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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