diff --git a/examples/snap.jl b/examples/snap.jl index 33358b8..ef94ba9 100644 --- a/examples/snap.jl +++ b/examples/snap.jl @@ -21,16 +21,13 @@ using LAMMPS const DATA = joinpath(dirname(pathof(LAMMPS)), "..", "examples", "example_GaN_data") function run_snap(lmp, path, rcut, twojmax) - read_data_str = "read_data " * path - - command(lmp, """ log none units metal boundary p p p atom_style atomic atom_modify map array - ead_data_st + read_data $path pair_style zero $rcut pair_coeff * * compute PE all pe