ML_FF

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Revision as of 09:45, 6 April 2022 by Huebsch (talk | contribs)

This file contains the force field information.

It is needed to run calculations using force fields only (ML_ISTART=2).

A knewly created force field with ML_ISTART=0 or ML_ISTART=1 is written to the ML_FFN file. This file has to be copied or moved to ML_FF for a force field only calculation.