conradhuebler/curcuma

master

curcuma

Grade	Name	Complexity	Churn	Issues
A	src\capabilities\munkress_2.h	97	1	2
A	src\core\energy_calculators\qm_methods\GTOIntegrals.hpp	46	1	2
A	src\core\energy_calculators\qm_methods\eht.h	5	2	2
A	test_cases\cli\simplemd\03_invalid_thermostat\run_test.sh		3	2
A	src\core\energy_calculators\ff_methods\qmdff_par.h	36	1	2
A	src\capabilities\confscan.h	87	44	2
A	src\tools\general.h	98	9	2
A	src\helpers\storage_bench.cpp	54	1	2
A	src\helpers\dftd3_helper.cpp	17	1	2
A	test_cases\cli\simplemd\04_rattle_all\run_test.sh		3	2
A	src\capabilities\optimiser\LBFGSppInterface.h	12	5	2
A	src\capabilities\optimiser\LevMarNEBPseudoFF.h	21	1	2
A	src\core\energy_calculators\qm_methods\ulyssesinterface.cpp	32	4	2
A	src\core\energy_calculators\qm_methods\test_parser.cpp	22	1	2
A	src\core\energy_calculators\qm_methods\ulysses_method.h	4	3	2
A	src\capabilities\curcumaopt.h	69	23	2
A	src\capabilities\trajectoryanalysis.cpp	122	4	2
A	src\capabilities\docking.cpp	82	5	2
A	src\capabilities\pairmapper.cpp	80	1	2
A	test_cases\cli\simplemd\07_restart_simulation\run_test.sh		3	2