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electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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[refactor] Tidy symmetrization functions #859

Closed toxa81 closed 1 year ago

toxa81 commented 1 year ago

Gather all symmetrization functions in one place and make them standalone (not belonging to a class).

simonpintarelli commented 1 year ago

@toxa81 The .symmetrize.. functions are not used anymore python, it's ok to remove them. I've just deleted the commented lines.