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curcuma
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Complexity
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Issues
A
src\capabilities\confstat.h
17 5 -
A
src\core\energy_calculators\qm_methods\eht_parameters.cpp
23 1 -
A
src\capabilities\optimiser\LevMarQMDFFFit.h
18 8 -
A
src\core\energy_calculators\ff_methods\forcefieldgenerator.h
36 2 -
A
src\capabilities\optimiser\Proton.h
0 1 -
A
src\core\energy_calculators\ff_methods\qmdff_terms.h
0 1 -
A
src\capabilities\optimization_validator.h
3 1 -
A
src\core\energy_calculators\computational_method.h
7 2 -
A
src\capabilities\qmdfffit.h
11 7 -
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src\core\energy_calculators\method_factory.h
2 2 -
A
src\capabilities\optimizer_factory.h
5 1 -
A
src\capabilities\curcumaopt_modern.h
13 1 -
A
src\capabilities\optimizer_interface.h
0 1 -
A
src\capabilities\rmsd\rmsd_strategies.h
16 1 -
A
src\core\energy_calculators\qm_methods\external_gfnff_method.cpp
25 5 -
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src\core\energy_calculators\qm_methods\eht_parameters.h
3 1 -
A
src\core\energy_calculators\qm_methods\dftd3interface.h
17 4 -
A
src\core\curcuma_logger.h
16 2 -
A
src\core\curcuma_logger.cpp
96 3 -
A
src\capabilities\c_code\interface.h
0 1 -