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PowellUpdate Class Reference

The PowellUpdate class is used to specify a Powell hessian update. More...

#include <update.h>

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List of all members.

Public Methods

 PowellUpdate ()
 PowellUpdate (StateIn &)
 PowellUpdate (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. More...

 ~PowellUpdate ()
void update (const RefSymmSCMatrix &ihessian, const Ref< Function > &func, const RefSCVector &xnew, const RefSCVector &gnew)
void apply_transform (const Ref< NonlinearTransform > &)

Protected Attributes

RefSCVector xprev
RefSCVector gprev

Detailed Description

The PowellUpdate class is used to specify a Powell hessian update.

This hessian update method is the recommended method for use with transition state searches (the EFCOpt class can be used for transition state searches).


Member Function Documentation

void PowellUpdate::save_data_state ( StateOut & s ) [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 HessianUpdate.


The documentation for this class was generated from the following file:
Generated at Thu Oct 4 18:09:33 2001 for MPQC 2.0.0 using the documentation package Doxygen 1.2.5.