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ML FF LHEAT MB

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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