[CP2K-user] [CP2K:16525] how to preserve a bond during MD/OPT

Geng sungengemail at foxmail.com
Sat Jan 29 01:49:32 UTC 2022


Dear CP2k users,
I wonder how to add an external force field on selected pairs of atoms 
(such as spring forces), so I can preserve the bond between atoms.?
Thank you very much in advance.
Best 
Geng

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