ML FF: Difference between revisions

Revision as of 09:45, 6 April 2022

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.

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+{{DISPLAYTITLE:ML_FF}}
 This file contains the force field information.
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-[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Input Files]][[Category:Alpha]]
+[[Category:Files]][[Category:Machine-learned force fields]][[Category:Input files]]