NAME

       sc::VWN1LCFunctional - The VWN1LCFunctional computes energies and densities using the VWN1
       local correlation term (from Vosko, Wilk, and Nusair).

SYNOPSIS

       #include <functional.h>

       Inherits sc::VWNLCFunctional.

   Public Member Functions
       VWN1LCFunctional ()
           Construct a VWN1 functional using Monte-Carlo parameters.
       VWN1LCFunctional (int use_rpa)
           Construct a VWN1 functional using the RPA parameters.
       VWN1LCFunctional (const Ref< KeyVal > &)
           Construct a VWN1 functional using the Monte-Carlo parameters by default.
       VWN1LCFunctional (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.
       void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)

   Protected Attributes
       double x0p_
       double bp_
       double cp_
       double x0f_
       double bf_
       double cf_

   Additional Inherited Members

Detailed Description

       The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term
       (from Vosko, Wilk, and Nusair).

Constructor & Destructor Documentation

   sc::VWN1LCFunctional::VWN1LCFunctional (const Ref< KeyVal > &)
       Construct a VWN1 functional using the Monte-Carlo parameters by default. If rpa is set to
       true, then load the RPA paramenters. Furthermore, each value can be overridden by
       assigning to x0p, bp, cp, x0f, bf, and/or cf.

Member Function Documentation

   void sc::VWN1LCFunctional::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::VWNLCFunctional.

Author

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