.readthedocs.yaml
.scrutinizer.yml
.travis.yml
CHANGELOG.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements.txt
test_requirements.txt
docs/Makefile
docs/make.bat
docs/objects.inv
docs/objs.txt
docs/requirements.txt
docs/build/doctrees/Description_of_AMD_PDD.doctree
docs/build/doctrees/Getting_Started.doctree
docs/build/doctrees/Miscellaneous.doctree
docs/build/doctrees/Reading_cifs.doctree
docs/build/doctrees/Reading_from_the_CSD.doctree
docs/build/doctrees/Using_AMDs.doctree
docs/build/doctrees/Using_PDDs.doctree
docs/build/doctrees/amd.calculate.doctree
docs/build/doctrees/amd.compare.doctree
docs/build/doctrees/amd.io.doctree
docs/build/doctrees/amd.periodicset.doctree
docs/build/doctrees/amd.utils.doctree
docs/build/doctrees/environment.pickle
docs/build/doctrees/index.doctree
docs/build/html/objects.inv
docs/build/html/_sources/Description_of_AMD_PDD.rst.txt
docs/build/html/_sources/Getting_Started.rst.txt
docs/build/html/_sources/Miscellaneous.rst.txt
docs/build/html/_sources/Reading_cifs.rst.txt
docs/build/html/_sources/Reading_from_the_CSD.rst.txt
docs/build/html/_sources/Using_AMDs.rst.txt
docs/build/html/_sources/Using_PDDs.rst.txt
docs/build/html/_sources/amd.calculate.rst.txt
docs/build/html/_sources/amd.compare.rst.txt
docs/build/html/_sources/amd.io.rst.txt
docs/build/html/_sources/amd.periodicset.rst.txt
docs/build/html/_sources/amd.utils.rst.txt
docs/build/html/_sources/index.rst.txt
docs/source/Description_of_AMD_PDD.rst
docs/source/Getting_Started.rst
docs/source/Miscellaneous.rst
docs/source/Reading_cifs.rst
docs/source/Reading_from_the_CSD.rst
docs/source/Using_AMDs.rst
docs/source/Using_PDDs.rst
docs/source/amd.calculate.rst
docs/source/amd.compare.rst
docs/source/amd.io.rst
docs/source/amd.periodicset.rst
docs/source/amd.utils.rst
docs/source/conf.py
docs/source/index.rst
docs/source/_build/doctrees/Description_of_AMD_PDD.doctree
docs/source/_build/doctrees/Get_Started.doctree
docs/source/_build/doctrees/Miscellaneous.doctree
docs/source/_build/doctrees/Reading_cifs.doctree
docs/source/_build/doctrees/Reading_from_the_CSD.doctree
docs/source/_build/doctrees/Using_AMDs.doctree
docs/source/_build/doctrees/Using_PDDs.doctree
docs/source/_build/doctrees/amd.calculate.doctree
docs/source/_build/doctrees/amd.compare.doctree
docs/source/_build/doctrees/amd.io.doctree
docs/source/_build/doctrees/amd.periodicset.doctree
docs/source/_build/doctrees/amd.utils.doctree
docs/source/_build/doctrees/environment.pickle
docs/source/_build/doctrees/index.doctree
examples/T2_alpha.cif
examples/T2_experimental.cif
examples/T2_gamma.cif
examples/cubic.cif
examples/guide.ipynb
src/amd/__init__.py
src/amd/_emd.py
src/amd/_nns.py
src/amd/calculate.py
src/amd/cli.py
src/amd/compare.py
src/amd/io.py
src/amd/periodicset.py
src/amd/reconstruct.py
src/amd/utils.py
src/average_minimum_distance.egg-info/PKG-INFO
src/average_minimum_distance.egg-info/SOURCES.txt
src/average_minimum_distance.egg-info/dependency_links.txt
src/average_minimum_distance.egg-info/entry_points.txt
src/average_minimum_distance.egg-info/requires.txt
src/average_minimum_distance.egg-info/top_level.txt
tests/conftest.py
tests/test_CSDReader.py
tests/test_CifReader.py
tests/test_calculate.py
tests/test_compare.py
tests/data/BABMUQ.cif
tests/data/CSD_families.pkl
tests/data/CSD_families_cdm.npz
tests/data/OJIGOG.cif
tests/data/T2-alpha-solvent.cif
tests/data/T2_experimental.cif
tests/data/T2_experimental.pkl
tests/data/T2_experimental_cdm.npz
tests/data/cubic.cif
tests/data/cubic.pkl
tests/data/regenerate_data.py