  
 
{{sc|ML_FF_WTOTEN|Examples|Examples that use this tag}}
 
{{sc|ML_FF_WTOTEN|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 13:21, 13 November 2020

ML_FF_WTOTEN = [real] 

Default: ML_FF_WTOTEN = 0.005 if ML_FF_IWEIGHT=1
= 10.0 otherwise

Description: This tag sets the weight for the scaling of the total energy in the training data within the machine learning force field method.


If ML_FF_IWEIGHT=1 the weight has a unit of eV/atom and is used to divide the data by it. For ML_FF_IWEIGHT=2 and 3 the weights are unitless and the data is multiplied by the weight.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IWEIGHT,ML_FF_WTIFOR,ML_FF_WTSIF

Examples that use this tag