SYNOPSIS

#include <functional.h>

Inherits sc::VWNLCFunctional.

Public Member Functions

VWN3LCFunctional (int mcp=1, int mce0=1)

VWN3LCFunctional (const Ref< KeyVal > &)

VWN3LCFunctional (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

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 sc::VWN3LCFunctional::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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