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G96XFunctional Class Reference

Implements the Gill 1996 (G96) exchange functional. More...

#include <functional.h>

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List of all members.

Public Methods

 G96XFunctional ()
 G96XFunctional (const Ref< KeyVal > &)
 G96XFunctional (StateIn &)
 ~G96XFunctional ()
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...

int need_density_gradient ()
void point (const PointInputData &, PointOutputData &)

Protected Methods

void init_constants ()

Protected Attributes

double b_

Detailed Description

Implements the Gill 1996 (G96) exchange functional.

P. M. W. Gill, Mol. Phys., 89(2), pp. 433-445, 1996.


Member Function Documentation

void G96XFunctional::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 DenFunctional.


The documentation for this class was generated from the following file:
Generated at Thu Oct 4 18:09:08 2001 for MPQC 2.0.0 using the documentation package Doxygen 1.2.5.