Some ChemicalSpecies constructors create nneut=0

JuliaMolSim / AtomsBase.jl

A Julian abstract interface for atomic structures.

https://juliamolsim.github.io/AtomsBase.jl/

MIT License

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Closed cortner closed 2 months ago

cortner commented 2 months ago

julia> ChemicalSpecies(:Si)
Si

julia> ChemicalSpecies(14)
Si14

cortner commented 2 months ago

fixed by #114