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ML MCONF NEW

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ML_MCONF_NEW = [integer]
Default: ML_MCONF_NEW = 5 

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


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

The usage of this tag in combination with the learning algorithms is described here: here.

Related Tags and Sections

Examples that use this tag


ML_LMLFF, ML_MCONF,ML_CTIFOR, ML_CDOUB