conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
F	src\capabilities\simplemd.cpp	432	68	18
F	src\core\molecule.cpp	415	41	8
F	src\main.cpp	347	64	12
B	src\capabilities\analysis.cpp	343	8	9
F	src\core\energy_calculators\ff_methods\eigen_uff.cpp	322	3	24
D	src\capabilities\confscan.cpp	307	54	10
C	src\capabilities\rmsd.cpp	286	45	6
B	src\capabilities\casino.cpp	258	3	7
A	src\core\energy_calculators\ff_methods\forcefieldgenerator.cpp	207	3	6
A	src\core\energy_calculators\ff_methods\forcefield.cpp	203	5	10
F	src\core\energy_calculators\ff_methods\qmdff.cpp	187	3	17
A	src\core\energy_calculators\qm_methods\ParallelEigenSolver.hpp	146	1	5
B	src\capabilities\rmsd\rmsd_strategies.cpp	144	1	14
A	src\core\hbonds.h	143	3	3
A	src\core\energy_calculators\qm_methods\STOIntegrals.hpp	134	1	6
B	src\capabilities\optimisation\modern_optimizer_simple.cpp	132	3	14
B	src\core\energycalculator.cpp	130	36	9
A	src\capabilities\hessian.cpp	128	16	4
D	src\capabilities\curcumaopt.cpp	126	38	9
A	src\capabilities\tda_engine.cpp	125	2	8