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ML MCONF NEW: Difference between revisions

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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.
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.
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This value is empirically set and should usually not be touched.
{{NB|warning|This value is empirically set and should usually not be touched.}}


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 08:52, 21 October 2021

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.


Related Tags and Sections

Examples that use this tag


ML_LMLFF, ML_MCONF