lammps/tools/eam_database

EAM database tool
Xiaowang Zhou (Sandia), xzhou at sandia.gov

based on this paper:

X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, Phys. Rev. B, 69,
144113 (2004).

This tool can be used to create an DYNAMO-formatted EAM
setfl file for alloy systems, using any combination 
of the elements discussed in the paper and listed in
the EAM_code file, namely:

Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, Zr

Steps:

1) compile create.f -> a.out  (e.g. gfortran create.f)
2) edit the input file EAM.input to list 2 or more desired elements to include
3) a.out < EAM.input will create an EAM *.set file
4) in DYNAMO or LAMMPS lingo, this is a setfl file
   that can be used with the LAMMPS pair_style eam/alloy command