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root/OpenMD/branches/development/samples/gbljtest/2gb.md
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Comparing branches/development/samples/gbljtest/2gb.md (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1618 by gezelter, Mon Sep 12 17:09:26 2011 UTC

# Line 15 | Line 15 | forceField = "DUFF";
15   targetTemp = 1;
16   tauThermostat = 30;
17   forceField = "DUFF";
18 + forceFieldFileName = "DUFF2.frc";
19  
20   cutoffRadius = 20.0;
21   switchingRadius = 18.0;
22   dt = 1.0;
23 < runTime = 1e5;
23 > runTime = 10;
24   useInitialTime = "false";
25   useInitialExtendedSystemState = "false";
26  
# Line 30 | Line 31 | statusTime = 1;
31    <Snapshot>
32      <FrameData>
33          Time: 0
34 <        Hmat: {{ 59.7166, 0, 0 }, { 0, 59.7166, 0 }, { 0, 0, 59.7166 }}
34 >        Hmat: {{ 63.7166, 0, 0 }, { 0, 63.7166, 0 }, { 0, 0, 63.7166 }}
35      </FrameData>
36      <StuntDoubles>
37 <         0    pvqj                 -5                  0                 -3  0.000000e+00  0.000000e+00  0.000000e+00  5.000000e-01  5.000000e-01  5.000000e-01  5.000000e-01  0.000000e+00  0.000000e+00  0.000000e+00
38 <         1    pvqj                  5                  0                  1  0.000000e+00  0.000000e+00  0.000000e+00  7.071070e-01  7.071070e-01  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00
37 >         0    pvqj                  5                  0                  1  0.000000e+00  0.000000e+00  0.000000e+00  7.071070e-01  7.071070e-01  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00
38 >         1    pvqj                 -5                  0                 -3  0.000000e+00  0.000000e+00  0.000000e+00  5.000000e-01  5.000000e-01  5.000000e-01  5.000000e-01  0.000000e+00  0.000000e+00  0.000000e+00
39      </StuntDoubles>
40    </Snapshot>
41   </OpenMD>

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