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sc::GDIISOpt(3)                      MPQC                      sc::GDIISOpt(3)

NAME
       sc::GDIISOpt -

SYNOPSIS
       Inherits sc::Optimize.

   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_
       RefSCVector * coords_
       RefSCVector * grad_
       RefSCVector * error_
       RefSymmSCMatrix ihessian_
       Ref< HessianUpdate > update_

   Additional Inherited Members

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::SavableState.

   int sc::GDIISOpt::update () [virtual]
       Take a step. Returns 1 if the optimization has converged, otherwise 0.

       Implements sc::Optimize.

Author
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                   Fri Feb 19 2016                sc::GDIISOpt(3)