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 *)

   Additional Inherited Members

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::SCF.

Author

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