| Revision: | 1465 |
| Committed: | Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv |
| File size: | 343 byte(s) |
| Log Message: | Creating busticated version of OpenMD |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1390 | <OpenMD version=1> |
| 2 | gezelter | 1067 | <MetaData> |
| 3 | #include "lj.md" | ||
| 4 | |||
| 5 | component{ | ||
| 6 | type = "Ar"; | ||
| 7 | nMol = 1; | ||
| 8 | } | ||
| 9 | |||
| 10 | forceField = "LJ"; | ||
| 11 | targetTemp = 135.1344; | ||
| 12 | tauThermostat = 1e3; | ||
| 13 | cutoffRadius = 15.0; | ||
| 14 | switchingRadius = 15.0; | ||
| 15 | |||
| 16 | ensemble = "NVT"; | ||
| 17 | dt = 1.0; | ||
| 18 | runTime = 1e5; | ||
| 19 | |||
| 20 | sampleTime = 100; | ||
| 21 | statusTime = 1; | ||
| 22 | |||
| 23 | thermalTime = 1000.0; | ||
| 24 | tempSet = "true"; | ||
| 25 | </MetaData> | ||
| 26 | gezelter | 1390 | </OpenMD> |