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Difference between revisions of "ML FF WTOTEN"

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{{DEF|ML_FF_WTOTEN|0.005|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}}
 
{{DEF|ML_FF_WTOTEN|0.005|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|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.
 
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If {{TAG|ML_FF_IWEIGHT}}=1 the weight has unit eV/atom and is used to divide the data by it. For {{TAG|ML_FF_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
 +
{{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:VASP6]]

Revision as of 14:49, 17 May 2019

ML_FF_WTOTEN = [real] 

Default: ML_FF_WTOTEN = 0.005 if ML_FF_IWEIGHT=1
= 1.0 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 unit eV/atom and is used to divide the data by it. For ML_FF_IWEIGHT=2 and 3 the weights are unitless and multiplicative.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IWEIGHT,ML_FF_WTIFOR,ML_FF_WTSIF

Examples that use this tag