NAME

sc::HessianUpdate - The HessianUpdate abstract class is used to specify a hessian update scheme.

SYNOPSIS

#include <update.h>

Inherits sc::SavableState.

Inherited by sc::DFPUpdate, and sc::PowellUpdate.

Public Member Functions

HessianUpdate (StateIn &)
HessianUpdate (const Ref< KeyVal > &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. virtual void update (const RefSymmSCMatrix &hessian, const Ref< Function > &, const RefSCVector &xnew, const RefSCVector &gnew)=0
virtual void set_inverse ()
virtual void apply_transform (const Ref< NonlinearTransform > &)

Protected Attributes

int inverse_hessian_

Additional Inherited Members

Detailed Description

The HessianUpdate abstract class is used to specify a hessian update scheme.

It is used, for example, by QNewtonOpt objects. Based on the value of inverse_hessian_ x and g may be reversed (see Schlegel, Ab initio Methods in Quantum Chemistry I, 1987, p 10).

Member Function Documentation

void sc::HessianUpdate::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::SavableState.

Reimplemented in sc::DFPUpdate, sc::BFGSUpdate, and sc::PowellUpdate.

Author

Generated automatically by Doxygen for MPQC from the source code.