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[ESPResSo-devel] Particle property q

From: Kai Grass
Subject: [ESPResSo-devel] Particle property q
Date: Mon, 2 Jul 2007 21:37:57 -0400

Hi another time, (no, it is not 3:30 at night, don't worry)

while extending the description for the "part" command in the user guide, I noticed, that Espresso doesn't complain if the charge q is set, even though ELECTROSTATICS is not compiled in. The command issued is simply silently surpressed in set_particle_q() [communication.c]. Similarly, polymer, salt and counterions allow to specify q in those cases. While this shouldn't lead to any problems since Coulomb interactions cannot be setup without ELECTROSTATICS, it still feels inconsistent to me. At least a warning should be issued in these cases.

Dipl. Phys. Kai Grass
(current coordinates)
Department of Physics
University of Ottawa
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Ottawa, Ontario K1N 6N5

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