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[ESPResSo-devel] [bug #33407] Inertial tensor missing in thermostat

From: Rudolf Weeber
Subject: [ESPResSo-devel] [bug #33407] Inertial tensor missing in thermostat
Date: Thu, 26 May 2011 14:13:56 +0000
User-agent: Links (2.1pre30; Linux x86_64; 100x28)


                 Summary: Inertial tensor missing in thermostat
                 Project: ESPResSo
            Submitted by: rudolfweeber
            Submitted on: Thu 26 May 2011 04:13:54 PM CEST
                Category: Simulation core
                Severity: 4 - Important
                  Status: In Progress
             Assigned to: rudolfweeber
             Open/Closed: Open
         Discussion Lock: Any
                 Release: None
           Fixed Release: None



This bug only affects simulations with the ROTATIONAL_INERTIA feature turned
on (off by default).
In the rotational thermostat, a prefactor is missing. Therefore, rotational
degrees of freedom do not contain 1/2 kT if the respective component of the
inertial tensor is not unity.

A fix including test case is available in my git repo.


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