anandojha/PySTARC

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PySTARC

Grade	Name	Complexity	Churn	Issues
A	pystarc\pipeline\run_apbs.py	21	2	1
A	pystarc\simulation\gpu_batch_simulator.py	127	3	1
A	examples\thrombin_thrombomodulin\run.sh		1	1
A	pystarc\simulation\outer_propagator.py	60	2	1
A	run_pystarc.py	12	2	1
A	examples\trypsin_benzamidine\run.sh		1	1
A	pystarc\multi_GPU\multi_GPU_runs.py	13	2	2
A	pystarc\pipeline\make_pqr.py	18	2	2
A	examples\beta_cyclodextrin_guests\run.sh		1	2
A	pystarc\pipeline\pipeline.py	35	3	2
A	pystarc\forces\engine.py	58	2	2
A	pystarc\simulation\coffdrop_chain.py	52	2	2
A	pystarc\simulation\diffusional_rotation.py	21	2	2
A	pystarc\forces\multipole.py	7	2	2
A	pystarc\xml_io\simulation_io.py	18	2	2
A	examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py	9	3	3
A	examples\beta_cyclodextrin_guests\BCD_1-butanol\setup.py	9	3	3
A	examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\setup.py	9	3	3
A	examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py	9	3	3
A	pystarc\pipeline\gho_injection.py	26	2	3