[CP2K-user] FIST Module: print contributions to total energy?

Nicholas Winner nwi... at berkeley.edu
Sun Jan 31 02:03:33 UTC 2021

Hello all,

I'm running a MM calculation using FIST with a pair potential comprised of 
non-bonded terms and electrostatics including damped dipoles solved self 

I'd like to see the contribution from each part of the interaction 
potential separately, i.e. how much comes from the pair potential, how much 
from normal electrostatics, how much from polarization, but cannot find a 
way to do this. Does anyone know how I can do this?

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