conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
A	src\core\forcefieldthread.cpp	66	12	5
B	src\core\eigen_uff.h	27	12	7
A	src\capabilities\qmdfffit.cpp	26	12	1
A	src\core\forcefieldgenerator.h	0	10	1
A	src\core\forcefieldthread.h	18	10	7
A	src\tools\general.h	98	10	2
A	.github\workflows\ccpp.yml		10	-
A	src\capabilities\docking.cpp	80	9	2
A	scripts\build_unix.sh		9	3
A	src\capabilities\rmsdtraj.cpp	53	9	3
A	src\capabilities\optimiser\LBFGSppInterface.h	12	9	-
F	src\core\qmdff.cpp	187	8	18
A	src\capabilities\hessian.h	21	8	-
A	src\capabilities\confsearch.h	1	8	9
A	src\capabilities\optimiser\LevMarQMDFFFit.h	18	7	-
A	src\core\forcefieldfunctions.h	19	7	1
A	src\core\forcefield.h	2	7	1
A	src\capabilities\docking.h	15	7	-
A	src\capabilities\confsearch.cpp	29	7	-
A	src\core\uff_par.h	8	6	3