| Revision: | 397 |
| Committed: | Tue Mar 25 01:06:10 2003 UTC (21 years, 3 months ago) by gezelter |
| File size: | 288 byte(s) |
| Log Message: | moved tests to samples |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 397 | #include "lj.mdl" |
| 2 | |||
| 3 | nComponents = 1; | ||
| 4 | component{ | ||
| 5 | type = "Ar"; | ||
| 6 | nMol = 108; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./init_argon.eor"; | ||
| 10 | |||
| 11 | forceField = "LJ"; | ||
| 12 | targetTemp = 119.8; | ||
| 13 | density = 0.02143659; | ||
| 14 | |||
| 15 | ensemble = "NVE"; | ||
| 16 | dt = 1.0; | ||
| 17 | runTime = 50000.0; | ||
| 18 | |||
| 19 | sampleTime = 500.0; | ||
| 20 | thermalTime = 1000.0; | ||
| 21 | |||
| 22 | tempSet = "false"; |