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Difference between revisions of "ML FF IREG MB"

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(Created page with "{{TAGDEF|ML_FF_IREG_MB|[integer]|2}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}} ---- Category:INCARCa...")
 
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{{TAGDEF|ML_FF_IREG_MB|[integer]|2}}
 
{{TAGDEF|ML_FF_IREG_MB|[integer]|2}}
  
Description:
+
Description: This tag specifies whether the noise parameters are kept constant or not in the machine learning force field method.
 
----
 
----
 +
The following cases are possible for this tag:
 +
*{{TAG|ML_FF_IREG_MB}}=1: The precision ({{TAG|ML_FF_SIGV0_MB}}) and noise ({{TAG|ML_FF_SIGW0_MB}}) parameters are kept constant.
 +
*{{TAG|ML_FF_IREG_MB}}=2: The parameters are optimized.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
 +
{{TAG|ML_FF_MLFF}}, {{TAG|ML_FF_SIGV0_MB}}, {{TAG|ML_FF_SIGW0_MB}}
  
 
{{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}}
 
----
 
----
  
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]

Revision as of 17:54, 19 May 2019

ML_FF_IREG_MB = [integer]
Default: ML_FF_IREG_MB = 2 

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


The following cases are possible for this tag:

Related Tags and Sections

ML_FF_MLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB

Examples that use this tag