OpenMD::BoxObjectiveFunction Class Reference

Inheritance diagram for OpenMD::BoxObjectiveFunction:

Public Member Functions
	BoxObjectiveFunction (SimInfo *info, ForceManager *forceMan)
RealType	value (const DynamicVector< RealType > &x)
	method to overload to compute the objective function value in x
void	gradient (DynamicVector< RealType > &grad, const DynamicVector< RealType > &x)
	method to overload to compute grad_f, the first derivative of
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 56 of file BoxObjectiveFunction.hpp.

Constructor & Destructor Documentation

BoxObjectiveFunction()

OpenMD::BoxObjectiveFunction::BoxObjectiveFunction	(	SimInfo *	info,
		ForceManager *	forceMan )

Definition at line 51 of file BoxObjectiveFunction.cpp.

Member Function Documentation

gradient()

void OpenMD::BoxObjectiveFunction::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 84 of file BoxObjectiveFunction.cpp.

References OpenMD::SimInfo::getSnapshotManager().

setInitialCoords()

DynamicVector< RealType > OpenMD::BoxObjectiveFunction::setInitialCoords

(

)

Definition at line 196 of file BoxObjectiveFunction.cpp.

value()

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

virtual

method to overload to compute the objective function value in x

Implements QuantLib::ObjectiveFunction.

Definition at line 69 of file BoxObjectiveFunction.cpp.

References OpenMD::SimInfo::getSnapshotManager().

valueAndGradient()

RealType OpenMD::BoxObjectiveFunction::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 100 of file BoxObjectiveFunction.cpp.

References OpenMD::SimInfo::getSnapshotManager().

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

• optimization/BoxObjectiveFunction.hpp
• optimization/BoxObjectiveFunction.cpp