ML MCONF NEW: Difference between revisions
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Revision as of 06:45, 23 August 2021
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.