ntampellini/FIRECODE

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FIRECODE

Grade	Name	Complexity	Churn	Issues
A	firecode\modify_settings.py	5	8	-
A	firecode\md\packmol.py	5	1	1
A	firecode\md\equilibration.py	6	2	-
A	firecode\interfaces\goat.py	44	2	2
A	firecode\interfaces\crest.py	69	2	3
A	firecode\hypermolecule_class.py	25	12	-
A	firecode\graph_manipulations.py	15	7	-
A	firecode\errors.py		4	-
A	firecode\ensemble.py	35	2	1
A	firecode\embeds.py	79	7	3
A	firecode\embedder_options.py	27	20	-
F	firecode\embedder.py	445	22	11
A	firecode\dispatcher.py	32	2	1
A	firecode\context_managers.py	12	1	-
A	firecode\calculators\xtb.py	43	2	1
A	firecode\calculators\solvation_delta_calc.py	10	1	1
A	firecode\calculators\ase_uma.py	6	2	-
A	firecode\atropisomer_module.py	53	9	2
C	firecode\ase_manipulations.py	95	16	5
A	firecode\algebra.py	4	6	-