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[ESPResSo-devel] rescale_forces


From: Ulf Schiller
Subject: [ESPResSo-devel] rescale_forces
Date: Thu, 04 Oct 2007 14:47:04 +0200
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Hello,

I'm working on a 2nd-order integrator for velocity dependent forces
(e.g. Langevin, LB). I'm wondering why in the VV integrator the forces
are scaled with 0.5*dt^2. Is it because otherwise the multiplication
would have to be performed twice? Has anybody ever measured whether we
actually gain performance by this? In the new integrator forces are only
applied once, hence one could save the writing to memory of the scaled
forces. On the other hand, a different convention could be a potential
source of confusion which I would like to avoid.

Cheers,
Ulf

- --
Ulf D. Schiller   *   Room 1.404   *   Phone +49 6131 379-481
Max Planck Institute for Polymer Research
Theory Group
D-55128 Mainz, Germany                   50° 0' N, 008° 16' E
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