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From: | Owen Hickey |
Subject: | [ESPResSo-devel] [bug #44133] Temperature in LB_GPU is too high |
Date: | Tue, 03 Feb 2015 13:51:47 +0000 |
User-agent: | Mozilla/5.0 (X11; Linux x86_64) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/40.0.2214.94 Safari/537.36 |
Follow-up Comment #5, bug #44133 (project espressomd): I discovered the cause of the discrepancy. I had ROTATION compiled in and the rotational degrees of freedom were only being equilibrated during an initial warm up. With a small time step these degrees of freedom did not have enough time to warm up and the resulting temperature was then half of what it should be. Apologies for the red herring. Owen _______________________________________________________ Reply to this item at: <http://savannah.nongnu.org/bugs/?44133> _______________________________________________ Message sent via/by Savannah http://savannah.nongnu.org/
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