Revision: | 2386 |
Committed: | Tue Oct 18 23:03:27 2005 UTC (18 years, 10 months ago) by gezelter |
File size: | 280 byte(s) |
Log Message: | added samples for the cutoff methods that Yang Zheng has been working on |
# | Content |
---|---|
1 | #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 = "traditional"; |
15 | |
16 | forceField = "LJ"; |
17 | |
18 | ensemble = "NVE"; |
19 | |
20 | dt = 1; |
21 | runTime = 1e3; |
22 | sampleTime = 10; |
23 | statusTime = 1; |