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Man Pages


Manual Reference Pages  -  SC_P86CFUNCTIONAL (3)

NAME

sc::P86CFunctional - Implements the Perdew 1986 (P86) correlation functional.

CONTENTS

Synopsis

SYNOPSIS

#include <functional.h>

Inherits sc::DenFunctional.

    Public Member Functions

    P86CFunctional (const Ref< KeyVal > &)    
P86CFunctional (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 C1_    
double C2_    
double C3_    
double C4_    
double C5_    
double C6_    
double C7_

    Additional Inherited Members

Detailed Description

Implements the Perdew 1986 (P86) correlation functional.

J. P. Perdew, Phys. Rev. B, 33(12), pp. 8822-8824.

J. P. Perdew, Phys. Rev. B. 34(10), pp. 7406.

Member Function Documentation

void sc::P86CFunctional::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

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::P86CFUNCTIONAL (3) Sun Apr 3 2016

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