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 ()
Additional Inherited Members
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.
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