| Revision: | 937 |
| Committed: | Sun Apr 16 02:51:16 2006 UTC (19 years, 3 months ago) by chrisfen |
| Original Path: | trunk/samples/argon/500.md |
| File size: | 368 byte(s) |
| Log Message: | added a cubic spline to switcheroo |
| # | Content |
|---|---|
| 1 | #include "lj.md" |
| 2 | |
| 3 | |
| 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 | cutoffRadius = 9.0; |
| 15 | switchingRadius = 7.7; |
| 16 | switchingFunctionType = "fifth_order_polynomial"; |
| 17 | |
| 18 | ensemble = "NVE"; |
| 19 | dt = 1.0; |
| 20 | runTime = 1e4; |
| 21 | |
| 22 | sampleTime = 100; |
| 23 | statusTime = 1; |
| 24 | |
| 25 | thermalTime = 1000.0; |
| 26 | tempSet = "false"; |