OpenMD::FluctuatingChargeObjectiveFunction Class Reference

Inheritance diagram for OpenMD::FluctuatingChargeObjectiveFunction:

Public Member Functions
	FluctuatingChargeObjectiveFunction (SimInfo *info, ForceManager *forceMan, FluctuatingChargeConstraints *fqConstraints)
virtual RealType	value (const DynamicVector< RealType > &x)
	method to overload to compute the objective function value in x
virtual void	gradient (DynamicVector< RealType > &grad, const DynamicVector< RealType > &x)
	method to overload to compute grad_f, the first derivative of
virtual RealType	valueAndGradient (DynamicVector< RealType > &grad, const DynamicVector< RealType > &x)
	method to overload to compute grad_f, the first derivative
DynamicVector< RealType >	setInitialCoords ()
Public Member Functions inherited from QuantLib::ObjectiveFunction
virtual RealType	finiteDifferenceEpsilon () const
	Default epsilon for finite difference method :

Detailed Description

Definition at line 58 of file FluctuatingChargeObjectiveFunction.hpp.

Constructor & Destructor Documentation

FluctuatingChargeObjectiveFunction()

OpenMD::FluctuatingChargeObjectiveFunction::FluctuatingChargeObjectiveFunction	(	SimInfo *	info,
		ForceManager *	forceMan,
		FluctuatingChargeConstraints *	fqConstraints )

Definition at line 56 of file FluctuatingChargeObjectiveFunction.cpp.

Member Function Documentation

gradient()

void OpenMD::FluctuatingChargeObjectiveFunction::gradient ( DynamicVector< RealType > & grad, const DynamicVector< RealType > & x )

virtual

method to overload to compute grad_f, the first derivative of

Reimplemented from QuantLib::ObjectiveFunction.

Definition at line 70 of file FluctuatingChargeObjectiveFunction.cpp.

setInitialCoords()

DynamicVector< RealType > OpenMD::FluctuatingChargeObjectiveFunction::setInitialCoords

(

)

Definition at line 142 of file FluctuatingChargeObjectiveFunction.cpp.

value()

RealType OpenMD::FluctuatingChargeObjectiveFunction::value ( const DynamicVector< RealType > & x )

virtual

method to overload to compute the objective function value in x

Implements QuantLib::ObjectiveFunction.

Definition at line 62 of file FluctuatingChargeObjectiveFunction.cpp.

valueAndGradient()

RealType OpenMD::FluctuatingChargeObjectiveFunction::valueAndGradient ( DynamicVector< RealType > & grad, const DynamicVector< RealType > & x )

virtual

method to overload to compute grad_f, the first derivative

Reimplemented from QuantLib::ObjectiveFunction.

Definition at line 78 of file FluctuatingChargeObjectiveFunction.cpp.

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

• flucq/FluctuatingChargeObjectiveFunction.hpp
• flucq/FluctuatingChargeObjectiveFunction.cpp