OpenMD  2.5
Molecular Dynamics in the Open
QuantLib::ObjectiveFunction Class Referenceabstract

Objective function abstract class for optimization problem. More...

#include <ObjectiveFunction.hpp>

Inheritance diagram for QuantLib::ObjectiveFunction:
OpenMD::FluctuatingChargeObjectiveFunction OpenMD::PotentialEnergyObjectiveFunction

Public Member Functions

virtual ~ObjectiveFunction ()
 
virtual RealType value (const DynamicVector< RealType > &x)=0
 method to overload to compute the objective function value in x More...
 
virtual void gradient (DynamicVector< RealType > &grad, const DynamicVector< RealType > &x)
 method to overload to compute grad_f, the first derivative of More...
 
virtual RealType valueAndGradient (DynamicVector< RealType > &grad, const DynamicVector< RealType > &x)
 method to overload to compute grad_f, the first derivative More...
 
virtual RealType finiteDifferenceEpsilon () const
 Default epsilon for finite difference method : More...
 

Detailed Description

Objective function abstract class for optimization problem.

Definition at line 33 of file ObjectiveFunction.hpp.

Constructor & Destructor Documentation

◆ ~ObjectiveFunction()

virtual QuantLib::ObjectiveFunction::~ObjectiveFunction ( )
inlinevirtual

Definition at line 35 of file ObjectiveFunction.hpp.

Member Function Documentation

◆ finiteDifferenceEpsilon()

virtual RealType QuantLib::ObjectiveFunction::finiteDifferenceEpsilon ( ) const
inlinevirtual

Default epsilon for finite difference method :

Definition at line 64 of file ObjectiveFunction.hpp.

◆ gradient()

virtual void QuantLib::ObjectiveFunction::gradient ( DynamicVector< RealType > &  grad,
const DynamicVector< RealType > &  x 
)
inlinevirtual

method to overload to compute grad_f, the first derivative of

Reimplemented in OpenMD::PotentialEnergyObjectiveFunction, and OpenMD::FluctuatingChargeObjectiveFunction.

Definition at line 41 of file ObjectiveFunction.hpp.

Referenced by QuantLib::Problem::gradient().

◆ value()

virtual RealType QuantLib::ObjectiveFunction::value ( const DynamicVector< RealType > &  x)
pure virtual

method to overload to compute the objective function value in x

Implemented in OpenMD::PotentialEnergyObjectiveFunction, and OpenMD::FluctuatingChargeObjectiveFunction.

Referenced by QuantLib::Problem::value().

◆ valueAndGradient()

virtual RealType QuantLib::ObjectiveFunction::valueAndGradient ( DynamicVector< RealType > &  grad,
const DynamicVector< RealType > &  x 
)
inlinevirtual

method to overload to compute grad_f, the first derivative

Reimplemented in OpenMD::PotentialEnergyObjectiveFunction, and OpenMD::FluctuatingChargeObjectiveFunction.

Definition at line 57 of file ObjectiveFunction.hpp.

Referenced by QuantLib::Problem::valueAndGradient().


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