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root/OpenMD/trunk/samples/Madelung/dipoles/Z_3.md
Revision: 1909
Committed: Mon Jul 22 18:08:16 2013 UTC (12 years ago) by gezelter
File size: 95363 byte(s)
Log Message: 
Updating samples.

File Contents

# Content
1 <OpenMD version=2>
2 <MetaData>
3 molecule{
4 name = "D";
5
6 atom[0]{
7 type = "D";
8 position(0.0, 0.0, 0.0);
9 orientation(0.0, 0.0, 0.0);
10 }
11 }
12 component{
13 type = "D";
14 nMol = 1000;
15 }
16 ensemble = NVE;
17 forceField = "Multipole";
18 cutoffMethod = "shifted_force";
19 electrostaticScreeningMethod = "damped";
20 cutoffRadius = 9.0;
21 dampingAlpha = 0.18;
22 statFileFormat = "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY|ELECTROSTATIC_POTENTIAL";
23 dt = 1.0;
24 runTime = 1.0;
25 sampleTime = 1.0;
26 statusTime = 1.0;
27 </MetaData>
28 <Snapshot>
29 <FrameData>
30 Time: 0
31 Hmat: {{20, 0, 0}, {0, 20, 0}, {0, 0, 20}}
32 </FrameData>
33 <StuntDoubles>
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1034 </StuntDoubles>
1035 </Snapshot>
1036 </OpenMD>