sc::powellupdate(3)
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
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.