| Revision: | 688 |
| Committed: | Tue Aug 12 18:40:31 2003 UTC (20 years, 10 months ago) by gezelter |
| File size: | 388 byte(s) |
| Log Message: | formatting fixes and new atypes in LJFF |
| # | Content |
|---|---|
| 1 | ! 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 | #AtomTypes |
| 7 | !Atom mass Potential param filename |
| 8 | |
| 9 | Au 196.97 auu3.eam |
| 10 | Ag 107.87 agu3.eam |
| 11 | Cu 63.550 cuu3.eam |
| 12 | Ni 58.710 niu3.eam |
| 13 | Pd 106.40 pdu3.eam |
| 14 | Pt 195.09 ptu3.eam |