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* Pass `VoronoiInterstitialGenerator` parameters through to `TopographyAnalyzer` (bugfix) * Pass `min_dist` from `VoronoiInterstitialGenerator` initialisation through to `InterstitialGenerator` superclass (bugfix) * Refactor `filter_colliding` to return coords _and_ index, for correct multiplicities (bugfix) * Refactor `multiplicies` to `multiplicities` (small typo) * Update type hint * Add `equivalent_sites` parameter to `Defect` objects and `target_frac_coords` parameter to `get_supercell_structure` to allow choice of generated defect site in supercell * Add `return_site` option to `get_supercell_structure` (useful information!) * Update supercell site setting for dummy species as well * Automatically bump `max_cell_range` to 2 in `TopographyAnalyzer` if `num_atoms < 5`, for accurate/complete Voronoi tessellation (small unit cells anyway so negligible cost!) * Use `oxi_state` of substituting specie in the host structure if present (when guessing oxi state of substitution defect) – i.e. antisite defects! * Add `target_frac_coords` and `return_site` to `DefectComplex` `get_supercell_structure` to make compatible with supertype `Defect` * Linting * Comment cleanup * Also return list of equivalent supercell sites if `return_sites` set to `True` * Use self.site if self.equivalent_sites is empty * Make Defect.equivalent_sites match element symbol for Defect.site (rather than Defect.defect_site) with `Substitution` defects * Fix typo * Remove oxidation states from defect supercell sites (as well as overall returned structure) * Add tests for `target_frac_coords` with `get_supercell_structure` for `Interstitial` and `Substitution` * Add test for oxidation state guessing with (antisite) substitution defects
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