| Revision: | 1812 |
| Committed: | Fri Nov 16 21:18:42 2012 UTC (12 years, 5 months ago) by gezelter |
| File size: | 343 byte(s) |
| Log Message: | MERGE OpenMD trunk changes 1803:1811 into development branch |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1390 | <OpenMD version=1> |
| 2 | gezelter | 1076 | <MetaData> |
| 3 | #include "metals.md" | ||
| 4 | |||
| 5 | component{ | ||
| 6 | type = "Au"; | ||
| 7 | nMol = 1; | ||
| 8 | } | ||
| 9 | |||
| 10 | gezelter | 1812 | forceField = "SuttonChen"; |
| 11 | forceFieldVariant = "SC"; | ||
| 12 | gezelter | 1076 | targetTemp = 1000.0; |
| 13 | |||
| 14 | ensemble = "NVE"; | ||
| 15 | dt = 1.0; | ||
| 16 | runTime = 1000.0; | ||
| 17 | |||
| 18 | usePeriodicBoundaryConditions = "false"; | ||
| 19 | |||
| 20 | sampleTime = 50.0; | ||
| 21 | |||
| 22 | thermalTime = 100.0; | ||
| 23 | tempSet = "false"; | ||
| 24 | </MetaData> | ||
| 25 | gezelter | 1390 | </OpenMD> |