Revision: | 2717 |
Committed: | Mon Apr 17 21:49:12 2006 UTC (18 years, 5 months ago) by gezelter |
File size: | 368 byte(s) |
Log Message: | Many performance improvements |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1490 | #include "lj.md" |
2 | |||
3 | tim | 2489 | |
4 | gezelter | 1490 | component{ |
5 | type = "Ar"; | ||
6 | nMol = 500; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./500.in"; | ||
10 | |||
11 | forceField = "LJ"; | ||
12 | targetTemp = 135.1344; | ||
13 | tauThermostat = 1e3; | ||
14 | chrisfen | 2422 | cutoffRadius = 9.0; |
15 | gezelter | 2717 | switchingRadius = 9.0; |
16 | chrisfen | 2422 | switchingFunctionType = "fifth_order_polynomial"; |
17 | gezelter | 1490 | |
18 | chrisfen | 2293 | ensemble = "NVE"; |
19 | gezelter | 1490 | dt = 1.0; |
20 | chrisfen | 2715 | runTime = 1e4; |
21 | gezelter | 1490 | |
22 | sampleTime = 100; | ||
23 | statusTime = 1; | ||
24 | |||
25 | thermalTime = 1000.0; | ||
26 | tempSet = "false"; |