[CP2K-user] Thoughts on RDFs for NPT ensemble simulations?

Ant ant... at gmail.com
Mon Aug 26 11:18:32 UTC 2019


I'd like to add, for anyone else who is checking in here, that I would be 
very interested to know what people think about simply using an average 
volume for an NPT RDF--if it is too sloppy or if it makes sense, at least 
until I figure out how to use distinct volumes at each time step.
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