ML FFN: Difference between revisions
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[[Category:Files]][[Category:Machine | [[Category:Files]][[Category:Machine-learned force fields]][[Category:Output Files]] | ||
Revision as of 13:22, 8 April 2022
This file contains a knewly created force field from machine learning runs with the options ML_ISTART=0 or ML_ISTART=1. It's structure is identical to the ML_FF file. To be able to use the new force field from ML_FFN file it has to be simply copied to ML_FF and the INCAR tag ML_ISTART=2 has to be set.