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MPQC
2.3.1
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The PowellUpdate class is used to specify a Powell hessian update. More...
#include <update.h>
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 |
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).
| 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.