SO3NelderMead.h File Reference

Nelder-Mead over the SO(3) manifold. More...

#include <Eigen/Core>
#include <Eigen/Eigenvalues>
#include <unsupported/Eigen/MatrixFunctions>
#include "Molassembler/Temple/Adaptors/AllPairs.h"
#include "Molassembler/Temple/Functional.h"

Include dependency graph for SO3NelderMead.h:

Go to the source code of this file.

Data Structures
struct	Scine::Molassembler::Temple::SO3NelderMead< FloatType >
	Nelder-Mead optimization on SO(3) manifold. More...
struct	Scine::Molassembler::Temple::SO3NelderMead< FloatType >::Parameters
	Four 3x3 matrices form the simplex vertices. More...
struct	Scine::Molassembler::Temple::SO3NelderMead< FloatType >::OptimizationReturnType
	Type returned from an optimization. More...
struct	Scine::Molassembler::Temple::SO3NelderMead< FloatType >::Manifold
struct	Scine::Molassembler::Temple::SO3NelderMead< FloatType >::IndexValuePair

Namespaces
	Scine::Molassembler
	Central library namespace.
	Scine::Molassembler::Temple
	Template shorthands, optimizers and constexpr data types.

Detailed Description

Nelder-Mead over the SO(3) manifold.

Copyright

This code is licensed under the 3-clause BSD license. Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group. See LICENSE.txt for details.