Revision: | 801 |
Committed: | Sat Oct 4 18:46:12 2003 UTC (20 years, 11 months ago) by chuckv |
File size: | 330 byte(s) |
Log Message: | Fixed bug in calc_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 | chuckv | 669 | targetTemp = 1000.0; |
13 | chuckv | 654 | density = 0.02143659; |
14 | |||
15 | ensemble = "NVE"; | ||
16 | dt = 1.0; | ||
17 | chuckv | 673 | runTime = 1000.0; |
18 | chuckv | 654 | |
19 | chuckv | 657 | usePeriodicBoundaryConditions = "false"; |
20 | |||
21 | chuckv | 801 | sampleTime = 50.0; |
22 | chuckv | 654 | |
23 | thermalTime = 100.0; | ||
24 | tempSet = "false"; |