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sc::VWN1LCFunctional Class Reference The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair). More... #include <functional.h> Inheritance diagram for sc::VWN1LCFunctional: [legend]Collaboration diagram for sc::VWN1LCFunctional: [legend]List of all members. Public Methods   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. More...   VWN1LCFunctional (StateIn &)   ~VWN1LCFunctional () 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. More... void  point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) Protected Attributes double  x0p_ double  bp_ double  cp_ double  x0f_ double  bf_ double  cf_ 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. The documentation for this class was generated from the following file: functional.h