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PolyatomicComplexes
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Complexity
Churn
Issues
A
polyatomic_complexes\tests\test_large_geom.py
7 7 -
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polyatomic_complexes\src\complexes\building_blocks.py
14 1 -
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polyatomic_complexes\tests\test_polyatoms.py
5 6 -
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polyatomic_complexes\src\complexes\force_complex.py
30 1 -
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polyatomic_complexes\src\experiment\process_materials_project.py
10 1 -
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polyatomic_complexes\src\experiment\process_mp_jdft2d.py
13 1 -
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mkdocs.yml
 2 -
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polyatomic_complexes\src\experiment\process_freesolv.py
17 1 -
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.github\workflows\build_mat.yml
 4 -
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polyatomic_complexes\tests\test_small_quantum.py
 4 -
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polyatomic_complexes\tests\test_atoms.py
8 5 -
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.github\workflows\build_graph.yml
 5 -
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polyatomic_complexes\src\complexes\polyatomic_complex_cls.py
13 1 -
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
14 1 1
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
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polyatomic_complexes\src\complexes\quantum_theor_complex.py
127 3 1
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polyatomic_complexes\tests\test_kchains.py
21 2 1
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polyatomic_complexes\experiments\esol_experiment.py
26 3 1
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polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
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polyatomic_complexes\experiments\freesolv_experiment.py
26 3 1