lammps 16种元素及其组合的势函数, 比较棒,详细资料如下：

http://lammps.sandia.gov/doc/Section_tools.html

9.9. eam database tool

The tools/eam_database directory contains a Fortran program that will generate EAM alloy setfl potential files for any combination of 16 elements: Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, Zr. The files can then be used with the pair_style eam/alloy command.

The tool is authored by Xiaowang Zhou (Sandia), xzhou at sandia.gov, and is based on his paper:

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

文件夹下，read me

 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

实际执行：

gfortran create.f>a.out
程序“gfortran”尚未安装。 您可以使用以下命令安装：
sudo apt install gfortran

按流程安装之后

gfortran create.f>a.out

在输入

./a.out < EAM.input

Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL（不知道怎么回事，但是可以使用）

然后：

pair_style eam/alloy

pair_coeff  * * FeCu.set Cu 

#我建立一个FeCu合金，先用Cu势计算