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use gather
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@vchuravy
vchuravy committed Jun 24, 2024
1 parent 03027f4 commit 5fc60ee
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/lj_forces.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -42,5 +42,5 @@ command(lmp, "compute pot_e all pe")
command(lmp, "run 0")

# extract output
forces = extract_atom(lmp, "f")
energies = extract_compute(lmp, "pot_e", LAMMPS.API.LMP_STYLE_GLOBAL, LAMMPS.API.LMP_TYPE_SCALAR)
forces = gather(lmp, "f")
energies = gather(lmp, "pot_e")

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