ML NATOM COUPLED: Difference between revisions

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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Revision as of 15:20, 29 February 2020

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