[CP2K-user] [CP2K:21997] Tabulated external force potential
Ioachim Dusa
ioachimdusa at gmail.com
Wed Dec 10 13:42:10 UTC 2025
Dear CP2K community,
I was wondering whether it is possible to specify an external potential for
the force and energy evaluation dependent on the atomic positions using a
tabulated file. FORCE_EVAL/EXTERNAL_POTENTIAL does not seem to have this
option; only FUNCTION for which the analytical form is needed, which in my
case is too complex to implement in the input file. Are there any
workarounds?
Thank you very much for your help!
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