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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
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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