| Revision: | 1594 |
| Committed: | Tue Jul 19 16:45:30 2011 UTC (13 years, 11 months ago) by chuckv |
| File size: | 457 byte(s) |
| Log Message: | Branching from main development branch to OpenMP dev version at dev branch 1593 |
| # | 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 | tim | 244 | Au 196.97 |
| 8 | Ag 107.87 | ||
| 9 | Cu 63.550 | ||
| 10 | Ni 58.710 | ||
| 11 | Pd 106.40 | ||
| 12 | Pt 195.09 | ||
| 13 | gezelter | 1279 | end BaseAtomTypes |
| 14 | gezelter | 2 | |
| 15 | tim | 244 | begin EAMAtomTypes |
| 16 | Au Au.u6.funcfl | ||
| 17 | Ag Ag.u6.funcfl | ||
| 18 | Cu Cu.u6.funcfl | ||
| 19 | Ni Ni.u6.funcfl | ||
| 20 | Pd Pd.u6.funcfl | ||
| 21 | Pt Pt.u6.funcfl | ||
| 22 | end EAMAtomTypes |