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PolyatomicComplexes
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Complexity
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A
.github\workflows\ci.yml
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polyatomic_complexes\tests\test_large_geom.py
6 13 -
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polyatomic_complexes\tests\test_kchains.py
19 13 1
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polyatomic_complexes\tests\test_small_quantum.py
0 7 -
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polyatomic_complexes\experiments\run_experiment.py
0 3 -
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polyatomic_complexes\src\complexes\space_utils.py
39 3 2
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polyatomic_complexes\src\complexes\general_utils.py
29 3 1
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polyatomic_complexes\src\complexes\polyatomic_complex.py
23 3 3
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polyatomic_complexes\experiments\gaussian_process.py
11 3 1
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polyatomic_complexes\tests\test_geom_unique.py
41 3 8
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polyatomic_complexes\src\complexes\abstract_complex.py
51 3 3
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
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polyatomic_complexes\experiments\metrics.py
1 2 -
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polyatomic_complexes\src\complexes\quantum_complex.py
43 2 1
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mkdocs.yml
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polyatomic_complexes\src\complexes\build_atom_lookup.py
2 2 1
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polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 2 1
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polyatomic_complexes\src\complexes\force_complex.py
12 2 -
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polyatomic_complexes\experiments\__init__.py
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polyatomic_complexes\experiments\experiment_runner.py
20 2 -