sc_VWN3LCFunctional3
The vwn3lcfunctional computes energies and densities using the vwn3 local correlation term (from vosko, wilk, and nusair).
Usage
#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::point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) [virtual]
Reimplemented from sc::VWNLCFunctional.
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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.