CODE_OF_CONDUCT.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements.txt
setup.cfg
setup.py
versioneer.py
solvation_analysis/__init__.py
solvation_analysis/_column_names.py
solvation_analysis/_utils.py
solvation_analysis/coordination.py
solvation_analysis/networking.py
solvation_analysis/pairing.py
solvation_analysis/plotting.py
solvation_analysis/rdf_parser.py
solvation_analysis/residence.py
solvation_analysis/solute.py
solvation_analysis/speciation.py
solvation_analysis.egg-info/PKG-INFO
solvation_analysis.egg-info/SOURCES.txt
solvation_analysis.egg-info/dependency_links.txt
solvation_analysis.egg-info/requires.txt
solvation_analysis.egg-info/top_level.txt
solvation_analysis/tests/__init__.py
solvation_analysis/tests/conftest.py
solvation_analysis/tests/datafiles.py
solvation_analysis/tests/test_coordination.py
solvation_analysis/tests/test_networking.py
solvation_analysis/tests/test_pairing.py
solvation_analysis/tests/test_plotting.py
solvation_analysis/tests/test_rdf_parser.py
solvation_analysis/tests/test_residence.py
solvation_analysis/tests/test_selection.py
solvation_analysis/tests/test_solute.py
solvation_analysis/tests/test_speciation.py
solvation_analysis/tests/data/.DS_Store
solvation_analysis/tests/data/README.md
solvation_analysis/tests/data/bn_fec_data/bn_fec.data
solvation_analysis/tests/data/bn_fec_data/bn_fec_elements.csv
solvation_analysis/tests/data/bn_fec_data/bn_fec_short_unwrap.dcd
solvation_analysis/tests/data/bn_fec_data/bn_fec_short_wrap.dcd
solvation_analysis/tests/data/bn_fec_data/bn_solv_df_large.csv
solvation_analysis/tests/data/ea_fec_data/ea_fec.dcd
solvation_analysis/tests/data/ea_fec_data/ea_fec.pdb
solvation_analysis/tests/data/eax_data/ea/topology.pdb
solvation_analysis/tests/data/eax_data/ea/trajectory_equil.dcd
solvation_analysis/tests/data/eax_data/eaf/topology.pdb
solvation_analysis/tests/data/eax_data/eaf/trajectory_equil.dcd
solvation_analysis/tests/data/eax_data/fea/topology.pdb
solvation_analysis/tests/data/eax_data/fea/trajectory_equil.dcd
solvation_analysis/tests/data/eax_data/feaf/topology.pdb
solvation_analysis/tests/data/eax_data/feaf/trajectory_equil.dcd
solvation_analysis/tests/data/iba_data/isobutyric_acid.dcd
solvation_analysis/tests/data/iba_data/isobutyric_acid.pdb
solvation_analysis/tests/data/rdf_non_solvated/rdf_bn_N_vs_fec_F_bins.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_bn_N_vs_fec_F_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_bn_N_vs_fec_O_bins.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_bn_N_vs_fec_O_data.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_bn_N_vs_fec_all_data.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_F_vs_bn_N_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_F_vs_bn_all_bins.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_F_vs_bn_all_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_F_vs_pf6_F_bins.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_bn_N_bins.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_bn_all_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_pf6_F_bins.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_pf6_F_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_pf6_all_bins.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_fec_O_vs_pf6_all_data.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_pf6_F_vs_bn_N_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_pf6_F_vs_bn_all_bins.npz
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solvation_analysis/tests/data/rdf_non_solvated/rdf_pf6_F_vs_fec_F_data.npz
solvation_analysis/tests/data/rdf_non_solvated/rdf_pf6_F_vs_fec_O_bins.npz
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solvation_analysis/tests/data/rdf_vs_li_easy/rdf_bn_N_bins.npz
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solvation_analysis/tests/data/rdf_vs_li_easy/rdf_fec_O_bins.npz
solvation_analysis/tests/data/rdf_vs_li_easy/rdf_fec_O_data.npz
solvation_analysis/tests/data/rdf_vs_li_easy/rdf_fec_all_bins.npz
solvation_analysis/tests/data/rdf_vs_li_easy/rdf_fec_all_data.npz
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solvation_analysis/tests/data/rdf_vs_li_easy/rdf_pf6_all_data.npz
solvation_analysis/tests/data/rdf_vs_li_easy/rdf_universe_all_bins.npz
solvation_analysis/tests/data/rdf_vs_li_easy/rdf_universe_all_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_bn_N_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_bn_N_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_bn_all_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_bn_all_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_F_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_F_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_O_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_O_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_all_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_fec_all_data.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_pf6_F_bins.npz
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solvation_analysis/tests/data/rdf_vs_li_hard/rdf_universe_all_bins.npz
solvation_analysis/tests/data/rdf_vs_li_hard/rdf_universe_all_data.npz