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fixup! fixup! use gather
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vchuravy committed Jun 24, 2024
1 parent 2f48726 commit d7028b9
Showing 1 changed file with 1 addition and 4 deletions.
5 changes: 1 addition & 4 deletions examples/snap.jl
Original file line number Diff line number Diff line change
Expand Up @@ -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
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