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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 |
URL:
<http://savannah.nongnu.org/bugs/?34476>
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
_______________________________________________________
Details:
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.
_______________________________________________________
Reply to this item at:
<http://savannah.nongnu.org/bugs/?34476>
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- [ESPResSo-devel] [bug #34476] virtual_sites_relative not working with some mesh based methods (maggs, lb),
Rudolf Weeber <=