[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!

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/9aab4e81-c46c-40a6-9ee8-412809f03d2cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20251210/f05356e8/attachment.htm>


More information about the CP2K-user mailing list