ML LHEAT

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Revision as of 10:57, 30 January 2020 by Karsai (talk | contribs)

ML_FF_LHEAT_MB = [logical]
Default: ML_FF_LHEAT_MB = .FALSE. 

Description: This flag specifies whether the heat flux is calculated or not in the machine learning force field method.

The heat flux is written to the file ML_HEAT.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LEATOM_MB

Examples that use this tag

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