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root/OpenMD/branches/development/samples/gbljtest/gb2lj1.md
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Comparing trunk/samples/gbljtest/gb2lj1.md (file contents):
Revision 983 by gezelter, Tue Jun 6 17:43:28 2006 UTC vs.
Revision 1028 by chrisfen, Thu Aug 31 20:12:12 2006 UTC

# Line 1 | Line 1
1 + <OOPSE version=4>
2 +  <MetaData>
3   #include "gb.md"
4   #include "lj.md"
5  
# Line 12 | Line 14 | component{
14   }
15  
16  
15 – initialConfig = "./gb2lj1.in";
17  
18   ensemble = NVT;
19   targetTemp = 1;
# Line 28 | Line 29 | statusTime = 100;
29  
30   sampleTime = 100;
31   statusTime = 100;
32 +  </MetaData>
33 +  <Snapshot>
34 +    <FrameData>
35 +        Time: 0
36 +        Hmat: {{ 59.7166, 0, 0 }, { 0, 59.7166, 0 }, { 0, 0, 59.7166 }}
37 +    </FrameData>
38 +    <StuntDoubles>
39 +         0    pvqj                 -7                  0                 -4  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
40 +         1    pvqj                  7                  0                  2  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
41 +         2      pv                  0                  0                  0   0.000000e+00  0.000000e+00  0.000000e+00
42 +    </StuntDoubles>
43 +  </Snapshot>
44 + </OOPSE>

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