ntampellini/TSCoDe

master

TSCoDe

Grade	Name	Complexity	Churn	Issues
A	tscode\calculators\_orca.py	17	8	-
B	tscode\torsion_module.py	235	8	7
A	tscode\graph_manipulations.py	77	10	-
A	tscode\calculators\_mopac.py	33	10	1
A	tscode\nci.py	35	10	-
A	tscode\modify_settings.py	26	11	2
A	tscode\tests.py	14	12	-
A	tscode\reactive_atoms_classes.py	110	14	2
A	tscode\settings.py		14	-
A	tscode\atropisomer_module.py	92	18	4
A	tscode\embedder_options.py	89	18	-
A	setup.py		20	-
A	tscode\ase_manipulations.py	145	20	4
A	tscode\hypermolecule_class.py	81	21	1
A	tscode\calculators\_xtb.py	147	21	3
C	tscode\embedder.py		23	6
A	tscode\optimization_methods.py	90	23	3
A	docs\conf.py		24	-
A	tscode\utils.py	102	25	2
A	tscode\embeds.py	107	26	2