sc::UHF - This provides an unrestricted Hartree-Fock implementation.

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

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

       This provides an unrestricted Hartree-Fock implementation.

voidsc::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.

       sc::UHF - This provides an unrestricted Hartree-Fock implementation.

       #include <uhf.h>

       Inherits sc::UnrestrictedSCF.

   PublicMemberFunctionsUHF (StateIn &)
       UHF (const Ref< KeyVal > &)
           The UHFKeyVal 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

   ProtectedMemberFunctions
       void ao_fock (double accuracy)
       void two_body_deriv (double *)

   AdditionalInheritedMembers