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sc::VWN1LCFunctional(3) MPQC sc::VWN1LCFunctional(3)

sc::VWN1LCFunctional - The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).

#include <functional.h>

Inherits sc::VWNLCFunctional.


VWN1LCFunctional ()
Construct a VWN1 functional using Monte-Carlo parameters. VWN1LCFunctional (int use_rpa)
Construct a VWN1 functional using the RPA parameters. VWN1LCFunctional (const Ref< KeyVal > &)
Construct a VWN1 functional using the Monte-Carlo parameters by default. VWN1LCFunctional (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 &)


double x0p_
double bp_
double cp_
double x0f_
double bf_
double cf_

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).

Construct a VWN1 functional using the Monte-Carlo parameters by default. If rpa is set to true, then load the RPA paramenters. Furthermore, each value can be overridden by assigning to x0p, bp, cp, x0f, bf, and/or cf.

Reimplemented from sc::VWNLCFunctional.

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.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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