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sc::G96XFunctional(3)                MPQC                sc::G96XFunctional(3)

NAME

sc::G96XFunctional - Implements the Gill 1996 (G96) exchange functional.

SYNOPSIS

#include <functional.h> Inherits sc::DenFunctional. Public Member Functions G96XFunctional (const Ref< KeyVal > &) G96XFunctional (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 Member Functions void init_constants () Protected Attributes double b_ Additional Inherited Members Detailed Description Implements the Gill 1996 (G96) exchange functional. P. M. W. Gill, Mol. Phys., 89(2), pp. 433-445, 1996. Member Function Documentation void sc::G96XFunctional::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. Version 2.3.1 Fri Feb 19 2016 sc::G96XFunctional(3)

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