ML RCOUPLE: Difference between revisions

Revision as of 15:21, 29 February 2020

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.

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

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_NATOM_COUPLED_MB, ML_FF_ICOUPLE_MB

Examples that use this tag

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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]]