LICENSE.txt
README.md
pyproject.toml
src/baderkit/__init__.py
src/baderkit/_base_analysis.py
src/baderkit.egg-info/PKG-INFO
src/baderkit.egg-info/SOURCES.txt
src/baderkit.egg-info/dependency_links.txt
src/baderkit.egg-info/entry_points.txt
src/baderkit.egg-info/requires.txt
src/baderkit.egg-info/top_level.txt
src/baderkit/bader/README.md
src/baderkit/bader/__init__.py
src/baderkit/bader/bader.py
src/baderkit/bader/methods/README.md
src/baderkit/bader/methods/__init__.py
src/baderkit/bader/methods/base.py
src/baderkit/bader/methods/neargrid/__init__.py
src/baderkit/bader/methods/neargrid/neargrid_method.py
src/baderkit/bader/methods/neargrid/neargrid_numba.py
src/baderkit/bader/methods/neargrid_old/neargrid_method.py
src/baderkit/bader/methods/neargrid_old/neargrid_numba.py
src/baderkit/bader/methods/neargrid_weight/__init__.py
src/baderkit/bader/methods/neargrid_weight/neargrid_weight_method.py
src/baderkit/bader/methods/neargrid_weight/neargrid_weight_numba.py
src/baderkit/bader/methods/ongrid/__init__.py
src/baderkit/bader/methods/ongrid/ongrid_method.py
src/baderkit/bader/methods/ongrid/ongrid_numba.py
src/baderkit/bader/methods/weight/__init__.py
src/baderkit/bader/methods/weight/weight_method.py
src/baderkit/bader/methods/weight/weight_numba.py
src/baderkit/critical_points/__init__.py
src/baderkit/critical_points/critical_points.py
src/baderkit/elf_analysis/__init__.py
src/baderkit/elf_analysis/base_elf_analysis.py
src/baderkit/elf_analysis/badelf/__init__.py
src/baderkit/elf_analysis/badelf/badelf.py
src/baderkit/elf_analysis/badelf/badelf_numba.py
src/baderkit/elf_analysis/badelf/methods.py
src/baderkit/elf_analysis/elf_labeler/__init__.py
src/baderkit/elf_analysis/elf_labeler/elf_labeler.py
src/baderkit/elf_analysis/elf_labeler/elf_labeler_numba.py
src/baderkit/elf_analysis/elf_labeler/enum_and_styling.py
src/baderkit/elf_analysis/elf_radii/__init__.py
src/baderkit/elf_analysis/elf_radii/elf_radii.py
src/baderkit/elf_analysis/elf_radii/elf_radii_numba.py
src/baderkit/elf_analysis/overlap/__init__.py
src/baderkit/elf_analysis/overlap/overlap.py
src/baderkit/elf_analysis/overlap/overlap_numba.py
src/baderkit/global_numba/README.md
src/baderkit/global_numba/basic.py
src/baderkit/global_numba/basins.py
src/baderkit/global_numba/betti_numbers.py
src/baderkit/global_numba/coord_env.py
src/baderkit/global_numba/critical_points.py
src/baderkit/global_numba/elf_construction.py
src/baderkit/global_numba/file_parsers.py
src/baderkit/global_numba/interpolation.py
src/baderkit/global_numba/largest_dist.py
src/baderkit/global_numba/persistence.py
src/baderkit/global_numba/transforms.py
src/baderkit/global_numba/union_find.py
src/baderkit/global_numba/voronoi.py
src/baderkit/plotting/__init__.py
src/baderkit/plotting/critical_points.py
src/baderkit/plotting/critical_points2.py
src/baderkit/plotting/bader/__init__.py
src/baderkit/plotting/bader/bader.py
src/baderkit/plotting/base/__init__.py
src/baderkit/plotting/base/base.py
src/baderkit/plotting/base/base_analysis.py
src/baderkit/plotting/base/defaults.py
src/baderkit/plotting/elf_analysis/__init__.py
src/baderkit/plotting/elf_analysis/badelf.py
src/baderkit/plotting/elf_analysis/elf_labeler.py
src/baderkit/plotting/elf_analysis/elf_radii.py
src/baderkit/plotting/elf_analysis/overlap.py
src/baderkit/plotting/toolkit/__init__.py
src/baderkit/plotting/toolkit/grid.py
src/baderkit/plotting/toolkit/structure.py
src/baderkit/toolkit/README.md
src/baderkit/toolkit/__init__.py
src/baderkit/toolkit/grid.py
src/baderkit/toolkit/interpolator.py
src/baderkit/toolkit/structure.py
src/baderkit/ui/cli/base.py
src/baderkit/ui/gui/__init__.py
src/baderkit/ui/gui/main.py
src/baderkit/ui/gui/stylesheets/custom.qss
src/baderkit/ui/gui/stylesheets/logo.svg
src/baderkit/ui/gui/tabs/__init__.py
src/baderkit/ui/gui/tabs/atom_tab.py
src/baderkit/ui/gui/tabs/bader_tab.py
src/baderkit/ui/gui/tabs/basin_tab.py
src/baderkit/ui/gui/tabs/export_tab.py
src/baderkit/ui/gui/tabs/style_tab.py
src/baderkit/ui/gui/tabs/surface_tab.py
src/baderkit/ui/gui/tabs/view_tab.py
src/baderkit/ui/gui/widgets/__init__.py
src/baderkit/ui/gui/widgets/centered_widget.py
src/baderkit/ui/gui/widgets/color_picker.py
src/baderkit/ui/gui/widgets/error_window.py
src/baderkit/ui/gui/widgets/file_picker.py
src/baderkit/ui/gui/widgets/float_select.py
src/baderkit/ui/gui/widgets/int_select.py
tests/test_badelf.py
tests/test_bader.py
tests/test_cli.py
tests/test_elf_labeler.py
tests/test_elf_radii.py
tests/test_overlap.py