| 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. |
| # | Content |
|---|---|
| 1 | <OpenMD version=1> |
| 2 | <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 | </OpenMD> |