sc_PBECFunctional (3) - Linux Man Pages
Public Member Functions
PBECFunctional (const Ref< KeyVal > &)
PBECFunctional (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 &)
void set_spin_polarized (int)
Protected Member Functions
Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional.
John P. Perdew, Kieron Burke, and Yue Wang, Phys. Rev. B, 54(23), pp. 16533-16539, 1996.
Member Function Documentation
void sc::PBECFunctional::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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