[CP2K-user] [CP2K:19846] Free-Energy and UMBRELLA_INTEGRATION in CP2k
Bero Gol
jogogogo2016 at gmail.com
Mon Jan 29 15:07:04 UTC 2024
Dear CP2k developers,
CP2K has the section
/ FREE_ENERGY / UMBRELLA_INTEGRATION.
In the reg test I found one UI-example:
cp2k-232/cp2k/tests/Fist/regtest-6/NaCl_fe.inp
using UMBRELLA_INTEGRATION.
Do you know of other CP2k-UMBRELLA_INTEGRATION examples
or tutorials showing how this CP2K-UI-sheme works?
The CP2k-UI seems to be a cp2k-specific tool,
not related to the Kästner-Thiel-UI-method?
Many thanks,
Bernd
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