| # | Line 10 | Line 10 | end Options | |
|---|---|---|
| 10 | cutoffPolicy MIX | |
| 11 | end Options | |
| 12 | ||
| 13 | < | begin AtomTypes |
| 13 | > | begin BaseAtomTypes |
| 14 | //Name mass(amu) | |
| 15 | Ni 58.710 | |
| 16 | Cu 63.550 | |
| # | Line 22 | Line 22 | Al 26.981538 | |
| 22 | Au 196.97 | |
| 23 | Pb 207.2 | |
| 24 | Al 26.981538 | |
| 25 | < | end AtomTypes |
| 25 | > | end BaseAtomTypes |
| 26 | ||
| 27 | + | begin AtomTypes |
| 28 | ||
| 29 | + | end AtomTypes |
| 30 | + | |
| 31 | begin SCAtomTypes | |
| 32 | // Name epsilon(eV) c m n alpha(angstroms) | |
| 33 | Ni 0.015714 39.755 6.0 9.0 3.52 | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |