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Difference between revisions of "ML FF LHEAT MB"
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== Related Tags and Sections == | == Related Tags and Sections == | ||
− | {{TAG|ML_FF_MLFF}, {{TAG|ML_FF_LEATOM_MB}} | + | {{TAG|ML_FF_MLFF}}, {{TAG|ML_FF_LEATOM_MB}} |
{{sc|ML_FF_LHEAT_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_LHEAT_MB|Examples|Examples that use this tag}} |
Revision as of 16:11, 13 May 2019
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.