FAIRmat-NFDI / nomad-simulations / 23314046720

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Refactor SCF quantites and convergence (#260)

Refactor convergence target system with flexible units

- Annotation-based path registry with flexible_unit and Pint quantities
- 5 target types: Energy, Force, Potential, Charge, Wavefunction  
- Two-level convergence (workflow + SCF)
- Delta computation framework in Outputs
- Tests: 60 → 51 (removed weak cases)
- Docs: convergence.md guide
- Fixes: unit handling, GUI serialization

TODOs: is_single_point_converged array shape, move single_point_convergence_targets to base

13 files: +2,111, -494

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