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sc::DiagMolecularHessian(3)          MPQC          sc::DiagMolecularHessian(3)

NAME
       sc::DiagMolecularHessian - DiagMolecularHessian is an implementation of
       MolecularHessian that returns a hessian that is a diagonal matrix.

SYNOPSIS
       #include <hess.h>

       Inherits sc::MolecularHessian.

   Public Member Functions
       DiagMolecularHessian (const Ref< KeyVal > &)
           The DiagMolecularHessian KeyVal constructor is used to generate a
           DiagMolecularHessian object from the input.
       DiagMolecularHessian (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.
       RefSymmSCMatrix cartesian_hessian ()
           Return the hessian in cartesian coordinates.

   Protected Attributes
       double diag_

   Additional Inherited Members

Detailed Description
       DiagMolecularHessian is an implementation of MolecularHessian that
       returns a hessian that is a diagonal matrix.

Constructor & Destructor Documentation
   sc::DiagMolecularHessian::DiagMolecularHessian (const Ref< KeyVal > &)
       The DiagMolecularHessian KeyVal constructor is used to generate a
       DiagMolecularHessian object from the input. It reads the keywords
       below.

       KeywordTypeDefaultDescription diagdouble1.0Specifies the diagonal
       elements of the hessian.

Member Function Documentation
   void sc::DiagMolecularHessian::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::MolecularHessian.

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

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