sc_G96XFunctional3
Implements the gill 1996 (g96) exchange functional.
Usage
#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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.