| Revision: | 2471 |
| Committed: | Fri Dec 2 17:01:55 2005 UTC (18 years, 7 months ago) by gezelter |
| File size: | 355 byte(s) |
| Log Message: | Added Gay-Berne / Argon test case for the cutoff policies |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 2471 | #include "gb.md" |
| 2 | #include "lj.md" | ||
| 3 | |||
| 4 | nComponents = 2; | ||
| 5 | component{ | ||
| 6 | type = "linear"; | ||
| 7 | nMol = 1; | ||
| 8 | } | ||
| 9 | component{ | ||
| 10 | type = "Ar"; | ||
| 11 | nMol =863; | ||
| 12 | } | ||
| 13 | |||
| 14 | |||
| 15 | initialConfig = "./gb-ar.in"; | ||
| 16 | |||
| 17 | ensemble = NVE; | ||
| 18 | forceField = "DUFF"; | ||
| 19 | cutoffPolicy = "max"; | ||
| 20 | |||
| 21 | dt = 1; | ||
| 22 | runTime = 1e4; | ||
| 23 | useInitialTime = "false"; | ||
| 24 | useInitialExtendedSystemState = "false"; | ||
| 25 | |||
| 26 | sampleTime = 100; | ||
| 27 | statusTime = 1; |