| Revision: | 1420 |
| Committed: | Tue Jul 27 18:25:02 2004 UTC (20 years, 1 month ago) by gezelter |
| File size: | 418 byte(s) |
| Log Message: | BASS eradication project (part 4) |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1420 | #include "metals.md" |
| 2 | |||
| 3 | nComponents = 2; | ||
| 4 | component{ | ||
| 5 | type = "Ag"; | ||
| 6 | nMol = 1436; | ||
| 7 | } | ||
| 8 | component{ | ||
| 9 | type = "Au"; | ||
| 10 | nMol = 490; | ||
| 11 | } | ||
| 12 | |||
| 13 | initialConfig = "./Au-Core-Ag-Shell_Nanoparticle.in"; | ||
| 14 | |||
| 15 | forceField = "EAM"; | ||
| 16 | forceFieldVariant = "u3"; | ||
| 17 | targetTemp = 1000.0; | ||
| 18 | density = 0.02143659; | ||
| 19 | |||
| 20 | ensemble = "NVE"; | ||
| 21 | dt = 1.0; | ||
| 22 | runTime = 1000.0; | ||
| 23 | |||
| 24 | usePeriodicBoundaryConditions = "false"; | ||
| 25 | |||
| 26 | sampleTime = 5.0; | ||
| 27 | |||
| 28 | thermalTime = 100.0; | ||
| 29 | tempSet = "false"; |