optimization.h File Reference

#include <functional>
#include <vector>
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"

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Description

Declare function optimization routines.

Author

Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes
struct	gmx::OptimisationResult
	Compiles results of an a function optimisation. More...

Functions
OptimisationResult	gmx::nelderMead (const std::function< real(ArrayRef< const real >)> &functionToMinimize, ArrayRef< const real > initialGuess, real minimumRelativeSimplexLength=1e-8, int maxSteps=10'000)
	Derivative-free downhill simplex optimisation. More...