optimization.cpp File Reference

#include "gmxpre.h"
#include "gromacs/math/optimization.h"
#include <functional>
#include "gromacs/math/neldermead.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"

Include dependency graph for optimization.cpp:

Description

Implements routines in optimization.h .

Author

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

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...