Manual Reference Pages - SC_VWNLCFUNCTIONAL (3)
sc::VWNLCFunctional - An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived.
Inherited by sc::VWN1LCFunctional, sc::VWN2LCFunctional, sc::VWN3LCFunctional, sc::VWN4LCFunctional, and sc::VWN5LCFunctional.
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)
Additional Inherited Members
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.
Member Function Documentation
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.
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|Version 2.3.1 ||SC::VWNLCFUNCTIONAL (3) ||Sun Apr 3 2016 |
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