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some stuff to get it to run on rocm
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leios committed Sep 9, 2023
1 parent 7c5597e commit aa2b13f
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion src/spatial.jl
Original file line number Diff line number Diff line change
Expand Up @@ -867,7 +867,8 @@ function scale_coords!(sys, scale_factor; ignore_molecules=false)
coords_nounits[i] = wrap_coords(
coords_nounits[i] .+ shift_vecs[mi] .- center_shifts[mi], boundary_nounits)
end
sys.coords = coords_nounits * coord_units
ArrayType = get_array_type(sys.coords)
sys.coords = ArrayType(coords_nounits * coord_units)
end
return sys
end

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