ML LHEAT: Difference between revisions
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_FF_LMLFF}}, {{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}} | ||
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
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.