.gitignore
.pylintrc
CMakeLists.txt
LICENSE
README.md
pyproject.toml
requirements.txt
setup.py
.github/workflows/gha.yml
aided/__init__.py
aided/__main__.py
aided/cli.py
aided/version.py
aided.egg-info/PKG-INFO
aided.egg-info/SOURCES.txt
aided.egg-info/dependency_links.txt
aided.egg-info/entry_points.txt
aided.egg-info/requires.txt
aided.egg-info/top_level.txt
aided/core/__init__.py
aided/core/edrep.py
aided/core/edwfn.py
aided/core/edwfns.py
aided/core/units.py
aided/core/utils.py
aided/core/wfn/__init__.py
aided/core/wfn/wfn_rep.py
aided/core/wfn/wfns_rep.py
aided/io/__init__.py
aided/io/read_wfn.py
aided/io/utils.py
aided/math/__init__.py
aided/math/geometry.py
aided/math/primitives.py
contrib/imgs/bader_ed.gif
contrib/imgs/bader_gradient.gif
contrib/imgs/bader_szf_ed.gif
contrib/imgs/bader_szf_gradient.gif
contrib/imgs/workflows/aided_workflows.png
examples/save_pickles/.gitignore
examples/save_pickles/pickles.py
src/CMakeLists.txt
src/core/CMakeLists.txt
src/core/edwfn.cpp
src/core/edwfn.h
src/core/edwfn_bindings.cpp
src/math/CMakeLists.txt
src/math/primitives.h
src/math/primitives_bindings.cpp
src/pybind_utils/CMakeLists.txt
src/pybind_utils/pybind_utils.h
test/__init__.py
test/run_tests.sh
test/data/wfns/formamide/form000001.wfn
test/data/wfns/formamide/form000002.wfn
test/data/wfns/formamide/form000003.wfn
test/data/wfns/formamide/form000004.wfn
test/data/wfns/formamide/form000005.wfn
test/data/wfns/formamide/form000006.wfn
test/data/wfns/formamide/form000007.wfn
test/data/wfns/formamide/form000008.wfn
test/data/wfns/formamide/form000009.wfn
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test/speed_tests/__init__.py
test/speed_tests/run_speed_tests.sh
test/speed_tests/core/__init__.py
test/speed_tests/core/__main__.py
test/speed_tests/core/edwfn_test.py
test/speed_tests/core/math_test.py
test/unit_tests/__init__.py
test/unit_tests/cli_test.py
test/unit_tests/helper.py
test/unit_tests/core/__init__.py
test/unit_tests/core/core_utils_test.py
test/unit_tests/core/edwfn_test.py
test/unit_tests/core/edwfns_test.py
test/unit_tests/core/topological_features/__init__.py
test/unit_tests/core/topological_features/bader_surface_test.py
test/unit_tests/core/topological_features/bcps_test.py
test/unit_tests/io/__init__.py
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test/unit_tests/io/read_wfn_test.py
test/unit_tests/math/__init__.py
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test/validation/README.txt
test/validation/validation.txt