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sc::ReadMolecularHessian - ReadMolecularHessian is an implementation of MolecularHessian that reads the

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                      sc::ReadMolecularHessian(3)

Constructor & Destructor Documentation

sc::ReadMolecularHessian::ReadMolecularHessian(constRef<KeyVal>&)
       The ReadMolecularHessianKeyVal 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.

Detailed Description

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

Member Function Documentation

voidsc::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.

Name

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

Synopsis

       #include <hess.h>

       Inherits sc::MolecularHessian.

   PublicMemberFunctionsReadMolecularHessian (const Ref< KeyVal > &)
           The ReadMolecularHessianKeyVal 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.
       RefSymmSCMatrixcartesian_hessian ()
           Return the hessian in cartesian coordinates.

   ProtectedAttributes
       char * filename_AdditionalInheritedMembers

See Also