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Difference between revisions of "ML FF LHEAT MB"
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{{TAGDEF|ML_FF_LHEAT_MB|[logical]|.FALSE.}} | {{TAGDEF|ML_FF_LHEAT_MB|[logical]|.FALSE.}} | ||
| − | Description: | + | 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 {{TAG|ML_HEAT}}. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| + | {{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}} | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | + | [[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.
