sc_PowellUpdate man page

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

Synopsis

#include <update.h>

Inherits sc::HessianUpdate.

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

Additional Inherited Members

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.

Author

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Info

Fri May 6 2016 Version 2.3.1 MPQC