Revision: | 688 |
Committed: | Tue Aug 12 18:40:31 2003 UTC (21 years, 1 month ago) by gezelter |
File size: | 388 byte(s) |
Log Message: | formatting fixes and new atypes in LJFF |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 688 | ! This is the forcefield file for the Embedded Atom Method Force Field (EAM_FF). |
2 | ! | ||
3 | ! There is only a section for AtomTypes which defines mass and the name | ||
4 | ! of the file which contains the rho(r), phi(r) and F[rho] functions. | ||
5 | chuckv | 500 | |
6 | #AtomTypes | ||
7 | gezelter | 688 | !Atom mass Potential param filename |
8 | chuckv | 500 | |
9 | gezelter | 688 | Au 196.97 auu3.eam |
10 | Ag 107.87 agu3.eam | ||
11 | Cu 63.550 cuu3.eam | ||
12 | Ni 58.710 niu3.eam | ||
13 | Pd 106.40 pdu3.eam | ||
14 | Pt 195.09 ptu3.eam |