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[ESPResSo] Non-cubic simulation box

From: Jacob Kirkensgaard
Subject: [ESPResSo] Non-cubic simulation box
Date: Mon, 3 Mar 2008 13:50:45 +0100

Hi all

Is non-cubic simulations implemented in Espresso, especially in a NPT context. I would like to have the possibility of the box to relax to some triclinic shape if necessary. Is something like this being considered by developers if not already implemented?

All the best,
Jacob Kirkensgaard
University of Copenhagen

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