sc::VWN4LCFunctional
The VWN4LCFunctional computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair).
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
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SYNOPSIS
#include <functional.h>
Inherits sc::VWNLCFunctional.
Public Member Functions
VWN4LCFunctional (const Ref< KeyVal >
&)
VWN4LCFunctional (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_
Detailed Description
The VWN4LCFunctional computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair).
Member Function Documentation
void sc::VWN4LCFunctional::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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