[CP2K-user] [CP2K:21213] potential energy definition in MD

[fsai...@gmail.com]

Dear CP2k developers,
I would like to ask how is the potential energy defined in MD simulations? 
That is, what are the contributors to this property. I guess that for e.g. 
the Hartree and XC energy are sources to this property. If possible, it 
would be great if you could point me to the code lines that do this 
summation.

Sincerely,
 - Fernán Saiz, PhD
ALBA Synchrotron

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