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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
tests\test_outputs.py
8 2 -
A
pystarc\hydrodynamics\rotne_prager.py
8 2 -
A
pystarc\lib\numerical.py
9 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
pystarc\pathways\reaction_interface.py
9 2 -
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_1-propanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py
9 3 3
A
examples\trypsin_benzamidine\setup.py
9 3 3
A
tests\test_physics.py
10 2 -
A
pystarc\structures\molecules.py
10 2 -
A
pystarc\cli\main.py
10 2 -
A
pystarc\transforms\quaternion.py
10 2 -
A
pystarc\forces\lj.py
11 2 -
A
run_pystarc.py
12 2 1
A
pystarc\motion\adaptive_time_step.py
13 2 -
A
pystarc\multi_GPU\multi_GPU_runs.py
13 2 2