sc::ReadMolecularHessian Class Reference

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

#include <hess.h>

Inheritance diagram for sc::ReadMolecularHessian:

sc::MolecularHessian sc::SavableState sc::DescribedClass sc::RefCount sc::Identity List of all members.

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_

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.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:47 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.