master
curcuma
Repository badge with B rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
src\core\energy_calculators\qm_methods\eht.cpp
81 2 1
B
src\capabilities\simplemd.h
80 53 7
A
src\core\energy_calculators\qm_methods\eht_method.cpp
80 2 4
A
src\capabilities\pairmapper.cpp
80 1 2
A
src\capabilities\optimisation\lbfgs.cpp
78 1 2
A
src\core\xyz_comment_parser.cpp
73 2 4
A
src\core\energy_calculators\method_factory.cpp
73 6 1
A
src\capabilities\rmsdtraj.cpp
73 7 5
A
src\capabilities\curcumaopt.h
69 23 2
A
src\core\energy_calculators\qm_methods\xtbinterface.cpp
66 4 5
A
src\capabilities\curcumamethod.cpp
66 8 3
A
test_cases\confscan.cpp
63 7 2
A
src\core\parameter_registry.cpp
57 3 1
A
src\capabilities\optimizer_factory.cpp
54 1 8
A
src\helpers\storage_bench.cpp
54 1 3
A
src\core\energy_calculators\qm_methods\gfnff_advanced.cpp
47 1 -
A
src\helpers\imagewrite.cpp
47 1 5
A
src\core\energy_calculators\qm_methods\GTOIntegrals.hpp
46 1 2
A
src\core\energy_calculators\qm_methods\gfnffinterface.cpp
45 4 1
A
src\core\energy_calculators\qm_methods\interface\ulysses.cpp
45 2 1