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{{DISPLAYTITLE:ML_FF}} | |||
This file contains the force field information. | This file contains the force field information. | ||
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[[Category:Files]][[Category:Machine | [[Category:Files]][[Category:Machine-learned force fields]][[Category:Input files]] | ||
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.