Revision: | 2471 |
Committed: | Fri Dec 2 17:01:55 2005 UTC (18 years, 9 months ago) by gezelter |
File size: | 355 byte(s) |
Log Message: | Added Gay-Berne / Argon test case for the cutoff policies |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2471 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | nComponents = 2; | ||
5 | component{ | ||
6 | type = "linear"; | ||
7 | nMol = 1; | ||
8 | } | ||
9 | component{ | ||
10 | type = "Ar"; | ||
11 | nMol =863; | ||
12 | } | ||
13 | |||
14 | |||
15 | initialConfig = "./gb-ar.in"; | ||
16 | |||
17 | ensemble = NVE; | ||
18 | forceField = "DUFF"; | ||
19 | cutoffPolicy = "mix"; | ||
20 | |||
21 | dt = 1; | ||
22 | runTime = 1e4; | ||
23 | useInitialTime = "false"; | ||
24 | useInitialExtendedSystemState = "false"; | ||
25 | |||
26 | sampleTime = 100; | ||
27 | statusTime = 1; |