Revision: | 2 |
Committed: | Fri Sep 24 04:16:43 2004 UTC (20 years, 8 months ago) by gezelter |
Original Path: | trunk/samples/argon/ar864.md |
File size: | 337 byte(s) |
Log Message: | Import of OOPSE v. 2.0 |
# | Content |
---|---|
1 | #include "lj.md" |
2 | |
3 | nComponents = 1; |
4 | component{ |
5 | type = "Ar"; |
6 | nMol = 864; |
7 | } |
8 | |
9 | initialConfig = "./ar864.in"; |
10 | |
11 | forceField = "LJ"; |
12 | targetTemp = 135.1344; |
13 | tauThermostat = 1e3; |
14 | cutoffRadius = 15.0; |
15 | switchingRadius = 15.0; |
16 | |
17 | ensemble = "NVT"; |
18 | dt = 1.0; |
19 | runTime = 1e5; |
20 | |
21 | sampleTime = 100; |
22 | statusTime = 1; |
23 | |
24 | thermalTime = 1000.0; |
25 | tempSet = "true"; |