sc::vwn2lcfunctional(3)
NAME
sc::VWN2LCFunctional - The VWN2LCFunctional computes energies and
densities using the VWN2 local correlation term (from Vosko, Wilk, and
Nusair).
SYNOPSIS
#include <functional.h> Inherits sc::VWNLCFunctional. Public Member Functions VWN2LCFunctional () Construct a VWN2 functional. VWN2LCFunctional (const Ref< KeyVal > &) Construct a VWN2 functional. VWN2LCFunctional (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. void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)
Detailed Description
The VWN2LCFunctional computes energies and densities using the VWN2
local correlation term (from Vosko, Wilk, and Nusair).
Member Function Documentation
- void sc::VWN2LCFunctional::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::VWNLCFunctional.
Author
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