Comments (1)
I think the only options I can think (that are in wide use) are L2 and unnormalized. I know L2 can be a little bit tricky depending on the normalization convention within a contraction. I would tend to say that supporting lots of options is fine (but also a lot of work), but I would err on the side of user-friendliness over generality. Perhaps that also suggests the normalization_conventions dictionary, especially if it harmonizes well with convert_conventions.
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Related Issues (20)
- Add CIF load_one HOT 2
- Add separate, more detailed section for the Input Writer? HOT 1
- Clarifications and documentation improvements in `iodata.basis`
- Functions to interpret basis sets: label-to-basis-index and basis-index-to-label
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- Fix `dump_one` and `dump_many` for SDF file format HOT 6
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