| Revision: | 1390 |
| Committed: | Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter |
| File size: | 424 byte(s) |
| Log Message: | Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4) |
| # | Content |
|---|---|
| 1 | <OpenMD version=1> |
| 2 | <MetaData> |
| 3 | #include "lj.md" |
| 4 | |
| 5 | component{ |
| 6 | type = "Ar"; |
| 7 | nMol = 1; |
| 8 | } |
| 9 | component{ |
| 10 | type = "Kr"; |
| 11 | nMol = 1; |
| 12 | } |
| 13 | component{ |
| 14 | type = "He"; |
| 15 | nMol = 1; |
| 16 | } |
| 17 | |
| 18 | |
| 19 | forceField = "LJ"; |
| 20 | targetTemp = 135.1344; |
| 21 | tauThermostat = 1e3; |
| 22 | cutoffRadius = 15.0; |
| 23 | switchingRadius = 15.0; |
| 24 | |
| 25 | ensemble = "NVT"; |
| 26 | dt = 1.0; |
| 27 | runTime = 1e5; |
| 28 | |
| 29 | sampleTime = 100; |
| 30 | statusTime = 1; |
| 31 | |
| 32 | thermalTime = 1000.0; |
| 33 | tempSet = "true"; |
| 34 | </MetaData> |
| 35 | </OpenMD> |