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ML FF ICOUPLE MB

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ML_FF_ICOUPLE_MB = [integer array] 

Description: This tag specifies the atoms where the coupling parameter is introduced to calculate the chemical potential within the machine learning force field method.


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

To use this tag also the number of atoms for which the coupling parameter is introduced has to be defined (see ML_FF_NATOM_COUPLED_MB).

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_NATOM_COUPLED_MB, ML_FF_RCOUPLE_MB

Examples that use this tag