sc_G96XFunctional (3) - Linux Manuals

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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