ML LHEAT: Difference between revisions

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.

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