ML FF: Difference between revisions
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Revision as of 10:38, 30 January 2020
This file contains the force field information.
It is needed to run calculations using force fields only (ML_FF_ISTART=2).
A knewly created force field with ML_FF_ISTART=0 or ML_FF_ISTART=1 is written to the ML_FFNCAR file. This file has to be copied or moved to ML_FFCAR for a force field only calculation.