| Revision: | 781 |
| Committed: | Fri Dec 2 22:37:05 2005 UTC (19 years, 5 months ago) by gezelter |
| Original Path: | trunk/samples/cutoff/cutoff_test.md |
| File size: | 374 byte(s) |
| Log Message: | removing deprecated nAtoms and nComponents lines |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 661 | #include "lj.md" |
| 2 | |||
| 3 | component{ | ||
| 4 | type = "Kr"; | ||
| 5 | nMol = 9; | ||
| 6 | } | ||
| 7 | component{ | ||
| 8 | type = "He"; | ||
| 9 | nMol = 855; | ||
| 10 | } | ||
| 11 | |||
| 12 | initialConfig = "./cutoff_test.in"; | ||
| 13 | gezelter | 669 | cutoffPolicy = "mix"; |
| 14 | gezelter | 661 | |
| 15 | forceField = "LJ"; | ||
| 16 | gezelter | 669 | targetTemp = 5; |
| 17 | gezelter | 661 | targetPressure = 1; |
| 18 | tauThermostat = 1e3; | ||
| 19 | tauBarostat = 1e3; | ||
| 20 | |||
| 21 | gezelter | 669 | ensemble = "NVE"; |
| 22 | dt = 2; | ||
| 23 | gezelter | 661 | runTime = 1e5; |
| 24 | |||
| 25 | gezelter | 669 | sampleTime = 100; |
| 26 | statusTime = 1; | ||
| 27 | gezelter | 661 | |
| 28 | thermalTime = 1000.0; | ||
| 29 | tempSet = "false"; |