Revision: | 1490 |
Committed: | Fri Sep 24 04:16:43 2004 UTC (19 years, 11 months ago) by gezelter |
File size: | 418 byte(s) |
Log Message: | Import of OOPSE v. 2.0 |
# | Content |
---|---|
1 | #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"; |