[DFTB-Plus-User] how to get the potential of every atom in the system
jsxzzhangchao at 126.com
Fri Apr 19 13:52:53 CEST 2013
In the output of md.out, there are potential energy, MD kinetic energy and total MD energy of the simulating system.
I do not know how to get the potential of every atom in the system.
Any comment or suggestion is appreciated.
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