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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 (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 ?




Dipl.-Phys. Christoph Junghans
Max Planck Institute for Polymer Research
Theory Group
POBox 3148
D 55021 Mainz, Germany

Phone: +49 6131 379 335

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