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ML FF NATOM COUPLED MB

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ML_FF_NATOM_COUPLED_MB = [integer]
Default: ML_FF_NATOM_COUPLED_MB = 1 

Description: This tag specifies the number of atoms for which a coupling parameter is introduced to calculate the chemical potential within the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_ICOUPLE_MB, ML_FF_RCOUPLE_MB

Examples that use this tag