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Difference between revisions of "ML FF IREG MB"

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The following cases are possible for this tag:
 
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}}=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.
+
*{{TAG|ML_FF_IREG_MB}}=2: The parameters are optimized (default).
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==

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_LMLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB

Examples that use this tag