sc::P86CFunctional Class Reference

Implements the Perdew 1986 (P86) correlation functional. More...

#include <functional.h>

Inheritance diagram for sc::P86CFunctional:

sc::DenFunctional sc::SavableState sc::DescribedClass sc::RefCount sc::Identity List of all members.

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_

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.


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