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sc::VWN1LCFunctional - The VWN1LCFunctional computes energies and densities using the VWN1 local

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                          sc::VWN1LCFunctional(3)

Constructor & Destructor Documentation

sc::VWN1LCFunctional::VWN1LCFunctional(constRef<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.

Detailed Description

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

Member Function Documentation

voidsc::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.

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.

   PublicMemberFunctionsVWN1LCFunctional ()
           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 &)

   ProtectedAttributes
       double x0p_
       double bp_
       double cp_
       double x0f_
       double bf_
       double cf_AdditionalInheritedMembers

See Also