Pscf::Rpg::IntraCorrelation< D > Class Template Reference

Intramolecular correlation analyzer. More...

#include <IntraCorrelation.h>

Inheritance diagram for Pscf::Rpg::IntraCorrelation< D >:

Public Member Functions
	IntraCorrelation (System< D > const &system)
	Constructor.
void	computeOmegaTotal (RField< D > &correlations)
	Compute total intramolecular correlation function (all blocks).
void	computeOmegaTotal (Array< typename Types< D >::Real > &correlations)
	Compute total intramolecular correlation function (all blocks).
Public Member Functions inherited from Pscf::Rp::IntraCorrelation< D, Types< D > >
void	computeOmegaTotal (Array< typename Types< D >::Real > &correlations)
	Compute total intramolecular correlation function (all blocks).

Additional Inherited Members
Protected Member Functions inherited from Pscf::Rp::IntraCorrelation< D, Types< D > >
	IntraCorrelation (typename Types< D >::System const &system)
	Constructor.
	~IntraCorrelation ()
	Destructor.
void	getMeshDimensions ()
	Get and store r-grid and kgrid-mesh dimensions.
void	computeGsq ()
	Compute array of squared wavevectors.
Types< D >::System const &	system () const
	Get the parent system by const ref.

Detailed Description

template<int D>
class Pscf::Rpg::IntraCorrelation< D >

Intramolecular correlation analyzer.

Specializations of this template with D=1, 2, and 3 are derived from corresponding specializations of the base class template Rp::IntraCorrelation, and inherit most of their source code from this base class.

See also

Rp::IntraCorrelation

Definition at line 47 of file /fts/compressor/IntraCorrelation.h.

Constructor & Destructor Documentation

IntraCorrelation()

template<int D>

Pscf::Rpg::IntraCorrelation< D >::IntraCorrelation

(

System< D > const &

system

)

Constructor.

Parameters

system

parent system object

Definition at line 29 of file IntraCorrelation.cu.

References IntraCorrelation(), and Pscf::Rp::IntraCorrelation< D, Types< D > >::system().

Referenced by IntraCorrelation().

Member Function Documentation

computeOmegaTotal() [1/2]

template<int D>

void Pscf::Rpg::IntraCorrelation< D >::computeOmegaTotal

(

RField< D > &

correlations

)

Compute total intramolecular correlation function (all blocks).

Parameters

correlations

omega values on a k-space mesh

Definition at line 38 of file IntraCorrelation.cu.

References Pscf::DeviceArray< Data >::capacity(), Pscf::Rp::IntraCorrelation< D, Types< D > >::computeOmegaTotal(), Pscf::Rp::IntraCorrelation< D, Types< D > >::getMeshDimensions(), and UTIL_CHECK.

computeOmegaTotal() [2/2]

template<int D>

void Pscf::Rp::IntraCorrelation< D, Types< D > >::computeOmegaTotal

(

Array< typename Types< D >::Real > &

correlations

)

Compute total intramolecular correlation function (all blocks).

Parameters

correlations

omega values on a k-space mesh

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The documentation for this class was generated from the following files:

• /fts/compressor/IntraCorrelation.h
• IntraCorrelation.cu