Revision: | 2214 |
Committed: | Wed Apr 27 20:14:03 2005 UTC (19 years, 4 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 |