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JuliaAtoms / AtomicLevels.jl

https://juliaatoms.org/AtomicLevels.jl
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Reading/writing orbitals to/from file #75

Closed jagot closed 3 years ago

jagot commented 3 years ago

WIP, still remains to read/write spin-orbitals and configurations from/to files, as well as reading from/writing to text files

jagot commented 3 years ago

I think I'm happy with this now; it is not possible to read orbitals or configurations directly from a text file without specifying which kind we expect, i.e. we don't have a magic method read_orbital(s::AbstractString), but rather one has to explicitly parse(Orbital, s) or parse(SpinConfiguration{SpinOrbital{RelativisticOrbital}}, s).