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

Difference between revisions of "ML FF IREG MB"

From Vaspwiki
Jump to navigationJump to search
Line 1: Line 1:
 
{{TAGDEF|ML_FF_IREG_MB|[integer]|2}}
 
{{TAGDEF|ML_FF_IREG_MB|[integer]|2}}
  
Description: This tag specifies whether the noise parameters are kept constant or not in the machine learning force field method.
+
Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.
 
----
 
----
 
The following cases are possible for this tag:
 
The following cases are possible for this tag:

Revision as of 10:09, 6 June 2019

ML_FF_IREG_MB = [integer]
Default: ML_FF_IREG_MB = 2 

Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.


The following cases are possible for this tag:

For the optimization of the noise parameter see following section: On-the-fly machine learning force field generation using Bayesian linear regression.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB

Examples that use this tag