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ML FF MCONF NEW

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ML_FF_MCONF_NEW = [integer]
Default: ML_FF_MCONF_NEW = 5 

Description: This flag sets the number of configurations that are stored temporally as candidates for the training data in the machine learning force field method.


This value is empirically set and should usually not be touched.

Related Tags and Sections

Examples that use this tag


ML_FF_LMLFF,ML_FF_MCONF