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root/OpenMD/branches/development/samples/water/dimer/tap.md
Revision: 790
Committed: Tue Dec 6 16:49:59 2005 UTC (19 years, 7 months ago) by tim
Original Path: trunk/samples/water/dimer/tap.md
File size: 445 byte(s)
Log Message:
remove deprecated keywords from samples

File Contents

# User Rev Content
1 chrisfen 551 #include "water.md"
2    
3 tim 790
4 chrisfen 551 component{
5     type = "TAP";
6     nMol = 2;
7     }
8    
9     initialConfig = "./tap.in";
10    
11    
12     ensemble = NVT;
13 chrisfen 627 forceField = "DUFF";
14 chrisfen 639 electrostaticSummationMethod = "none";
15 chrisfen 551 dielectric = 80.0;
16     cutoffRadius = 9.0;
17     switchingRadius = 7.8;
18    
19    
20 tim 790
21 chrisfen 551 targetTemp = 0.1;
22     targetPressure = 1.0;
23    
24     tauThermostat = 1e4;
25     tauBarostat = 1e4;
26    
27     dt = 1.0;
28     runTime = 1e4;
29    
30     sampleTime = 1e2;
31     statusTime = 10;
32     useInitialTime = "false";
33     useInitialExtendedSystemState = "false";