ML RCOUPLE: Difference between revisions
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{{TAGDEF| | {{DISPLAYTITLE:ML_RCOUPLE}} | ||
{{TAGDEF|ML_RCOUPLE|[real]|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. | 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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For thermodynamic integration calculations please have a look at the tag {{TAG| | For thermodynamic integration calculations please have a look at the tag {{TAG|ML_LCOUPLE}}. | ||
== Related | == Related tags and articles == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_LCOUPLE}}, {{TAG|ML_NATOM_COUPLED}}, {{TAG|ML_ICOUPLE}} | ||
{{sc| | {{sc|ML_RCOUPLE|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Machine | [[Category:INCAR tag]][[Category:Machine-learned force fields]] | ||
Latest revision as of 13:30, 8 April 2022
ML_RCOUPLE = [real]
Default: ML_RCOUPLE = 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.
For thermodynamic integration calculations please have a look at the tag ML_LCOUPLE.
Related tags and articles
ML_LMLFF, ML_LCOUPLE, ML_NATOM_COUPLED, ML_ICOUPLE