| Revision: | 1670 |
| Committed: | Fri Jan 27 19:07:19 2012 UTC (13 years, 10 months ago) by chuckv |
| File size: | 309 byte(s) |
| Log Message: | Adding experimental branch for calculation of the heatflux based on old version of OpenMD. This will need to be ported to the development branch later. |
| # | 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 | forceField = "SC"; | ||
| 11 | targetTemp = 1000.0; | ||
| 12 | |||
| 13 | ensemble = "NVE"; | ||
| 14 | dt = 1.0; | ||
| 15 | runTime = 1000.0; | ||
| 16 | |||
| 17 | usePeriodicBoundaryConditions = "false"; | ||
| 18 | |||
| 19 | sampleTime = 50.0; | ||
| 20 | |||
| 21 | thermalTime = 100.0; | ||
| 22 | tempSet = "false"; | ||
| 23 | </MetaData> | ||
| 24 | gezelter | 1390 | </OpenMD> |