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Man Pages


Manual Reference Pages  -  SC_VWN2LCFUNCTIONAL (3)

NAME

sc::VWN2LCFunctional - The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).

CONTENTS

Synopsis

SYNOPSIS

#include <functional.h>

Inherits sc::VWNLCFunctional.

    Public Member Functions

    VWN2LCFunctional ()
Construct a VWN2 functional.     VWN2LCFunctional (const Ref< KeyVal > &)
Construct a VWN2 functional.     VWN2LCFunctional (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.     void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)

    Additional Inherited Members

Detailed Description

The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).

Member Function Documentation

void sc::VWN2LCFunctional::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::VWNLCFunctional.

Author

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::VWN2LCFUNCTIONAL (3) Sun Apr 3 2016

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