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[ESPResSo-devel] bonded virials and rigid bonds

From: Christoph Junghans
Subject: [ESPResSo-devel] bonded virials and rigid bonds
Date: Tue, 21 Aug 2007 16:26:54 +0200
User-agent: Thunderbird (X11/20070728)

Dear all,

I have a question concerning the case BONDED_IA_RIGID_BOND in add_bonded_virials(Particle *p1) in pressure.h.

Why the "i+=2;"? I think rigid bonds are only two particle interactions.

This may changes pressure calculations with mixed bonded interaction.
(Without rigid and with rigid only stay the same.)



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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