| Revision: | 1370 |
| Committed: | Wed Jul 21 21:53:07 2004 UTC (19 years, 11 months ago) by chuckv |
| File size: | 369 byte(s) |
| Log Message: | Added more metal sample to OOPSE for bulk simulations. |
| # | Content |
|---|---|
| 1 | #include "metals.mdl" |
| 2 | |
| 3 | nComponents = 1; |
| 4 | component{ |
| 5 | type = "Au"; |
| 6 | nMol = 1926; |
| 7 | } |
| 8 | |
| 9 | initialConfig = "./init_Au_nanoparticle.in"; |
| 10 | |
| 11 | forceField = "EAM"; |
| 12 | forceFieldVariant = "VC"; |
| 13 | targetTemp = 1000.0; |
| 14 | density = 0.02143659; |
| 15 | |
| 16 | ensemble = "NVE"; |
| 17 | dt = 1.0; |
| 18 | runTime = 1000.0; |
| 19 | |
| 20 | usePeriodicBoundaryConditions = "false"; |
| 21 | |
| 22 | sampleTime = 50.0; |
| 23 | |
| 24 | thermalTime = 100.0; |
| 25 | tempSet = "false"; |