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[ESPResSo-devel] [bug #32005] Rotational inertia ignored in virials
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From: |
Peter Kosovan |
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Subject: |
[ESPResSo-devel] [bug #32005] Rotational inertia ignored in virials |
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Date: |
Tue, 31 May 2011 12:12:50 +0000 |
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User-agent: |
Mozilla/5.0 (X11; U; Linux x86_64; en-US; rv:1.9.2.17) Gecko/20110420 SUSE/3.6.17-0.2.1 Firefox/3.6.17 |
Follow-up Comment #2, bug #32005 (project espressomd):
The rotational inertia bug had to be re-fixed. After a more detailed
discussion it turned out that there is no contribution from rotation to the
ideal-gas part of pressure.
I removed my own mistaken fix from 24.5.2011 and also several lines of older
code which were adding rotational contribution from isotropic rotors.
However, the contribution from torques to the interaction part of pressure
remains still unresolved.
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