conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
A	src\capabilities\optimiser\LevMarNEBDocking.h	29	1	3
A	src\core\energy_calculators\qm_methods\gfn2-xtb_param.hpp	19	1	2
A	src\capabilities\rmsd\rmsd_assignment.h	2	1	-
A	src\capabilities\rmsd\rmsd_costmatrix.cpp	14	1	-
A	src\capabilities\optimiser\Proton.h	0	1	-
A	src\capabilities\trajectory_statistics.h	0	1	-
A	src\capabilities\optimization_validator.h	3	1	-
A	src\capabilities\c_code\hungarian.h	0	1	1
A	src\capabilities\optimizer_driver.h	6	1	1
A	src\core\energy_calculators\qm_methods\ParallelEigenSolver.hpp	146	1	5
A	src\capabilities\optimizer_factory.h	5	1	-
A	src\capabilities\curcumaopt_modern.h	13	1	-
A	src\capabilities\optimizer_interface.h	0	1	-
A	src\capabilities\scnp_parser.h	2	1	-
A	src\core\energy_calculators\qm_methods\gfnff_advanced.h	1	1	-
A	src\core\energy_calculators\qm_methods\gfnff_advanced.cpp	47	1	-
A	src\core\energy_calculators\qm_methods\STOIntegrals.hpp	134	1	6
A	src\core\energy_calculators\ff_methods\qmdff_terms.h	0	1	-
A	src\core\energy_calculators\ff_methods\qmdff_par.h	36	1	2
B	src\capabilities\rmsd\rmsd_strategies.cpp	144	1	14