├── .flake8 ├── .github └── workflows │ └── WhereWulff.yml ├── .gitignore ├── .pre-commit-config.yaml ├── LICENSE.md ├── README.md ├── WhereWulff ├── adsorption │ ├── MXide_adsorption.py │ └── adsorbate_configs.py ├── analysis │ ├── bulk_stability.py │ ├── equation_of_states.py │ ├── oer.py │ ├── surface_pourbaix.py │ └── wulff_shape.py ├── common │ └── glue_tasks.py ├── dft_settings │ └── settings.py ├── firetasks │ ├── handlers.py │ ├── oer_single_site.py │ ├── slab_ads.py │ ├── static_bulk.py │ └── surface_energy.py ├── fireworks │ ├── oer_single_site.py │ ├── optimize.py │ └── surface_pourbaix.py ├── launchers │ ├── bulkflows.py │ └── slabflows.py ├── reactivity │ └── oer.py ├── tests │ └── test.py └── workflows │ ├── bulk_stability.py │ ├── eos.py │ ├── oer.py │ ├── oer_single_site.py │ ├── slab_ads.py │ ├── static_bulk.py │ ├── surface_energy.py │ ├── surface_pourbaix.py │ └── wulff_shape.py ├── img ├── wherewulff_img.png └── wherewulff_logo.png ├── main_bulk.py ├── main_slab.py 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