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_
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
- Generated automatically by Doxygen for MPQC from the source code.