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VWNLCFunctional Class Reference

An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived. More...

#include <functional.h>

Inheritance diagram for VWNLCFunctional

[legend]Collaboration diagram for VWNLCFunctional:

[legend]List of all members.

Public Methods
	VWNLCFunctional ()
	VWNLCFunctional (const Ref< KeyVal > &)
	VWNLCFunctional (StateIn &)
	~VWNLCFunctional ()
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...
virtual void	point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)
Protected Methods
void	init_constants ()
double	F (double x, double A, double x0, double b, double c)
double	dFdr_s (double x, double A, double x0, double b, double c)
Protected Attributes
double	Ap_
double	Af_
double	A_alpha_
double	x0p_mc_
double	bp_mc_
double	cp_mc_
double	x0f_mc_
double	bf_mc_
double	cf_mc_
double	x0p_rpa_
double	bp_rpa_
double	cp_rpa_
double	x0f_rpa_
double	bf_rpa_
double	cf_rpa_
double	x0_alpha_mc_
double	b_alpha_mc_
double	c_alpha_mc_
double	x0_alpha_rpa_
double	b_alpha_rpa_
double	c_alpha_rpa_

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Detailed Description

An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived.

S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, pp. 1200-1211, 1980.

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Member Function Documentation

void VWNLCFunctional::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 LSDACFunctional. Reimplemented in VWN1LCFunctional, VWN2LCFunctional, VWN3LCFunctional, VWN4LCFunctional, and VWN5LCFunctional.

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

• functional.h

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