[DFTB-Plus-User] How to output forces on atoms for each MD step?
NaOH
naohjohn at qq.com
Mon Nov 23 14:19:27 CET 2020
Dear DFTB+ developers/users,
Is there a way to output forces on atoms for each MD step? I put "CalculateForces = Yes" in the Analysis block in MD simulations (using DFTB+ 20.1), but no forces are printed out.
Thank you in advance!
Best regards
Jian Shao
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