| Revision: | 723 |
| Committed: | Fri Nov 11 15:21:05 2005 UTC (19 years, 6 months ago) by chrisfen |
| Original Path: | trunk/samples/argon/500.md |
| File size: | 384 byte(s) |
| Log Message: | playing with switching functions |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 2 | #include "lj.md" |
| 2 | |||
| 3 | nComponents = 1; | ||
| 4 | component{ | ||
| 5 | type = "Ar"; | ||
| 6 | nMol = 500; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./500.in"; | ||
| 10 | |||
| 11 | forceField = "LJ"; | ||
| 12 | targetTemp = 135.1344; | ||
| 13 | tauThermostat = 1e3; | ||
| 14 | chrisfen | 723 | cutoffRadius = 9.0; |
| 15 | switchingRadius = 7.7; | ||
| 16 | switchingFunctionType = "fifth_order_polynomial"; | ||
| 17 | gezelter | 2 | |
| 18 | chrisfen | 594 | ensemble = "NVE"; |
| 19 | gezelter | 2 | dt = 1.0; |
| 20 | chrisfen | 723 | runTime = 1e3; |
| 21 | gezelter | 2 | |
| 22 | sampleTime = 100; | ||
| 23 | statusTime = 1; | ||
| 24 | |||
| 25 | thermalTime = 1000.0; | ||
| 26 | tempSet = "false"; |