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Difference between revisions of "ML CTIFOR"

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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_CSF}}
 
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_CSF}}
  
{{sc|ML_FF_CTIFOR|Examples|Examples that use this tag}}
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{{sc|ML_FF_C[[Category:VASP6]]
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TIFOR|Examples|Examples that use this tag}}
 
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Revision as of 10:49, 30 January 2020

ML_FF_CTIFOR = [real]
Default: ML_FF_CTIFOR =  

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


Within the learning step if a newly considered structure gives an error in the force 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 eV/Angstrom.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IERR, ML_FF_CSF

[[Special:Search/"ML_FF_C TIFOR" incategory:"Examples"|Examples that use this tag]]