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[ESPResSo-devel] [bug #42049] the "velocities" command produces garbage


From: Peter Kosovan
Subject: [ESPResSo-devel] [bug #42049] the "velocities" command produces garbage when timestep is set
Date: Fri, 04 Apr 2014 14:25:19 +0000
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:28.0) Gecko/20100101 Firefox/28.0

URL:
  <http://savannah.nongnu.org/bugs/?42049>

                 Summary: the "velocities" command produces garbage when
timestep is set
                 Project: ESPResSo
            Submitted by: kosovan
            Submitted on: Fri 04 Apr 2014 16:25:19 CEST
                Category: None
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                 Release: None
           Fixed Release: None

    _______________________________________________________

Details:

velocities <v_max>

should set random velocities < v_max to all particles. As soon as I set the
time_step, the resultant velocities are garbage. Despite some effort, I was
unable to figure out where it goes wrong.

script:
part 0 pos 1.0 1.0 1.0;
puts [velocities 10.0]
puts [part]
setmd time_step 0.0125
puts [velocities 10.0]
puts [part]

output:
4.512527
{0 pos 1.0 1.0 1.0 type 0 mass 1.0 q 0.0 v -0.09661151566384918
-3.7939645414212553 -2.4411884660093053 f 0.0 0.0 0.0}
5.773190
{0 pos 1.0 1.0 1.0 type 0 mass 1.0 q 0.0 v 206.1406728840156
-16.64745994687431 412.96381336309196 f 0.0 0.0 0.0}





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