ML NATOM COUPLED: Difference between revisions
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{{TAGDEF|ML_FF_NATOM_COUPLED_MB|[integer]|1}} | {{TAGDEF|ML_FF_NATOM_COUPLED_MB|[integer]|1}} | ||
Description: | 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. | ||
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Revision as of 08:18, 21 May 2019
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