sc::g96xfunctional(3)

NAME

sc::G96XFunctional - Implements the Gill 1996 (G96) exchange
functional.

SYNOPSIS

#include <functional.h>
Inherits sc::DenFunctional.
Public Member Functions
G96XFunctional (const Ref< KeyVal > &)
G96XFunctional (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 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 sc::G96XFunctional::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

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Version 2.3.1 15 Mar 2008 sc::G96XFunctional(3)