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root/OpenMD/trunk/samples/thermoIntegration/solid/water.md
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Comparing trunk/samples/thermoIntegration/solid/water.md (file contents):
Revision 1008 by chrisfen, Thu May 25 21:40:57 2006 UTC vs.
Revision 1009 by chrisfen, Wed Jul 19 12:46:20 2006 UTC

# Line 56 | Line 56 | molecule{
56      type = "SSD1";
57      position( 0.0, 0.0, 0.0 );
58      orientation( 0.0, 0.0, 0.0 );
59 +  }
60 + }
61 +
62 + molecule{
63 +  name = "TRED";
64 +  
65 +  atom[0]{
66 +    type = "TRED";
67 +    position( 0.0, 0.0, 0.0 );
68 +    orientation( 0.0, 0.0, 0.0 );
69 +  }
70 +  atom[1]{
71 +    type = "EP_TRED";
72 +    position( 0.0, 0.0, 0.5 );
73    }
74 +
75 +  rigidBody[0]{
76 +    members(0, 1);
77 +  }
78 +
79 +  cutoffGroup{
80 +    members(0, 1);
81 +  }
82   }
83  
84   molecule{

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