[CP2K-user] [CP2K:22048] Chunk regions for printing temperature gradiant
Somayeh Ahmadkhani
so.ahmadkhani at gmail.com
Thu Jan 15 11:58:14 UTC 2026
Hi dear CP2K users,
I have a water chain, and I would like to calculate the temperature for
every 10 Å segment of this chain. Does anyone know how this can be done in
CP2K? I couldn’t find a way to define chunk regions as we can in LAMMPS.
Thank you very much for any suggestions!
Best regards,
Somayeh
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