Revision: | 2802 |
Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter |
File size: | 389 byte(s) |
Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2369 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | tim | 2489 | |
5 | gezelter | 2369 | component{ |
6 | type = "C"; | ||
7 | nMol =1; | ||
8 | } | ||
9 | component{ | ||
10 | gezelter | 2802 | type = "GBlinear"; |
11 | gezelter | 2369 | nMol = 1; |
12 | } | ||
13 | |||
14 | |||
15 | initialConfig = "./gbRotRoundX.in"; | ||
16 | |||
17 | ensemble = NVE; | ||
18 | forceField = "DUFF"; | ||
19 | |||
20 | cutoffRadius = 20.0; | ||
21 | switchingRadius = 18.0; | ||
22 | dt = 1.0; | ||
23 | runTime = 1e5; | ||
24 | useInitialTime = "false"; | ||
25 | useInitialExtendedSystemState = "false"; | ||
26 | |||
27 | thermalTime = 10; | ||
28 | sampleTime = 100; | ||
29 | statusTime = 100; |