Requests for technical support from the VASP group should be posted in the VASP-forum.

ML FF LCRITERIA

From Vaspwiki
Jump to navigationJump to search

ML_FF_LCRITERIA = [logical]
Default: ML_FF_LCRITERIA = .TRUE. 

Description: Decides whether the threshold in the learning decision step for the Bayesian error estimation is renewed or not in the machine learning force field methods.


This flag is only used if Bayesian error estimation is switched on (ML_FF_IERR=2 or 3).

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IERR, ML_FF_ISAMPLE

Examples that use this tag