ML LFAST: Difference between revisions

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== Related tags and articles ==
== Related tags and articles ==
{{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_IERR}}
{{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_IERR}}, {{TAG|ML_OUTBLOCK}}, {{TAG|ML_OUTPUT_MODE}}
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[[Category:INCAR tag]][[Category:Machine-learned force fields]][[Category:Development version]]
[[Category:INCAR tag]][[Category:Machine-learned force fields]][[Category:Development version]]

Revision as of 09:37, 21 November 2022

ML_LFAST = [logical]
Default: ML_LFAST = .FALSE. 

Description: This tag switches on the very fast execution mode for ML_ISTART=2.


Until now this tag is only available in the development version of VASP.

This tag significantly speeds up the calculation for ML_ISTART=2, but without the Bayesian error prediction. One can still have Bayesian error prediction by carrying out the slow version every n steps, by setting ML_IERR=n. But by default this is omitted.

Related tags and articles

ML_LMLFF, ML_ISTART, ML_IERR, ML_OUTBLOCK, ML_OUTPUT_MODE