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

Difference between revisions of "ML FF LCRITERIA"

From Vaspwiki
Jump to navigationJump to search
(Created page with "{{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LCRITERIA|Examples|Examples that use this tag}} ---- Category:IN...")
 
 
(8 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
{{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}}
 
{{TAGDEF|ML_FF_LCRITERIA|[logical]|.TRUE.}}
  
Description:
+
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.
 
----
 
----
 +
 +
This flag is only used if Bayesian error estimation is switched on ({{TAG|ML_FF_IERR}}=2 or 3).
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
 +
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_ISAMPLE}}, {{TAG|ML_FF_CSLOPE}}, {{TAG|ML_FF_CSIG}}
  
 
{{sc|ML_FF_LCRITERIA|Examples|Examples that use this tag}}
 
{{sc|ML_FF_LCRITERIA|Examples|Examples that use this tag}}
 
----
 
----
  
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
+
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 13:20, 2 December 2020

ML_FF_LCRITERIA = [logical]
Default: ML_FF_LCRITERIA = .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.


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, ML_FF_CSLOPE, ML_FF_CSIG

Examples that use this tag