sc::PowellUpdate - The PowellUpdate class is used to specify a Powell hessian update.
Contents
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
voidsc::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.
Name
sc::PowellUpdate - The PowellUpdate class is used to specify a Powell hessian update.
Synopsis
#include <update.h>
Inherits sc::HessianUpdate.
PublicMemberFunctionsPowellUpdate (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 > &)
ProtectedAttributesRefSCVectorxprevRefSCVectorgprevAdditionalInheritedMembers