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root/OpenMD/branches/development/samples/argon/argonNVT.md
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Comparing trunk/samples/argon/argonNVT.md (file contents):
Revision 1028 by chrisfen, Thu Aug 31 20:12:12 2006 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 1 | Line 1
1 < <OOPSE version=4>
1 > <OpenMD version=1>
2    <MetaData>
3   #include "lj.md"
4  
# Line 16 | Line 16 | dt = 1.0;
16   ensemble = "NVT";
17   tauThermostat = 1e3;
18   dt = 1.0;
19 < runTime = 1e5;
19 > runTime = 1;
20  
21   sampleTime = 100;
22 < statusTime = 10;
22 > statusTime = 1;
23  
24   thermalTime = 100.0;
25   tempSet = "false";
26 +
27 + cutoffRadius  = 8.0;
28 + switchingRadius = 8.0;
29 +
30    </MetaData>
31    <Snapshot>
32      <FrameData>
# Line 140 | Line 144 | tempSet = "false";
144         107      pv          14.409635          12.403795          13.931267  -2.499000e-03  1.285000e-03  1.700000e-04
145      </StuntDoubles>
146    </Snapshot>
147 < </OOPSE>
147 > </OpenMD>

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