NAME

       sc::ReadMolecularHessian - ReadMolecularHessian is an implementation of MolecularHessian
       that reads the hessian from a file.

SYNOPSIS

       #include <hess.h>

       Inherits sc::MolecularHessian.

   Public Member Functions
       ReadMolecularHessian (const Ref< KeyVal > &)
           The ReadMolecularHessian KeyVal constructor is used to generate a ReadMolecularHessian
           object from the input.
       ReadMolecularHessian (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
       char * filename_

   Additional Inherited Members

Detailed Description

       ReadMolecularHessian is an implementation of MolecularHessian that reads the hessian from
       a file.

Constructor & Destructor Documentation

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

       KeywordTypeDefaultDescription filenamestringbasename .hessThe name of the file from which
       the hessian is read.

Member Function Documentation

   void sc::ReadMolecularHessian::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

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