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root/OpenMD/branches/development/samples/argon/500.md
Revision: 1812
Committed: Fri Nov 16 21:18:42 2012 UTC (12 years, 5 months ago) by gezelter
File size: 35905 byte(s)
Log Message: 
MERGE OpenMD trunk changes 1803:1811 into development branch

File Contents

# Content
1 <OpenMD version=1>
2 <MetaData>
3 #include "lj.md"
4
5
6 component{
7 type = "Ar";
8 nMol = 500;
9 }
10
11
12 forceField = "LJ";
13 targetTemp = 178.5;
14 tauThermostat = 1e3;
15 cutoffRadius = 9.0;
16 cutoffMethod = "SHIFTED_FORCE";
17 skinThickness = 1.0;
18
19 ensemble = "NVE";
20 dt = 1.0;
21 runTime = 10000;
22
23 sampleTime = 500;
24 statusTime = 10;
25
26 thermalTime = 1000.0;
27 tempSet = "false";
28 </MetaData>
29 <Snapshot>
30 <FrameData>
31 Time: 10000
32 Hmat: {{ 30.482111, 0, 0 }, { 0, 30.482111, 0 }, { 0, 0, 30.482111 }}
33 Thermostat: 6.69307e-07 , 0.0146392
34 Barostat: {{ 0, 0, 0 }, { 0, 0, 0 }, { 0, 0, 0 }}
35 </FrameData>
36 <StuntDoubles>
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537 </StuntDoubles>
538 </Snapshot>
539 </OpenMD>