MPQC 2.3.1

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Public Member Functions | Protected Attributes
sc::PowellUpdate Class Reference

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

`#include <update.h>`

Inheritance diagram for sc::PowellUpdate:

List of all members.

## Public Member Functions

| 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.
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 sc::PowellUpdate::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::HessianUpdate.

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

- update.h