Revision: | 1176 |
Committed: | Wed May 12 22:01:04 2004 UTC (20 years, 2 months ago) by tim |
File size: | 367 byte(s) |
Log Message: | add minimizer sample |
# | Content |
---|---|
1 | #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 | minimizer = CG; |
16 | minMaxIter = 5000; |
17 | minWriteFrq = 1; |
18 | minStepSize = 0.1; |
19 | ensemble = "NVE"; |
20 | dt = 1.0; |
21 | runTime = 1e4; |
22 | |
23 | sampleTime = 10; |
24 | statusTime = 1; |
25 | |
26 | thermalTime = 100.0; |
27 | tempSet = "false"; |