[CP2K-user] [CP2K:19942] Re: Energies of the atoms of my system

[Muhammad Saleh]

Hi..

You may have to check section CP2K_INPUT / MOTION / MD / PRINT / ENERGY,  
on CP2K documentation, set FILENAME and EACH. Hope it will help 

Best
MuS

On Tuesday, February 20, 2024 at 2:26:59 PM UTC+1 Nathalie Smith wrote:

> 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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