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NAME

       sc::UHF -

       This provides an unrestricted Hartree-Fock implementation.

SYNOPSIS

       #include <uhf.h>

       Inherits sc::UnrestrictedSCF.

   Public Member Functions
       UHF (StateIn &)
       UHF (const Ref< KeyVal > &)
           The UHF KeyVal constructor reads no keywords.
       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 print (std::ostream &o=ExEnv::out0()) const
           Print information about the object.
       void two_body_energy (double &ec, double &ex)
       int value_implemented () const
           Information about the availability of values, gradients, and
           hessians.
       int gradient_implemented () const

   Protected Member Functions
       void ao_fock (double accuracy)
       void two_body_deriv (double *)

Detailed Description

       This provides an unrestricted Hartree-Fock implementation.

Constructor & Destructor Documentation

   sc::UHF::UHF (const Ref< KeyVal > &)
       The UHF KeyVal constructor reads no keywords. All necessary information
       is gathered by base class KeyVal constructors.

Member Function Documentation

   void sc::UHF::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::UnrestrictedSCF.

   int sc::UHF::value_implemented () const [virtual]
       Information about the availability of values, gradients, and hessians.

       Reimplemented from sc::Function.

Author

       Generated automatically by Doxygen for MPQC from the source code.