master
curcuma
Repository badge with BMinus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
src\capabilities\optimiser\LevMarQMDFFFit.h
18 7 -
A
src\core\forcefieldthread.h
18 11 7
A
src\core\forcefieldfunctions.h
19 7 1
A
src\capabilities\curcumamethod.cpp
19 4 1
A
src\tools\geometry.h
20 2 -
A
src\capabilities\optimiser\LevMarNEBPseudoFF.h
21 1 2
A
src\capabilities\hessian.h
21 9 -
A
test_cases\AAAbGal.cpp
22 3 1
A
src\core\qm_methods\interface\abstract_interface.h
23 1 -
C
src\capabilities\simplemd.h
24 54 10
B
src\core\qmdff.h
26 5 7
A
src\capabilities\qmdfffit.cpp
26 12 1
B
src\core\eigen_uff.h
27 12 7
A
test_cases\confscan.cpp
28 1 2
A
src\helpers\main.cpp
28 6 1
A
src\capabilities\persistentdiagram.cpp
28 3 1
A
src\capabilities\optimiser\LevMarNEBDocking.h
29 2 3
A
src\core\qm_methods\dftd3interface.cpp
29 1 1
A
src\capabilities\confsearch.cpp
29 8 -
A
src\core\fileiterator.cpp
29 1 -