MPQC
2.3.1
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An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived. More...
#include <functional.h>
Public Member Functions | |
VWNLCFunctional (const Ref< KeyVal > &) | |
VWNLCFunctional (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. | |
virtual void | point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) |
Protected Member Functions | |
void | init_constants () |
double | F (double x, double A, double x0, double b, double c) |
double | dFdr_s (double x, double A, double x0, double b, double c) |
Protected Attributes | |
double | Ap_ |
double | Af_ |
double | A_alpha_ |
double | x0p_mc_ |
double | bp_mc_ |
double | cp_mc_ |
double | x0f_mc_ |
double | bf_mc_ |
double | cf_mc_ |
double | x0p_rpa_ |
double | bp_rpa_ |
double | cp_rpa_ |
double | x0f_rpa_ |
double | bf_rpa_ |
double | cf_rpa_ |
double | x0_alpha_mc_ |
double | b_alpha_mc_ |
double | c_alpha_mc_ |
double | x0_alpha_rpa_ |
double | b_alpha_rpa_ |
double | c_alpha_rpa_ |
An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived.
S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, pp. 1200-1211, 1980.
void sc::VWNLCFunctional::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::LSDACFunctional.
Reimplemented in sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional, sc::VWN2LCFunctional, and sc::VWN1LCFunctional.