Revision: | 657 |
Committed: | Wed Jul 30 21:17:01 2003 UTC (21 years, 1 month ago) by chuckv |
File size: | 329 byte(s) |
Log Message: | More bug fixes for eam. |
# | User | Rev | Content |
---|---|---|---|
1 | chuckv | 654 | #include "metals.mdl" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "Au"; | ||
6 | chuckv | 657 | nMol = 1926; |
7 | chuckv | 654 | } |
8 | |||
9 | chuckv | 657 | initialConfig = "./init_au.in"; |
10 | chuckv | 654 | |
11 | forceField = "EAM"; | ||
12 | targetTemp = 119.8; | ||
13 | density = 0.02143659; | ||
14 | |||
15 | ensemble = "NVE"; | ||
16 | dt = 1.0; | ||
17 | runTime = 1000.0; | ||
18 | |||
19 | chuckv | 657 | usePeriodicBoundaryConditions = "false"; |
20 | |||
21 | chuckv | 654 | sampleTime = 10.0; |
22 | |||
23 | thermalTime = 100.0; | ||
24 | tempSet = "false"; |