[CP2K-user] [CP2K:18152] QM/MM with core-shell

Vaishali Thakkur vaishali.thakkur at gmail.com
Mon Dec 5 15:36:49 UTC 2022

Hi all,
I am just starting out with CP2K. I see that CP2K is able to run QMMM MD 
with the core-shell model. So does it account for only MM polarization or 
does it in a way account for polarizable embedding?


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