| # | Line 7 | Line 7 | begin Options | |
|---|---|---|
| 7 | DistanceMixingRule Arithmetic | |
| 8 | EnergyMixingRule Geometric | |
| 9 | // energy unit are eV. Convert to kcal/mol | |
| 10 | < | EnergyUnitScaling 23.0605423 |
| 10 | > | MetallicEnergyUnitScaling 23.0605423 |
| 11 | end Options | |
| 12 | ||
| 13 | ||
| 14 | < | begin AtomTypes |
| 14 | > | begin BaseAtomTypes |
| 15 | //Name mass(amu) | |
| 16 | Ni 58.710 | |
| 17 | Cu 63.550 | |
| # | Line 21 | Line 21 | Au 196.97 | |
| 21 | Ir 192.217 | |
| 22 | Pt 195.09 | |
| 23 | Au 196.97 | |
| 24 | < | end AtomTypes |
| 24 | > | end BaseAtomTypes |
| 25 | ||
| 26 | ||
| 27 | begin SCAtomTypes | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |