| Revision: | 1670 |
| Committed: | Fri Jan 27 19:07:19 2012 UTC (13 years, 7 months ago) by chuckv |
| File size: | 457 byte(s) |
| Log Message: | Adding experimental branch for calculation of the heatflux based on old version of OpenMD. This will need to be ported to the development branch later. |
| # | 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 | begin BaseAtomTypes |
| 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 BaseAtomTypes |
| 14 | |
| 15 | 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 |