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PW86XFunctional Class Reference

Implements the Perdew-Wang 1986 (PW86) Exchange functional. More...

#include <functional.h>

Inheritance diagram for PW86XFunctional

[legend]Collaboration diagram for PW86XFunctional:

[legend]List of all members.

Public Methods
	PW86XFunctional ()
	PW86XFunctional (const Ref< KeyVal > &)
	PW86XFunctional (StateIn &)
	~PW86XFunctional ()
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	m_

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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.

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Member Function Documentation

void PW86XFunctional::save_data_state ( StateOut & s ) [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 DenFunctional.

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The documentation for this class was generated from the following file:

• functional.h

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