ML LFAST: Difference between revisions
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This tag significantly speeds up the calculation for {{TAG|ML_ISTART}}=2, but without the Bayesian error prediction. | This tag significantly speeds up the calculation for {{TAG|ML_ISTART}}=2, but without the Bayesian error prediction. | ||
One can still have Bayesian error prediction by carrying out the slow version every <code>n</code> steps, by setting | One can still have Bayesian error prediction by carrying out the slow version every <code>n</code> steps, by setting | ||
{{TAG|ML_IERR}}=n. | {{TAG|ML_IERR}}=n. But by default this is omitted. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 09:36, 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.