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[ESPResSo-devel] Velocities appearing to have half of intended value
From: |
Evyatar Arad |
Subject: |
[ESPResSo-devel] Velocities appearing to have half of intended value |
Date: |
Tue, 21 Jul 2015 14:41:29 +0300 |
Hello again,
First, congrats on the newly implemented Langevin thermostat!
As previously posted, I’ve integrated a new thermostat\integrator to Espresso.
The equations are all there, well written (as far as I can tell) and accounted
for.
I am having some troubles with the velocity values. For some reason it seems
the average velocity per particle is exactly half then what the original
integrator provides.
I should add that if I try to simply add a *2 coefficient to the equations, the
bonds break at warmup - suggesting the velocities are half than the original
ones at the post warmup steady state.
Any Idea as to what might cause this?
Thanks again,
Evy
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