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NAMEsc::PowellUpdate - The PowellUpdate class is used to specify a Powell hessian update.SYNOPSIS#include <update.h> Inherits sc::HessianUpdate. Public Member FunctionsPowellUpdate (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 AttributesRefSCVector xprev RefSCVector gprev Additional Inherited MembersDetailed DescriptionThe 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 Documentationvoid sc::PowellUpdate::apply_transform (const Ref< NonlinearTransform > &) [virtual]Reimplemented from sc::HessianUpdate.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. void sc::PowellUpdate::update (const RefSymmSCMatrix & ihessian, const Ref< Function > & func, const RefSCVector & xnew, const RefSCVector & gnew) [virtual]Implements sc::HessianUpdate.AuthorGenerated automatically by Doxygen for MPQC from the source code.
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