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Difference between revisions of "ML CTIFOR"

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(Created page with "{{TAGDEF|ML_FF_CTIFOR|[real]|<math> 10^{-16}</math>}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_CTIFOR|Examples|Examples that use this tag}} ---- Cate...")
 
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{{TAGDEF|ML_FF_CTIFOR|[real]|<math> 10^{-16}</math>}}
 
{{TAGDEF|ML_FF_CTIFOR|[real]|<math> 10^{-16}</math>}}
  
Description:
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Description: his flag sets the threshold for the Bayesian error estimation on the force in the machine learning force field methods.
 
----
 
----
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Within the learning step if a newly considered structure gives a spilling factor larger than {{TAG|ML_FF_CTIFOR}}, the sampling is stopped and a new force field is generated. This flag is only used if {{TAG|ML_FF_IERR}}=2 or 3. The unit of {{TAG|ML_FF_CTIFOR}} is in eV/Angstrom.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_CSF}}
  
 
{{sc|ML_FF_CTIFOR|Examples|Examples that use this tag}}
 
{{sc|ML_FF_CTIFOR|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 13:20, 13 May 2019

ML_FF_CTIFOR = [real]
Default: ML_FF_CTIFOR =  

Description: his flag sets the threshold for the Bayesian error estimation on the force in the machine learning force field methods.


Within the learning step if a newly considered structure gives a spilling factor larger than ML_FF_CTIFOR, the sampling is stopped and a new force field is generated. This flag is only used if ML_FF_IERR=2 or 3. The unit of ML_FF_CTIFOR is in eV/Angstrom.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IERR, ML_FF_CSF

Examples that use this tag