ML_RCOUPLE
(Redirected from ML FF RCOUPLE MB)
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