| # | Line 3 | Line 3 | component{ | |
|---|---|---|
| 3 | nComponents = 1; | |
| 4 | component{ | |
| 5 | type = "Au"; | |
| 6 | < | nMol = 108; |
| 6 | > | nMol = 1926; |
| 7 | } | |
| 8 | ||
| 9 | < | initialConfig = "./init_au.eor"; |
| 9 | > | initialConfig = "./init_au.in"; |
| 10 | ||
| 11 | forceField = "EAM"; | |
| 12 | targetTemp = 119.8; | |
| # | Line 16 | Line 16 | sampleTime = 10.0; | |
| 16 | dt = 1.0; | |
| 17 | runTime = 1000.0; | |
| 18 | ||
| 19 | + | usePeriodicBoundaryConditions = "false"; |
| 20 | + | |
| 21 | sampleTime = 10.0; | |
| 22 | ||
| 23 | thermalTime = 100.0; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |