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curcuma
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Complexity
Churn
Issues
A
src\capabilities\qmdfffit.h
11 7 -
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src\capabilities\optimization_validator.h
3 1 -
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src\capabilities\rmsd.h
82 30 -
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src\capabilities\curcumaopt_modern.h
13 1 -
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.github\workflows\ccpp.yml
 12 -
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src\capabilities\hessian.h
30 11 -
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src\capabilities\docking.h
40 5 -
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src\capabilities\optimizer_interface.cpp
23 1 -
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src\capabilities\lbfgspp_optimizer.h
11 1 -
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src\capabilities\rmsd\rmsd_costmatrix.h
9 1 -
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src\capabilities\analysenciplot.h
5 1 -
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src\capabilities\optimiser\LevMarQMDFFFit.h
18 8 -
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src\capabilities\nebdocking.cpp
3 1 -
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src\capabilities\rmsd\rmsd_functions.h
10 1 -
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src\capabilities\tda_engine.h
2 2 -
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src\capabilities\scnp_parser.h
2 1 -
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src\capabilities\rmsd\rmsd_assignment.cpp
11 1 -
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src\capabilities\optimiser\Proton.h
0 1 -
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src\capabilities\optimiser\XTBDocking.h
0 1 -
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src\capabilities\c_code\interface.h
0 1 -