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root/OpenMD/trunk/samples/argon/ar864.md
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Comparing trunk/samples/argon/ar864.md (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

# Line 10 | Line 10 | forceField = "LJ";
10  
11  
12   forceField = "LJ";
13 < targetTemp = 135.1344;
13 > targetTemp = 80;
14   tauThermostat = 1e3;
15   cutoffRadius = 15.0;
16   switchingRadius = 15.0;
17 + cutoffMethod = SHIFTED_FORCE;
18  
19   ensemble = "NVT";
20   dt = 1.0;
21 < runTime = 1e5;
21 > runTime = 1000;
22  
23   sampleTime = 100;
24   statusTime = 1;
25  
26   thermalTime = 1000.0;
27 < tempSet = "true";
27 > tempSet = "false";
28    </MetaData>
29    <Snapshot>
30      <FrameData>

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