| Revision: | 244 |
| Committed: | Tue Jan 11 16:36:50 2005 UTC (20 years, 3 months ago) by tim |
| File size: | 449 byte(s) |
| Log Message: | adding new format of EAM force field |
| # | 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 | tim | 244 | begin AtomTypes |
| 7 | Au 196.97 | ||
| 8 | Ag 107.87 | ||
| 9 | Cu 63.550 | ||
| 10 | Ni 58.710 | ||
| 11 | Pd 106.40 | ||
| 12 | Pt 195.09 | ||
| 13 | end AtomTypes | ||
| 14 | gezelter | 2 | |
| 15 | tim | 244 | begin EAMAtomTypes |
| 16 | Au Au.u3.funcfl | ||
| 17 | Ag Ag.u3.funcfl | ||
| 18 | Cu Cu.u3.funcfl | ||
| 19 | Ni Ni.u3.funcfl | ||
| 20 | Pd Pd.u3.funcfl | ||
| 21 | Pt Pt.u3.funcfl | ||
| 22 | end EAMAtomTypes |