NAME

       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

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                              sc::PowellUpdate(3)