"Set" command for alloy systems

Dear LAMMPS users,

I am trying to make a Cu9-Ag1 nanowire system.

When I use “set” command to assign Cu9:Ag1 composition, I am facing an error message.

Error: Illegal set command (…/set.cpp:409)

However, I don’t know what is a problem because the format of the set command seems ok.
Could you please let me know what the problem is?

Thank you!

Best regards,


units metal
boundary p p p
#atom_style atomic

#-------------------Atom definition--------------------
lattice fcc 3.597
region whole block 0 600 0 600 0 600 units box
create_box 2 whole
region NWs cylinder x 100 100 100 -0.5 600 units box
lattice fcc 3.597 orient x 1 1 0 orient y -1 1 0 orient z 0 0 1

create_atoms 1 region NWs
set region NWs type/ratio 2 0.1 12393
mass 1 63.546
mass 2 107.868

Most likely you are using an older version of LAMMPS that does not support the type/ratio keyword.
The type/ratio option is a rather recent addition. Older versions of LAMMPS only support type/fraction.


Thank you for your explanation.

2020년 2월 10일 (월) 오전 11:08, Axel Kohlmeyer <[email protected]>님이 작성: