Google

Main Page   Class Hierarchy   Compound List   File List   Compound Members   Related Pages  

sc::VWN2LCFunctional Class Reference

The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair). More...

#include <functional.h>

Inheritance diagram for sc::VWN2LCFunctional:

Inheritance graph
[legend]
Collaboration diagram for sc::VWN2LCFunctional:

Collaboration graph
[legend]
List of all members.

Public Methods

 VWN2LCFunctional ()
 Construct a VWN2 functional.

 VWN2LCFunctional (const Ref< KeyVal > &)
 Construct a VWN2 functional.

 VWN2LCFunctional (StateIn &)
 ~VWN2LCFunctional ()
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. More...

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.


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:17:30 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.