| Revision: | 1490 |
| Committed: | Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter |
| File size: | 418 byte(s) |
| Log Message: | Import of OOPSE v. 2.0 |
| # | Content |
|---|---|
| 1 | #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"; |