sc::VWN3LCFunctional(3) MPQC sc::VWN3LCFunctional(3)NAME
sc::VWN3LCFunctional - The VWN3LCFunctional computes energies and
densities using the VWN3 local correlation term (from Vosko, Wilk, and
Nusair).
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_
Additional Inherited Members
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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Version 2.3.1 Fri Feb 19 2016 sc::VWN3LCFunctional(3)
