| Revision: | 1465 |
| Committed: | Fri Jul 9 23:08:25 2010 UTC (14 years, 10 months ago) by chuckv |
| File size: | 483 byte(s) |
| Log Message: | Creating busticated version of OpenMD |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 2 | ! This is the forcefield file for the Embedded Atom Method Force Field (EAM_FF). |
| 2 | ! | ||
| 3 | ! There is only a section for AtomTypes which defines mass and the name | ||
| 4 | ! of the file which contains the rho(r), phi(r) and F[rho] functions. | ||
| 5 | |||
| 6 | gezelter | 1279 | begin BaseAtomTypes |
| 7 | gezelter | 1449 | Al 26.98 |
| 8 | tim | 244 | Au 196.97 |
| 9 | Ag 107.87 | ||
| 10 | gezelter | 1435 | Cu 63.55 |
| 11 | Ni 58.71 | ||
| 12 | tim | 244 | Pd 106.40 |
| 13 | Pt 195.09 | ||
| 14 | gezelter | 1279 | end BaseAtomTypes |
| 15 | gezelter | 2 | |
| 16 | tim | 244 | begin EAMAtomTypes |
| 17 | gezelter | 1449 | Al Al.VC.funcfl |
| 18 | tim | 244 | Au Au.VC.funcfl |
| 19 | Ag Ag.VC.funcfl | ||
| 20 | Cu Cu.VC.funcfl | ||
| 21 | Ni Ni.VC.funcfl | ||
| 22 | Pd Pd.VC.funcfl | ||
| 23 | Pt Pt.VC.funcfl | ||
| 24 | end EAMAtomTypes |