NAME

       sc::PW86XFunctional - Implements the Perdew-Wang 1986 (PW86) Exchange functional.

SYNOPSIS

       #include <functional.h>

       Inherits sc::DenFunctional.

   Public Member Functions
       PW86XFunctional (const Ref< KeyVal > &)
       PW86XFunctional (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 &)

   Protected Member Functions
       void init_constants ()

   Protected Attributes
       double a_
       double b_
       double c_
       double m_

   Additional Inherited Members

Detailed Description

       Implements the Perdew-Wang 1986 (PW86) Exchange functional.

       J. P. Perdew and Y. Wang, Phys. Rev. B, 33(12), pp 8800-8802, 1986.

Member Function Documentation

   void sc::PW86XFunctional::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.

Author

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