sc::VWN3LCFunctional - The VWN3LCFunctional computes energies and densities using the VWN3 local
Contents
Detailed Description
The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko,
Wilk, and Nusair).
Member Function Documentation
voidsc::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.
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.
PublicMemberFunctionsVWN3LCFunctional (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 &)
ProtectedAttributes
int monte_carlo_prefactor_
int monte_carlo_e0_AdditionalInheritedMembers