NAME

       sc::LYPCFunctional - Implements the Lee, Yang, and Parr functional.

SYNOPSIS

       #include <functional.h>

       Inherits sc::DenFunctional.

   Public Member Functions
       LYPCFunctional (const Ref< KeyVal > &)
       LYPCFunctional (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 d_

   Additional Inherited Members

Detailed Description

       Implements the Lee, Yang, and Parr functional.

       B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett., 157(3), pp. 200-206,
       1989.

       C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37(2), pp 785-789, 1988.

Member Function Documentation

   void sc::LYPCFunctional::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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