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Difference between revisions of "ML FF LHEAT MB"

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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:18, 29 February 2020

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