| Revision: | 2214 |
| Committed: | Wed Apr 27 20:14:03 2005 UTC (19 years, 2 months ago) by chrisfen |
| File size: | 364 byte(s) |
| Log Message: | Got rid of write statements and am closer to a working shapes |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | chrisfen | 2211 | begin AtomTypes |
| 2 | # Name mass (amu) | ||
| 3 | Ar 39.948 | ||
| 4 | chrisfen | 2214 | C 12.0107 |
| 5 | chrisfen | 2211 | end AtomTypes |
| 6 | |||
| 7 | begin LennardJonesAtomTypes | ||
| 8 | # Name epsilon sigma | ||
| 9 | Ar 0.238068461226 3.41 | ||
| 10 | chrisfen | 2214 | C 0.101745452544 3.35 |
| 11 | chrisfen | 2211 | end LennardJonesAtomTypes |
| 12 | |||
| 13 | begin ShapeAtomTypes | ||
| 14 | gezelter | 1649 | # shapeName shapeFile |
| 15 | linear linear.shape | ||
| 16 | chrisfen | 2211 | end ShapeAtomTypes |