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.


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

Related Tags and Sections

Examples that use this tag


ML_LMLFF, ML_MCONF