Revision: | 688 |
Committed: | Tue Aug 12 18:40:31 2003 UTC (21 years ago) by gezelter |
File size: | 388 byte(s) |
Log Message: | formatting fixes and new atypes in LJFF |
# | Content |
---|---|
1 | ! 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 | |
6 | #AtomTypes |
7 | !Atom mass Potential param filename |
8 | |
9 | 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 |