DOKK / manpages / debian 12 / libsc-doc / sc_PowellUpdate.3.en
sc::PowellUpdate(3) MPQC sc::PowellUpdate(3)

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

#include <update.h>

Inherits sc::HessianUpdate.


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 > &)


RefSCVector xprev
RefSCVector gprev

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).

Reimplemented from sc::HessianUpdate.

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.

Implements sc::HessianUpdate.

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Fri Dec 2 2022 Version 2.3.1