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[ESPResSo-devel] ghost flag and virtual sites
From: |
Christoph Junghans |
Subject: |
[ESPResSo-devel] ghost flag and virtual sites |
Date: |
Fri, 23 May 2008 11:30:43 +0200 |
User-agent: |
Thunderbird 2.0.0.14 (X11/20080421) |
Dear all,
I have build in VIRTUAL_SITES in Espresso: Something like you can have
forces between the Center of mass particles of molecules. The forces are
distributed to the real particles and the COM particles are moved
according to the particles in the molecule.
It turns out, that there is a need to know if a particle is a ghost or
not, because in the update of the real particle you don't want to move
ghosts.
After some discussion with Axel, is seems like the ghost flag would be
also useful in other place (like domain-decomposition).
Should I put in the normal particle structure or should I leave it in
the virtual sites #ifdef ?
Suggestions?
Cheers,
Christoph
--
Dipl.-Phys. Christoph Junghans
Max Planck Institute for Polymer Research
Theory Group
POBox 3148
D 55021 Mainz, Germany
Phone: +49 6131 379 335
Web: http://www.mpip-mainz.mpg.de/~junghans
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