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VWN1LCFunctional Class Reference

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair). More...

#include <functional.h>

Inheritance diagram for VWN1LCFunctional

[legend]Collaboration diagram for VWN1LCFunctional:

[legend]List of all members.

Public Methods
	VWN1LCFunctional ()
	Construct a VWN1 functional using Monte-Carlo parameters.
	VWN1LCFunctional (int use_rpa)
	Construct a VWN1 functional using the RPA parameters.
	VWN1LCFunctional (const Ref< KeyVal > &)
	Construct a VWN1 functional using the Monte-Carlo parameters by default. More...
	VWN1LCFunctional (StateIn &)
	~VWN1LCFunctional ()
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...
void	point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)
Protected Attributes
double	x0p_
double	bp_
double	cp_
double	x0f_
double	bf_
double	cf_

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Detailed Description

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).

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Constructor & Destructor Documentation

VWN1LCFunctional::VWN1LCFunctional ( const Ref< KeyVal > & )

Construct a VWN1 functional using the Monte-Carlo parameters by default. If rpa is set to true, then load the RPA paramenters. Furthermore, each value can be overridden by assigning to x0p, bp, cp, x0f, bf, and/or cf.

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Member Function Documentation

void VWN1LCFunctional::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 VWNLCFunctional.

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

• functional.h

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