#include <functional.h>
Inheritance diagram for sc::PW91CFunctional:
Public Member Functions | |
PW91CFunctional (const Ref< KeyVal > &) | |
PW91CFunctional (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 | limit_df_drhoa (double rhoa, double gamma, double ec, double decdrhoa) |
Protected Attributes | |
Ref< LSDACFunctional > | local_ |
double | a |
double | b |
double | c |
double | d |
double | alpha |
double | c_c0 |
double | c_x |
double | nu |
J. P. Perdew, Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids held in Gaussig (Germany), March 11-15, 1991, P. Ziesche and H. Eschrig, eds., pp. 11-20.
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B, 46, 6671, 1992.
void sc::PW91CFunctional::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.