Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::Temple::TrustRegionOptimizer< FloatType > Struct Template Reference

Trust region Newton-Raphson minimizer with 2D subspace minimization. More...

#include <TrustRegion.h>

Data Structures

struct  OptimizationReturnType
 Type returned from an optimization. More...
 
struct  StepValues
 Stores all parameter, value, gradient and hessian data of two points. More...
 

Public Types

using MatrixType = Eigen::Matrix< FloatType, Eigen::Dynamic, Eigen::Dynamic >
 
using VectorType = Eigen::Matrix< FloatType, Eigen::Dynamic, 1 >
 

Static Public Member Functions

template<typename UpdateFunction , typename Checker >
static OptimizationReturnType minimize (Eigen::Ref< VectorType > parameters, UpdateFunction &&function, Checker &&check)
 

Detailed Description

template<typename FloatType = double>
struct Scine::Molassembler::Temple::TrustRegionOptimizer< FloatType >

Trust region Newton-Raphson minimizer with 2D subspace minimization.

Template Parameters
FloatTypefloating point type of the objective function

The documentation for this struct was generated from the following file: