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Spawned from #281:
- more compact sets can be produced by trying out some random iterations; this is what my reference implementation in ERKALE does.
- in J. Chem. Theory Comput. 19, 6242 (2023) I showed that the automatically generated sets can be significantly contracted without losing accuracy; one just needs to do a singular value decomposition
- for straightforward ground state total energy calculations, one can throw out the high-angular momentum functions
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