| Revision: | 687 |
| Committed: | Tue Oct 18 23:03:27 2005 UTC (19 years, 6 months ago) by gezelter |
| Original Path: | trunk/samples/cutoff/max.md |
| File size: | 272 byte(s) |
| Log Message: | added samples for the cutoff methods that Yang Zheng has been working on |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 687 | #include "lj.md" |
| 2 | |||
| 3 | nComponents = 2; | ||
| 4 | component{ | ||
| 5 | type = "Kr"; | ||
| 6 | nMol = 9; | ||
| 7 | } | ||
| 8 | component{ | ||
| 9 | type = "He"; | ||
| 10 | nMol = 855; | ||
| 11 | } | ||
| 12 | |||
| 13 | initialConfig = "./cutoff_test.in"; | ||
| 14 | cutoffPolicy = "max"; | ||
| 15 | |||
| 16 | forceField = "LJ"; | ||
| 17 | |||
| 18 | ensemble = "NVE"; | ||
| 19 | dt = 1; | ||
| 20 | runTime = 1e3; | ||
| 21 | |||
| 22 | sampleTime = 10; | ||
| 23 | statusTime = 1; |