anandojha/PySTARC

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PySTARC

Grade	Name	Complexity	Churn	Issues
A	examples\beta_cyclodextrin_guests\run.sh		1	2
A	examples\carbonic_anhydrase_inhibitors\ca2_vd1142\run.sh		2	2
A	pystarc\forces\multipole.py	7	2	2
A	examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh		2	2
A	examples\p38_mapk_sb203580\run.sh		1	2
A	pystarc\multi_GPU\combine_data.py	62	4	2
A	examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh		2	2
A	pystarc\multi_GPU\multi_GPU_runs.py	13	2	2
A	pystarc\pipeline\geometry.py	59	6	3
A	pystarc\pipeline\gho_injection.py	24	4	3
A	pystarc\simulation\chain_simulator.py	125	1	4
A	pystarc\simulation\coffdrop_chain.py	287	3	4
A	pystarc\simulation\coffdrop_params.py	42	3	4
F	tests\test_pystarc.py	242	17	20
C	examples\hirudin_thrombin\setup.py		2	34
F	examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py	9	7	88
F	examples\trypsin_benzamidine\setup.py	9	8	88
F	examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py	9	7	88
F	examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\setup.py	9	7	88
F	examples\beta_cyclodextrin_guests\BCD_1-butanol\setup.py	9	7	88