[CP2K-user] [CP2K:19933] Energies of the atoms of my system

Nathalie Smith nathaliesmith26 at gmail.com
Tue Feb 20 13:26:59 UTC 2024


Hello everyone,

I am trying to run a MD simulation and want to print the energies of each 
atom, similarly to the force output of MOTION/PRINT/FORCES. Could someone 
kindly tell me where to find such an option in CP2K? Thanks in advance!

Best wishes,
Nathalie Smith

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