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sc::LYPCFunctional Class Reference Implements the Lee, Yang, and Parr functional. More... #include <functional.h> Inheritance diagram for sc::LYPCFunctional: [legend]Collaboration diagram for sc::LYPCFunctional: [legend]List of all members. Public Methods   LYPCFunctional ()   LYPCFunctional (const Ref< KeyVal > &)   LYPCFunctional (StateIn &)   ~LYPCFunctional () 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... int  need_density_gradient () void  point (const PointInputData &, PointOutputData &) Protected Methods void  init_constants () Protected Attributes double  a_ double  b_ double  c_ double  d_ Detailed Description Implements the Lee, Yang, and Parr functional. B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett., 157(3), pp. 200-206, 1989. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37(2), pp 785-789, 1988. Member Function Documentation void sc::LYPCFunctional::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::DenFunctional. The documentation for this class was generated from the following file: functional.h