ML RCOUPLE: Difference between revisions

Latest revision as of 13:30, 8 April 2022

ML_RCOUPLE = [real]
Default: ML_RCOUPLE = 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.

For thermodynamic integration calculations please have a look at the tag ML_LCOUPLE.

Related tags and articles

ML_LMLFF, ML_LCOUPLE, ML_NATOM_COUPLED, ML_ICOUPLE

Examples that use this tag

Revision as of 07:38, 7 April 2022 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Latest revision as of 13:30, 8 April 2022 (view source) Karsai (talk \| contribs) No edit summary
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	[[Category:INCAR tag]][[Category:Machine ~~Learning]][[Category:Machine Learned Force Fields~~]]		[[Category:INCAR tag]][[Category:Machine-learned force fields]]