conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
F	src\capabilities\simplemd.cpp	432	68	18
F	src\main.cpp	347	64	12
D	src\capabilities\confscan.cpp	307	54	10
B	src\capabilities\simplemd.h	80	53	7
C	src\capabilities\rmsd.cpp	286	45	6
A	src\capabilities\confscan.h	87	44	2
F	src\core\molecule.cpp	415	41	8
D	src\capabilities\curcumaopt.cpp	126	38	9
B	src\core\energycalculator.cpp	130	36	9
A	src\core\molecule.h	43	32	-
A	src\core\energycalculator.h	7	30	-
A	src\capabilities\rmsd.h	82	30	-
A	src\core\global.h	39	24	-
A	src\capabilities\curcumaopt.h	69	23	2
A	src\capabilities\hessian.cpp	128	16	4
A	src\capabilities\qmdfffit.cpp	28	15	1
A	.github\workflows\ccpp.yml		12	-
A	src\capabilities\hessian.h	30	11	-
A	scripts\build_unix_github.sh		10	3
A	src\capabilities\persistentdiagram.cpp	37	9	2