Revision: | 2368 |
Committed: | Fri Oct 14 16:05:34 2005 UTC (18 years, 10 months ago) by gezelter |
File size: | 391 byte(s) |
Log Message: | Adding some cutoff tests |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2360 | #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 | gezelter | 2368 | cutoffPolicy = "mix"; |
15 | gezelter | 2360 | |
16 | forceField = "LJ"; | ||
17 | gezelter | 2368 | targetTemp = 5; |
18 | gezelter | 2360 | targetPressure = 1; |
19 | tauThermostat = 1e3; | ||
20 | tauBarostat = 1e3; | ||
21 | |||
22 | gezelter | 2368 | ensemble = "NVE"; |
23 | dt = 2; | ||
24 | gezelter | 2360 | runTime = 1e5; |
25 | |||
26 | gezelter | 2368 | sampleTime = 100; |
27 | statusTime = 1; | ||
28 | gezelter | 2360 | |
29 | thermalTime = 1000.0; | ||
30 | tempSet = "false"; |