sc::LSDACFunctional

NAME

sc::LSDACFunctional - An abstract base class for local correlation functionals.

SYNOPSIS

#include <functional.h>

Inherits sc::DenFunctional.

Inherited by sc::PW92LCFunctional, sc::PZ81LCFunctional, and sc::VWNLCFunctional.

Public Member Functions

LSDACFunctional (const Ref< KeyVal > &)
LSDACFunctional (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 (const PointInputData &, PointOutputData &)
virtual void point_lc (const PointInputData &, PointOutputData &, double &ec_local, double &decrs, double &deczeta)=0

Additional Inherited Members

Detailed Description

An abstract base class for local correlation functionals.

Member Function Documentation

void sc::LSDACFunctional::point (const PointInputData &, PointOutputData &)[virtual]

Implements sc::DenFunctional.

void sc::LSDACFunctional::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::DenFunctional.

Reimplemented in sc::VWNLCFunctional, sc::VWN1LCFunctional, sc::VWN2LCFunctional, sc::VWN3LCFunctional, sc::VWN4LCFunctional, sc::VWN5LCFunctional, sc::PW92LCFunctional, and sc::PZ81LCFunctional.

Author

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