Revision: | 2386 |
Committed: | Tue Oct 18 23:03:27 2005 UTC (18 years, 10 months ago) by gezelter |
File size: | 272 byte(s) |
Log Message: | added samples for the cutoff methods that Yang Zheng has been working on |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2386 | #include "lj.md" |
2 | |||
3 | nComponents = 2; | ||
4 | component{ | ||
5 | type = "Kr"; | ||
6 | nMol = 9; | ||
7 | } | ||
8 | component{ | ||
9 | type = "He"; | ||
10 | nMol = 855; | ||
11 | } | ||
12 | |||
13 | initialConfig = "./cutoff_test.in"; | ||
14 | cutoffPolicy = "max"; | ||
15 | |||
16 | forceField = "LJ"; | ||
17 | |||
18 | ensemble = "NVE"; | ||
19 | dt = 1; | ||
20 | runTime = 1e3; | ||
21 | |||
22 | sampleTime = 10; | ||
23 | statusTime = 1; |