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 |
# | 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 = "mix"; |
15 | |
16 | forceField = "LJ"; |
17 | targetTemp = 5; |
18 | targetPressure = 1; |
19 | tauThermostat = 1e3; |
20 | tauBarostat = 1e3; |
21 | |
22 | ensemble = "NVE"; |
23 | dt = 2; |
24 | runTime = 1e5; |
25 | |
26 | sampleTime = 100; |
27 | statusTime = 1; |
28 | |
29 | thermalTime = 1000.0; |
30 | tempSet = "false"; |