MPQC 2.3.1

- Main Page
- Related Pages
- Classes
- Files

- Class List
- Class Hierarchy
- Class Members

Public Member Functions | Protected Attributes
sc::VWN1LCFunctional Class Reference

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair). More...

`#include <functional.h>`

Inheritance diagram for sc::VWN1LCFunctional:

List of all members.

## Public Member Functions

| VWN1LCFunctional ()
| Construct a VWN1 functional using Monte-Carlo parameters.
| VWN1LCFunctional (int use_rpa)
| Construct a VWN1 functional using the RPA parameters.
| VWN1LCFunctional (const Ref< KeyVal > &)
| Construct a VWN1 functional using the Monte-Carlo parameters by default.
| VWN1LCFunctional (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 &)

## Protected Attributes

double | x0p_
double | bp_
double | cp_
double | x0f_
double | bf_
double | cf_

## Detailed Description

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).

## Constructor & Destructor Documentation

sc::VWN1LCFunctional::VWN1LCFunctional | ( | const Ref< KeyVal > & |  | ) |

Construct a VWN1 functional using the Monte-Carlo parameters by default.

If rpa is set to true, then load the RPA paramenters. Furthermore, each value can be overridden by assigning to x0p, bp, cp, x0f, bf, and/or cf.

## Member Function Documentation

void sc::VWN1LCFunctional::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:

- functional.h