Module _core_optimization_

Classes

ArmijoLineMinimization

ArmijoLineMinimizationAP

ArmijoLineMinimizationCAP

AtomTreeMinimizer

AtomTreeMinimizerAP

AtomTreeMinimizerCAP

AtomTreeMultifunc

AtomTreeMultifuncAP

AtomTreeMultifuncCAP

BrentLineMinimization

BrentLineMinimizationAP

BrentLineMinimizationCAP

CartesianMinimizer

CartesianMinimizerAP

CartesianMinimizerCAP

CartesianMinimizerMap

CartesianMinimizerMapAP

CartesianMinimizerMapCAP

CartesianMultifunc

CartesianMultifuncAP

CartesianMultifuncCAP

ConvergenceTest

ConvergenceTestAP

ConvergenceTestCAP

DFPMinConvergedAbsolute

DFPMinConvergedAbsoluteAP

DFPMinConvergedAbsoluteCAP

DFPMinConvergedFractional

DFPMinConvergedFractionalAP

DFPMinConvergedFractionalCAP

DOF_DataPointAP

DOF_DataPointCAP

DOF_Node

DerivCheckDataPoint

DerivCheckDataPointAP

DerivCheckDataPointCAP

DescentDirectionAlgorithm

DescentDirectionAlgorithmAP

DescentDirectionAlgorithmCAP

EItem

EItemAP

EItemCAP

GA_MinimizerCAP

JJH_MinimizerAP

JJH_MinimizerCAP

LineMinimizationAlgorithm

LineMinimizationAlgorithmAP

LineMinimizationAlgorithmCAP

MinimizerMapCAP

MinimizerOptions

MinimizerOptionsAP

MinimizerOptionsCAP

NelderMeadSimplex

NelderMeadSimplexAP

NelderMeadSimplexCAP

NumDerivCheckData

NumDerivCheckDataAP

NumDerivCheckDataCAP

NumericalDerivCheckResult

NumericalDerivCheckResultAP

NumericalDerivCheckResultCAP

Particle

ParticleSwarmMinimizer

ParticleSwarmMinimizerAP

ParticleSwarmMinimizerCAP

SimpleDerivCheckResult

SimpleDerivCheckResultAP

SimpleDerivCheckResultCAP

SingleResidueMultifunc

SingleResidueMultifuncAP

SingleResidueMultifuncCAP

StrongWolfeLineMinimization

StrongWolfeLineMinimizationAP

StrongWolfeLineMinimizationCAP

__CPP_ArmijoLineMinimization__

__CPP_AtomTreeMinimizer__

__CPP_AtomTreeMultifunc__

__CPP_BrentLineMinimization__

__CPP_CartesianMinimizerMap__

__CPP_CartesianMinimizer__

__CPP_CartesianMultifunc__

__CPP_ConvergenceTest__

__CPP_DFPMinConvergedAbsolute__

__CPP_DFPMinConvergedFractional__

__CPP_LineMinimizationAlgorithm__

__CPP_MinimizerMap__

__CPP_SingleResidueMultifunc__

__CPP_StrongWolfeLineMinimization__

func_1d

lbfgs_iteration_data

lbfgs_iteration_dataAP

lbfgs_iteration_dataCAP

Functions

atom_tree_dfunc

atom_tree_get_atompairE_deriv

cart_numerical_derivative_check

cartesian_collect_atompairE_deriv

cartesian_collect_torsional_deriv

cartesian_dfunc

numerical_derivative_check

simple_numeric_deriv_check

tors_deriv_to_cartesian

torsional_derivative_from_cartesian_derivatives

Variables