ML LFAST: Difference between revisions

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

Revision as of 09:34, 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.

Related tags and articles

ML_LMLFF, ML_ISTART