Revision: | 1334 |
Committed: | Fri Jul 16 18:58:03 2004 UTC (20 years, 2 months ago) by gezelter |
File size: | 293 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 = 500; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./500.eor"; | ||
10 | |||
11 | forceField = "LJ"; | ||
12 | targetTemp = 135.1344; | ||
13 | tauThermostat = 1e3; | ||
14 | |||
15 | ensemble = "NVT"; | ||
16 | dt = 1.0; | ||
17 | runTime = 1e5; | ||
18 | |||
19 | sampleTime = 100; | ||
20 | statusTime = 1; | ||
21 | |||
22 | thermalTime = 1000.0; | ||
23 | tempSet = "false"; |