MPQC  2.3.1
Public Member Functions | Protected Attributes
sc::GDIISOpt Class Reference
Inheritance diagram for sc::GDIISOpt:
sc::Optimize sc::SavableState sc::DescribedClass sc::RefCount sc::Identity

List of all members.

Public Member Functions

 GDIISOpt (const Ref< KeyVal > &)
 GDIISOpt (StateIn &)
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 init ()
 Initialize the optimizer.
int update ()
 Take a step.

Protected Attributes

int nsave
int diis_iter
double maxabs_gradient
double convergence_
double accuracy_
RefSCVectorcoords_
RefSCVectorgrad_
RefSCVectorerror_
RefSymmSCMatrix ihessian_
Ref< HessianUpdateupdate_

Member Function Documentation

void sc::GDIISOpt::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::Optimize.

int sc::GDIISOpt::update ( ) [virtual]

Take a step.

Returns 1 if the optimization has converged, otherwise 0.

Implements sc::Optimize.


The documentation for this class was generated from the following file:

Generated at Sat May 26 2012 04:37:20 for MPQC 2.3.1 using the documentation package Doxygen 1.8.0.