ML RCOUPLE
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.
For thermodynamic integration calculations please have a look at the tag ML_FF_LCOUPLE_MB.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_NATOM_COUPLED_MB, ML_FF_ICOUPLE_MB