Revision: | 1334 |
Committed: | Fri Jul 16 18:58:03 2004 UTC (20 years, 2 months ago) by gezelter |
File size: | 294 byte(s) |
Log Message: | Initial import of OOPSE-1.0 source tree |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1334 | #include "lj.mdl" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "Ar"; | ||
6 | nMol = 108; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./init_argon.eor"; | ||
10 | |||
11 | forceField = "LJ"; | ||
12 | targetTemp = 119.8; | ||
13 | density = 0.02143659; | ||
14 | |||
15 | ensemble = "NVE"; | ||
16 | dt = 1.0; | ||
17 | runTime = 2; | ||
18 | |||
19 | sampleTime = 10; | ||
20 | statusTime = 1; | ||
21 | |||
22 | thermalTime = 100.0; | ||
23 | tempSet = "false"; |