master
curcuma
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Name
Complexity
Churn
Issues
A
src\capabilities\qmdfffit.h
6 5 -
A
src\core\qm_methods\dftd3interface.h
6 1 -
A
src\capabilities\polybuild.h
7 1 1
A
src\capabilities\c_code\interface.c
8 1 -
A
src\core\uff_par.h
8 6 4
A
src\capabilities\confstat.cpp
9 4 -
A
src\capabilities\curcumamethod.h
9 4 1
A
src\capabilities\optimiser\lbfgs.h
9 2 -
A
src\capabilities\rmsd_functions.h
9 4 -
A
src\core\energycalculator.h
9 21 1
A
src\core\qm_methods\ulyssesinterface.cpp
9 2 -
A
src\core\orcainterface.cpp
11 1 2
A
src\capabilities\persistentdiagram.h
11 3 1
A
src\core\qm_methods\dftd4interface.cpp
11 2 -
A
src\capabilities\optimiser\LBFGSppInterface.h
12 9 2
A
src\capabilities\rmsdtraj.h
13 18 1
A
src\capabilities\optimiser\LevMarDocking.h
13 4 -
A
src\capabilities\optimiser\OptimiseDipoleScaling.h
14 4 1
A
src\capabilities\docking.h
15 4 -
A
src\helpers\dftd3_helper.cpp
17 1 2