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VWN3LCFunctional Class Reference

The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair). More...

#include <functional.h>

Inheritance diagram for VWN3LCFunctional

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Collaboration diagram for VWN3LCFunctional:

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List of all members.

Public Methods

 VWN3LCFunctional (int mcp=1, int mce0=1)
 VWN3LCFunctional (const Ref< KeyVal > &)
 VWN3LCFunctional (StateIn &)
 ~VWN3LCFunctional ()
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 &)

Protected Attributes

int monte_carlo_prefactor_
int monte_carlo_e0_

Detailed Description

The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair).


Member Function Documentation

void VWN3LCFunctional::save_data_state ( StateOut & s ) [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 VWNLCFunctional.


The documentation for this class was generated from the following file:
Generated at Thu Oct 4 18:10:11 2001 for MPQC 2.0.0 using the documentation package Doxygen 1.2.5.