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JuliaAtoms / AtomicLevels.jl

https://juliaatoms.org/AtomicLevels.jl
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String macros for spin-orbitals and spin-configurations #41

Closed jagot closed 3 years ago

jagot commented 5 years ago

I find that I miss these from time to time, i.e. so"1s0α" and sc"1s0α 2p-1β", or something along those lines. Ties in with #24 and #36. #21 should probably be resolved before, to reduce confusion (alternative notation for the m quantum number of a spin-orbital could be e.g. sc"2p(-1)β").

mortenpi commented 3 years ago

The macro for orbitals was added in #88, but a macro for configurations is still on the TODO?

jagot commented 3 years ago

That's right; I wanted to generalize the current functionality for parse strings into configurations: https://github.com/JuliaAtoms/AtomicLevels.jl/blob/07120dc9790651306c2c1ca4b03d38a251854066/src/configurations.jl#L345-L363 to work with spin-configurations as well, but I got a bit stuck.