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_
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
- Generated automatically by Doxygen for MPQC from the source code.