ML ICRITERIA: Difference between revisions

Revision as of 07:00, 16 April 2021

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

Description: Decides whether the threshold (ML_FF_CTIFOR) is updated 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). Generally it is recommended to automatically update the criteria ML_FF_CTIFOR during machine learning.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IERR, ML_FF_ISAMPLE, ML_FF_CSLOPE, ML_FF_CSIG, ML_FF_MHIS

Examples that use this tag

@@ Line 1: / Line 1: @@
 {{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}}
-Description: Decides whether the threshold in the decision step for the Bayesian error estimation is renewed or not in the machine learning force field methods.
+Description: Decides whether the threshold  ({{TAG|ML_FF_CTIFOR}}) is updated in the machine learning force field methods.
 ----
-This flag is only used if Bayesian error estimation is switched on ({{TAG|ML_FF_IERR}}=2 or 3).
+This flag is only used if Bayesian error estimation is switched on ({{TAG|ML_FF_IERR}}=2 or 3). Generally it is recommended to automatically update the criteria {{TAG|ML_FF_CTIFOR}} during machine learning.
 == Related Tags and Sections ==