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

Ant ant... at gmail.com
Mon Aug 26 16:26:49 UTC 2019


I'd like to add that Travis has provided very useful advice for the future, 
but it would be great to know how I can deal with simulations that I 
already have.  Does anyone know how to plot RDFs that use the cell volume 
data from the *.cell file (i.e., update cell volume at each timestep)?  
Thank you.
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