I keep getting the error “Incorrect args for pair coefficients” when I run my input script (part of which is below). I really don’t know what could be wrong - I’ve looked at the documentation and the args for pair_coeff look correct. The path to the potential file is also right. Why am I getting this error?
lattice hcp 4
region box block 0 1 0 1 0 1 units lattice
create_box 1 box
lattice hcp 4 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 box
pair_style eam/fs
pair_coeff * * /potentials/Zr_#2.eam.fs Zr
I keep getting the error "Incorrect args for pair coefficients" when I run
my input script (part of which is below). I really don't know what could be
wrong - I've looked at the documentation and the args for pair_coeff look
correct. The path to the potential file is also right. Why am I getting
this error?
lattice hcp 4
region box block 0 1 0 1 0 1 units lattice
create_box 1 box
lattice hcp 4 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 box
pair_style eam/fs
pair_coeff * * /potentials/Zr_#2.eam.fs Zr
using '#' is a bad choice for the potential file name.
LAMMPS will interpret an the # as a comment character
and ignore the rest of the line starting with the comment char.
please try renaming the potential file.
axel.