sc::pw86xfunctional(3)
NAME
sc::PW86XFunctional - Implements the Perdew-Wang 1986 (PW86) Exchange
functional.
SYNOPSIS
#include <functional.h> Inherits sc::DenFunctional. Public Member Functions PW86XFunctional (const Ref< KeyVal > &) PW86XFunctional (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. int need_density_gradient () void point (const PointInputData &, PointOutputData &) Protected Member Functions void init_constants () Protected Attributes double a_ double b_ double c_ double m_
Detailed Description
Implements the Perdew-Wang 1986 (PW86) Exchange functional.
J. P. Perdew and Y. Wang, Phys. Rev. B, 33(12), pp 8800-8802, 1986.
Member Function Documentation
- void sc::PW86XFunctional::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.
Author
- Generated automatically by Doxygen for MPQC from the source code.