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Add per_site, per_charge and return_annealing_values options to FermiSolver methods, for more flexible output formatting.
Add fixed_elements option to optimise() and scan_chemical_potential_grid()
Add plot_chempot_heatmap method to DefectThermodynamics, for convenience.
Add include_unique_wyckoffs option to get_interstitial_sites (see #140)
Avoid interstitial duplication in mixed-valence systems.
Fixes and extensions for py-sc-fermiFermiSolver backend: degeneracy handling, delta_gap handling, and multiplicity scaling with non-primitive DOS cells.
Numerical stability improvements: extend brentq Fermi level search limits, cap defect concentration bounds, and custom ConvexHull code for chemical potential spaces.
Handle magnetization parsing for cases with N_spin_down > N_spin_up.
Update symmetry_preference to relative symm_pref_dist_factor for more consistent behaviour across systems.
Update interstitial clustering method to centroid to avoid over-daisy-chaining.
Default to most common elemental oxidation states when guessing fails (following SnB approach).
Smart n_points estimation for ChemicalPotentialGrid.get_grid().
Update spglib error handling for compatibility with >=2.7.
Make pydefect a softer dependency, minimising imports.
Modularise DefectsGenerator internals for future extensibility (i.e. complexes...).