ML IREG: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 1: Line 1:
{{DISPLAYTITLE:ML_IREG}}
{{TAGDEF|ML_IREG|[integer]|2}}
{{TAGDEF|ML_IREG|[integer]|2}}


Line 9: Line 10:
For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see [[Machine learning force fields: Theory#Bayesian error estimation|this section]].
For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see [[Machine learning force fields: Theory#Bayesian error estimation|this section]].


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|ML_LMLFF}}, {{TAG|ML_SIGV0}}, {{TAG|ML_SIGW0}}
{{TAG|ML_LMLFF}}, {{TAG|ML_SIGV0}}, {{TAG|ML_SIGW0}}


Line 15: Line 16:
----
----


[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]
[[Category:INCAR tag]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Revision as of 07:27, 7 April 2022

ML_IREG = [integer]
Default: ML_IREG = 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 this section.

Related tags and articles

ML_LMLFF, ML_SIGV0, ML_SIGW0

Examples that use this tag