ML RCOUPLE: Difference between revisions
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{{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}} | {{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}} | ||
Description: | 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 {{TAG|ML_FF_LCOUPLE_MB}}=.TRUE. is set. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 08:24, 21 May 2019
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