Revision: | 1420 |
Committed: | Tue Jul 27 18:25:02 2004 UTC (20 years, 1 month ago) by gezelter |
File size: | 418 byte(s) |
Log Message: | BASS eradication project (part 4) |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1420 | #include "metals.md" |
2 | |||
3 | nComponents = 2; | ||
4 | component{ | ||
5 | type = "Ag"; | ||
6 | nMol = 1436; | ||
7 | } | ||
8 | component{ | ||
9 | type = "Au"; | ||
10 | nMol = 490; | ||
11 | } | ||
12 | |||
13 | initialConfig = "./Au-Core-Ag-Shell_Nanoparticle.in"; | ||
14 | |||
15 | forceField = "EAM"; | ||
16 | forceFieldVariant = "u3"; | ||
17 | targetTemp = 1000.0; | ||
18 | density = 0.02143659; | ||
19 | |||
20 | ensemble = "NVE"; | ||
21 | dt = 1.0; | ||
22 | runTime = 1000.0; | ||
23 | |||
24 | usePeriodicBoundaryConditions = "false"; | ||
25 | |||
26 | sampleTime = 5.0; | ||
27 | |||
28 | thermalTime = 100.0; | ||
29 | tempSet = "false"; |