[CP2K-user] How to calculate ABINITIO potential of mean force using constarint force method in cp2k

Annesha Debroy anneshad... at gmail.com
Tue Mar 23 06:02:02 UTC 2021

I intend to perform abinitio md and calculate potential of mean force using 
constraint force method. I am aware of the mathematics and physics behind 
it. Looking for implementation of it in cp2k program package. Thanks in 
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