ML CTIFOR: Difference between revisions
(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: | 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 {{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 == | ||
{{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}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[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