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sc::G96XFunctional - Implements the Gill 1996 (G96) exchange functional.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                            sc::G96XFunctional(3)

Detailed Description

       Implements the Gill 1996 (G96) exchange functional.

       P. M. W. Gill, Mol. Phys., 89(2), pp. 433-445, 1996.

Member Function Documentation

voidsc::G96XFunctional::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::DenFunctional.

Name

       sc::G96XFunctional - Implements the Gill 1996 (G96) exchange functional.

Synopsis

       #include <functional.h>

       Inherits sc::DenFunctional.

   PublicMemberFunctionsG96XFunctional (const Ref< KeyVal > &)
       G96XFunctional (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.
       int need_density_gradient ()
       void point (const PointInputData &, PointOutputData &)

   ProtectedMemberFunctions
       void init_constants ()

   ProtectedAttributes
       double b_AdditionalInheritedMembers

See Also