conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
F	src\core\molecule.cpp	415	41	8
F	src\core\energy_calculators\ff_methods\qmdff.cpp	187	3	17
F	src\capabilities\simplemd.cpp	432	68	18
F	src\main.cpp	347	64	12
F	src\core\energy_calculators\ff_methods\eigen_uff.cpp	322	3	24
D	src\capabilities\curcumaopt.cpp	126	38	9
D	src\capabilities\confscan.cpp	307	54	10
C	src\capabilities\rmsd.cpp	286	45	6
B	src\capabilities\casino.cpp	258	3	7
B	test_cases\cli\test_utils.sh		3	14
B	src\core\energycalculator.cpp	130	36	9
B	src\core\energy_calculators\ff_methods\qmdff.h	26	3	7
B	src\core\energy_calculators\ff_methods\eigen_uff.h	27	3	7
B	src\capabilities\rmsd\rmsd_strategies.cpp	144	1	14
B	src\capabilities\simplemd.h	80	53	7
B	src\capabilities\optimisation\modern_optimizer_simple.cpp	132	3	14
B	src\capabilities\analysis.cpp	343	8	9
A	src\capabilities\analysenciplot.cpp	38	2	1
A	src\capabilities\casino.h	29	3	-
A	scripts\build_unix_github.sh		10	3