#include <functional.h>
Inheritance diagram for sc::PBECFunctional:
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 | |
void | init_constants () |
double | rho_deriv (double rho_a, double rho_b, double mdr, double ec_local, double ec_local_dra) |
double | gab_deriv (double rho, double phi, double mdr, double ec_local) |
Protected Attributes | |
Ref< LSDACFunctional > | local_ |
double | gamma |
double | beta |
John P. Perdew, Kieron Burke, and Yue Wang, Phys. Rev. B, 54(23), pp. 16533-16539, 1996.
John P. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys. Rev. Lett., 77(18), pp. 3865-3868, 1996.
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.