Revision: | 801 |
Committed: | Sat Oct 4 18:46:12 2003 UTC (20 years, 10 months ago) by chuckv |
File size: | 330 byte(s) |
Log Message: | Fixed bug in calc_eam. |
# | Content |
---|---|
1 | #include "metals.mdl" |
2 | |
3 | nComponents = 1; |
4 | component{ |
5 | type = "Au"; |
6 | nMol = 1926; |
7 | } |
8 | |
9 | initialConfig = "./init_au.in"; |
10 | |
11 | forceField = "EAM"; |
12 | targetTemp = 1000.0; |
13 | density = 0.02143659; |
14 | |
15 | ensemble = "NVE"; |
16 | dt = 1.0; |
17 | runTime = 1000.0; |
18 | |
19 | usePeriodicBoundaryConditions = "false"; |
20 | |
21 | sampleTime = 50.0; |
22 | |
23 | thermalTime = 100.0; |
24 | tempSet = "false"; |