[CP2K-user] [CP2K:21515] Printing of constraining potentials, colvar, etc.

Daniele Passerone dpasserone at gmail.com
Sat May 31 10:16:33 UTC 2025


Dear developers

I am a long (long long!) time user of CP2K, and I love this program as well 
as all its developers. But I strive to understand which kind of evil design 
plan is the one by which neither the COLVAer, nor the constraining 
potential, nor the target vs. the actual value, nor the separation in 
potential energy + constraining potential are printed in the output or in a 
separate CP2K file during a geometry optimization with restraint. 

Can you please add this in the next version? That would be really great!

Best,

Daniele

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