table of contents
| sc::Becke88XFunctional(3) | MPQC | sc::Becke88XFunctional(3) |
NAME¶
sc::Becke88XFunctional - Implements Becke's 1988 exchange functional.
SYNOPSIS¶
#include <functional.h>
Inherits sc::DenFunctional.
Public Member Functions¶
Becke88XFunctional (const Ref< KeyVal >
&)
Becke88XFunctional (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 Attributes¶
double beta_
double beta6_
Additional Inherited Members¶
Detailed Description¶
Implements Becke's 1988 exchange functional.
A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.
Member Function Documentation¶
int sc::Becke88XFunctional::need_density_gradient () [virtual]¶
Reimplemented from sc::DenFunctional.
void sc::Becke88XFunctional::point (const PointInputData &, PointOutputData &) [virtual]¶
Implements sc::DenFunctional.
void sc::Becke88XFunctional::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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| Fri Dec 2 2022 | Version 2.3.1 |