DragonFly On-Line Manual Pages

Search: Section:  

sc::VWN1LCFunctional(3)              MPQC              sc::VWN1LCFunctional(3)


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
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                   Fri Feb 19 2016        sc::VWN1LCFunctional(3)

Search: Section: