sc::Becke88XFunctional
Implements Becke's 1988 exchange functional.
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
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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_
Detailed Description
Implements Becke's 1988 exchange functional.
A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.
Member Function Documentation
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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