Hello,
I’m having trouble using the [AI]REBO pair style in the recent versions of LAMMPS. Even my old input files that used to work until at least March now return “ERROR: All pair coeffs are not set”, e.g. this script:
units metal
boundary m m m
pair_style airebo 3.0
lattice sc 1
region _box block 0 2 0 2 0 2
create_box 1 _box
pair_coeff * * CH.airebo C
create_atoms 1 region _box
mass 1 12.011
run 0
produces the following output:
LAMMPS (29 Jul 2011)
units metal
boundary m m m
pair_style airebo 3.0
lattice sc 1
Lattice spacing in x,y,z = 1 1 1
region _box block 0 2 0 2 0 2
create_box 1 _box
Created orthogonal box = (0 0 0) to (2 2 2)
1 by 1 by 1 processor grid
pair_coeff * * CH.airebo C
create_atoms 1 region _box
Created 8 atoms
mass 1 12.011
run 0
WARNING: No fixes defined, atoms won’t move
ERROR: All pair coeffs are not set
whereas a calculation with the 31 Mar version finishes without the error. Looking at the changes list I can’t see anything particularly relevant, nor was I able to find any mentions of this on the mailing list. Could anyone suggest where’s the mistake?
Thanks in advance,
Vasilii