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

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