sc::Becke88XFunctional Class Reference

Implements Becke's 1988 exchange functional. More...

#include <functional.h>

Inheritance diagram for sc::Becke88XFunctional:

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

Public Member Functions

 Becke88XFunctional (const Ref< KeyVal > &)
 Becke88XFunctional (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 Attributes

double beta_
double beta6_

Detailed Description

Implements Becke's 1988 exchange functional.

A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.


Member Function Documentation

void sc::Becke88XFunctional::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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