Issue parsing regular xyz file from LAMMPS

[swyant]

Hi @mfherbst,

I'm still running into errors when parsing a simple .xyz file. The xyz file was generated from LAMMPS at the end of an MD trajectory and can be obtained here

Running

using AtomsIO 
sys1 = load_system("./dump_final.xyz")

generates the following error:

Failed to parse string at pos 7
ERROR: BoundsError: attempt to access 0-element Vector{Any} at index [0]
Stacktrace:
 [1] getindex
   @ ./array.jl:924 [inlined]
 [2] last
   @ ./abstractarray.jl:479 [inlined]
 [3] load_system(::ExtxyzParser, file::String, index::Nothing)
   @ AtomsIO ~/.julia/packages/AtomsIO/gPmVc/src/extxyz.jl:17
 [4] load_system(file::String, index::Nothing; kwargs::Base.Pairs{Symbol, Union{}, Tuple{}, NamedTuple{(), Tuple{}}})
   @ AtomsIO ~/.julia/packages/AtomsIO/gPmVc/src/saveload.jl:43
 [5] load_system (repeats 2 times)
   @ ~/.julia/packages/AtomsIO/gPmVc/src/saveload.jl:42 [inlined]
 [6] top-level scope
   @ ~/cesmix/exploratory/public/interpot_comparisons/lj/atomsio_tests/new_version_nopluto/new_atomsio_tests.jl:3

I've tried using both the tagged 0.2.0 release, as well as with the most recent commit (#aac46e8).

Thanks!

[swyant]

Also Julia 1.8.5 on MacOS 11.6.2 if you need it

[mfherbst]

Thanks for reporting. I can reproduce it, but it seems like an issue in ExtXYZ. I'll report it there.

[mfherbst]

I will also harden AtomsIO a bit against such issues in the future with a clearer error message, see #20