sc::LSDACFunctional
An abstract base class for local correlation functionals.
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
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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
Detailed Description
An abstract base class for local correlation functionals.
Member Function Documentation
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::PZ81LCFunctional, sc::PW92LCFunctional, sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional, sc::VWN2LCFunctional, sc::VWN1LCFunctional, and sc::VWNLCFunctional.
Author
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