sc::Becke88XFunctional - Implements Becke's 1988 exchange functional.
Contents
Detailed Description
Implements Becke's 1988 exchange functional.
A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.
Member Function Documentation
voidsc::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.
Name
sc::Becke88XFunctional - Implements Becke's 1988 exchange functional.
Synopsis
#include <functional.h>
Inherits sc::DenFunctional.
PublicMemberFunctionsBecke88XFunctional (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 &)
ProtectedAttributes
double beta_
double beta6_AdditionalInheritedMembers