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Difference between revisions of "ML FF RCOUPLE MB"

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(Created page with "{{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_RCOUPLE_MB|Examples|Examples that use this tag}} ---- [[Category:INCAR]...")
 
 
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{{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}}
 
{{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}}
  
Description:
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Description: This tag specifies the value of the coupling parameter for the calculation of the chemical potential within the machine learning force field method.
 
----
 
----
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This flag is only used if {{TAG|ML_FF_LCOUPLE_MB}}=.TRUE. is set.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_LCOUPLE_MB}}, {{TAG|ML_FF_NATOM_COUPLED_MB}}, {{TAG|ML_FF_ICOUPLE_MB}}
  
 
{{sc|ML_FF_RCOUPLE_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_RCOUPLE_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: Alpha]]

Latest revision as of 15:21, 29 February 2020

ML_FF_RCOUPLE_MB = [real]
Default: ML_FF_RCOUPLE_MB = 1.0 

Description: This tag specifies the value of the coupling parameter for the calculation of the chemical potential within the machine learning force field method.


This flag is only used if ML_FF_LCOUPLE_MB=.TRUE. is set.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_NATOM_COUPLED_MB, ML_FF_ICOUPLE_MB

Examples that use this tag