The pos array should index from 1

chemfiles / Chemfiles.jl

Julia bindings to chemfiles

http://chemfiles.org/Chemfiles.jl/

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Closed Ruibin-Liu closed 2 years ago

Ruibin-Liu commented 2 years ago

If looping from 0, pos[1, i] will indexing 0 which is not used in Julia.

Luthaf commented 2 years ago

Thanks!