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Difference between revisions of "ML FF IBROAD2 MB"

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{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}}
 
{{TAGDEF|ML_FF_IBROAD2_MB|[integer]|2}}
  
Description:  
+
Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method.
 
----
 
----
 
+
The following cases are possible:
 +
*{{TAG|ML_FF_IBROAD2_MB}}=1: No broadening.
 +
*{{TAG|ML_FF_IBROAD2_MB}}=2: Element-independent user specified broadening (by using the tag {{TAG|ML_FF_SION2_MB}}).
 +
*{{TAG|ML_FF_IBROAD2_MB}}=3: Element-dependent user specified broadening (by using the tag {{TAG|ML_FF_SION2_MB}}).
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IBROAD1_MB}}, {{TAG|ML_FF_IBROAD1_MB}}, {{TAG|ML_FF_IBROAD2_MB}}
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_SION1_MB}}, {{TAG|ML_FF_SION2_MB}}, {{TAG|ML_FF_IBROAD1_MB}}
  
 
{{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_IBROAD2_MB|Examples|Examples that use this tag}}
 
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:16, 29 February 2020

ML_FF_IBROAD2_MB = [integer]
Default: ML_FF_IBROAD2_MB = 2 

Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method.


The following cases are possible:

Related Tags and Sections

ML_FF_LMLFF, ML_FF_SION1_MB, ML_FF_SION2_MB, ML_FF_IBROAD1_MB

Examples that use this tag