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[ESPResSo-devel] [bug #34476] virtual_sites_relative not working with so

From: Rudolf Weeber
Subject: [ESPResSo-devel] [bug #34476] virtual_sites_relative not working with some mesh based methods (maggs, lb)
Date: Tue, 04 Oct 2011 15:06:14 +0000
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:6.0.2) Gecko/20100101 Firefox/6.0.2


                 Summary: virtual_sites_relative not working with some mesh
based methods (maggs,lb) 
                 Project: ESPResSo
            Submitted by: rudolfweeber
            Submitted on: Tue 04 Oct 2011 05:06:13 PM CEST
                Category: Simulation core
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                 Release: None
           Fixed Release: None



When virtual sites cross the periodic boundaries, their position is not
immediately folded and may therefore be outside the current box.
Some mesh based alorighms don't handle this case.
Folding the position of the virtual site immideately after placement, on the
other hand, breaks the calculation of short range forces.

A solution is not yet known.


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