table of contents
sc::G96XFunctional(3) | MPQC | 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_
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¶
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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Sun Oct 4 2020 | Version 2.3.1 |