sc_G96XFunctional - Man Page

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_

Additional Inherited Members

Detailed Description

Implements the Gill 1996 (G96) exchange functional.

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

Member Function Documentation

int sc::G96XFunctional::need_density_gradient () [virtual]

Reimplemented from sc::DenFunctional.

void sc::G96XFunctional::point (const PointInputData &, PointOutputData &) [virtual]

Implements sc::DenFunctional.

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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Info

Thu Jul 21 2022 Version 2.3.1 MPQC