neldermead.h File Reference

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

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Description

Declare classes to aid Nelder-Mead downhill simplex optimisation.

Author

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

Classes
struct	gmx::RealFunctionvalueAtCoordinate
	Tie together coordinate and function value at this coordinate. More...
class	gmx::NelderMeadSimplex
	The simplex for the Nelder-Mead algorithm. More...