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sc::VWNLCFunctional - An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Detailed Description

       An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional
       (1, 2, 3, 4, 5) classes are derived.

       S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, pp. 1200-1211, 1980.

Member Function Documentation

voidsc::VWNLCFunctional::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::LSDACFunctional.

       Reimplemented in sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional, sc::VWN2LCFunctional,
       and sc::VWN1LCFunctional.

Name

       sc::VWNLCFunctional - An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local
       correlation functional (1, 2, 3, 4, 5) classes are derived.

Synopsis

       #include <functional.h>

       Inherits sc::LSDACFunctional.

       Inherited by sc::VWN1LCFunctional, sc::VWN2LCFunctional, sc::VWN3LCFunctional, sc::VWN4LCFunctional, and
       sc::VWN5LCFunctional.

   PublicMemberFunctionsVWNLCFunctional (const Ref< KeyVal > &)
       VWNLCFunctional (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.
       virtual void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)

   ProtectedMemberFunctions
       void init_constants ()
       double F (double x, double A, double x0, double b, double c)
       double dFdr_s (double x, double A, double x0, double b, double c)

   ProtectedAttributes
       double Ap_
       double Af_
       double A_alpha_
       double x0p_mc_
       double bp_mc_
       double cp_mc_
       double x0f_mc_
       double bf_mc_
       double cf_mc_
       double x0p_rpa_
       double bp_rpa_
       double cp_rpa_
       double x0f_rpa_
       double bf_rpa_
       double cf_rpa_
       double x0_alpha_mc_
       double b_alpha_mc_
       double c_alpha_mc_
       double x0_alpha_rpa_
       double b_alpha_rpa_
       double c_alpha_rpa_AdditionalInheritedMembers

See Also