Revision: | 654 |
Committed: | Fri Jul 25 20:05:26 2003 UTC (21 years, 1 month ago) by chuckv |
File size: | 287 byte(s) |
Log Message: | Added bass models for metals |
# | User | Rev | Content |
---|---|---|---|
1 | chuckv | 654 | #include "metals.mdl" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "Au"; | ||
6 | nMol = 108; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./init_au.eor"; | ||
10 | |||
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 | sampleTime = 10.0; | ||
20 | |||
21 | thermalTime = 100.0; | ||
22 | tempSet = "false"; |