[CP2K-user] [CP2K:19661] ab initio multiple spawning
scott...@gmail.com
scottkit85 at gmail.com
Thu Dec 14 15:27:23 UTC 2023
Dear CP2K experts,
Would it be possible to run non-adiabatic molecular dynamics by using
latest version of CP2K ?
I wonder whether we can integrate the ab initio multiple spawning algorithm
for instance PySpawn during CP2K compilation.
Rgds
Alfred
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