Revision: | 403 |
Committed: | Wed Mar 26 15:37:05 2003 UTC (21 years, 5 months ago) by chuckv |
File size: | 284 byte(s) |
Log Message: | Fixes for Parallel thermalization |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 397 | #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 | chuckv | 403 | runTime = 1000.0; |
18 | gezelter | 397 | |
19 | chuckv | 403 | sampleTime = 10.0; |
20 | thermalTime = 100.0; | ||
21 | gezelter | 397 | |
22 | chuckv | 403 | tempSet = "true"; |