Revision: | 1369 |
Committed: | Wed Jul 21 21:46:26 2004 UTC (20 years, 1 month ago) by chuckv |
File size: | 369 byte(s) |
Log Message: | Added sample files for bulk metals and a bass file for both voter and FBD formulations of EAM. |
# | User | Rev | Content |
---|---|---|---|
1 | chuckv | 1369 | #include "metals.mdl" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "Au"; | ||
6 | nMol = 1926; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./init_Au_nanoparticle.in"; | ||
10 | |||
11 | forceField = "EAM"; | ||
12 | forceFieldVariant = "VC"; | ||
13 | targetTemp = 1000.0; | ||
14 | density = 0.02143659; | ||
15 | |||
16 | ensemble = "NVE"; | ||
17 | dt = 1.0; | ||
18 | runTime = 1000.0; | ||
19 | |||
20 | usePeriodicBoundaryConditions = "false"; | ||
21 | |||
22 | sampleTime = 50.0; | ||
23 | |||
24 | thermalTime = 100.0; | ||
25 | tempSet = "false"; |