Inheritance diagram for Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombiner< C1, C2 >:

Collaboration diagram for Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombiner< C1, C2 >:

Public Member Functions
void	setFirstCalculatorContribution (double f)

double	getFirstCalculatorContribution () const

const ReactionPathCostCalculator &	firstCalculator () const

ReactionPathCostCalculator &	firstCalculator ()

const ReactionPathCostCalculator &	secondCalculator () const

ReactionPathCostCalculator &	secondCalculator ()

Public Member Functions inherited from Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ReactionPathCostCalculator
std::unique_ptr < ReactionPathCostCalculator >	clone () const

virtual	~ReactionPathCostCalculator ()=default
	Default destructor.

bool	energiesRequired () const
	Whether energies (and their gradients) are required in the cost calculation. More...

void	calculateCost (const Utils::BSplines::BSpline &spline, const EnergiesAndGradientsAlongSpline &energyValues)
	Evaluate the cost associated with a given spline. More...

double	getCost () const
	Get the cost associated with a given spline (after it has been evaluated). More...

Eigen::MatrixXd	getCostDerivatives () const
	Get the cost derivatives associated with a given spline. More...

Static Public Attributes
static constexpr double	defaultContributionFromFirstCalculator = 0.5

Detailed Description

Cost calculator combining two other calculators

Template Parameters

C1	First cost calculator
C2	Second cost calculator

Member Function Documentation

template<typename C1, typename C2>

void Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombiner< C1, C2 >::setFirstCalculatorContribution ( double f )

inline

Give the contribution of the first calculator; must be between 0.0 and 1.0.

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