sc_VWN2LCFunctional (3) - Linux Manuals
NAME
sc::VWN2LCFunctional -
The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).
SYNOPSIS
#include <functional.h>
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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