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