[DFTB-Plus-User] Atomic charges during MD simulations
Moyassar Meshhal
moyassar.meshhal at uni-rostock.de
Fri Sep 25 23:53:55 CEST 2020
Dear all,
In MD simulations DFTB+ prints out the atomic charges only for the last step.
Is there an option to make it appends the atomic charges for each step?
Best Regards
Moyassar
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