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[refactor] core density is computed in Density class #1041

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@toxa81 toxa81 commented Dec 19, 2024

The idea is that the unit cell, atoms and atom classes should be immutable once the simulation context is created. Right not this is not the case as atoms and atom symmetry classes are used to generate radial functions, radial integrals and core density. This is the first step: move generation of core density to Density class itself.

@toxa81 toxa81 marked this pull request as ready for review January 1, 2025 23:26
@toxa81 toxa81 changed the title PoC: core density is computed in Density class [refactor] core density is computed in Density class Jan 1, 2025
@toxa81 toxa81 requested a review from simonpintarelli January 5, 2025 19:43
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