Revision: | 2 |
Committed: | Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter |
Original Path: | trunk/samples/argon/argonNVT.md |
File size: | 313 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 = 108; |
7 | } |
8 | |
9 | initialConfig = "./argonNVT.in"; |
10 | |
11 | forceField = "LJ"; |
12 | targetTemp = 119.8; |
13 | density = 0.02143659; |
14 | |
15 | ensemble = "NVT"; |
16 | tauThermostat = 1e3; |
17 | dt = 1.0; |
18 | runTime = 1e4; |
19 | |
20 | sampleTime = 10; |
21 | statusTime = 1; |
22 | |
23 | thermalTime = 100.0; |
24 | tempSet = "false"; |