| Revision: | 1447 |
| Committed: | Fri Jul 30 21:01:35 2004 UTC (20 years, 9 months ago) by gezelter |
| File size: | 409 byte(s) |
| Log Message: | Initial import of OOPSE sources into cvs tree |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1447 | #include "lj.md" |
| 2 | |||
| 3 | // A melting simulation. The conserved quantity won't be very well conserved | ||
| 4 | // until equilibrium has been reached. | ||
| 5 | |||
| 6 | nComponents = 1; | ||
| 7 | component{ | ||
| 8 | type = "Ar"; | ||
| 9 | nMol = 500; | ||
| 10 | } | ||
| 11 | |||
| 12 | initialConfig = "./500.in"; | ||
| 13 | |||
| 14 | forceField = "LJ"; | ||
| 15 | targetTemp = 135.1344; | ||
| 16 | tauThermostat = 1e3; | ||
| 17 | |||
| 18 | ensemble = "NVT"; | ||
| 19 | dt = 1.0; | ||
| 20 | runTime = 1e5; | ||
| 21 | |||
| 22 | sampleTime = 100; | ||
| 23 | statusTime = 1; | ||
| 24 | |||
| 25 | thermalTime = 1000.0; | ||
| 26 | tempSet = "false"; |