[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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