[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
advance
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