FftContainer Class Reference

Collaboration diagram for FftContainer:

Public Member Functions
	FftContainer (int nx, int ny, int nz)
double	getRsValue (int x, int y, int z, int cplex) const
void	setRsValue (int x, int y, int z, int cplex, double value)
double	getKsValue (int x, int y, int z, int cplex) const
void	setKsValue (int x, int y, int z, int cplex, double value)
int	getNx () const
int	getNy () const
int	getNz () const
int	getIndex (int x, int y, int z) const
int	getQboxIndex (int x, int y, int z) const
	~FftContainer ()
void	executeFFT ()
void	fixRsNorm (double factor)
void	fixKsNorm (double factor)
double	getL2NormRS () const
double	getL2NormKS () const

Public Attributes
int	fullSize
fftw_complex *	rspace
fftw_complex *	kspace

Private Attributes
fftw_plan	plan_
int	nx_
int	ny_
int	nz_

Detailed Description

Definition at line 16 of file FftContainer.h.

Constructor & Destructor Documentation

FftContainer()

FftContainer	(	int	nx,
		int	ny,
		int	nz
	)

Definition at line 65 of file FftContainer.h.

References fullSize, kspace, nx_, ny_, nz_, plan_, and rspace.

{
  nx_      = nx;
  ny_      = ny;
  nz_      = nz;
  fullSize = nx_ * ny_ * nz_;
  rspace   = (fftw_complex*)fftw_malloc(fullSize * sizeof(fftw_complex));
  kspace   = (fftw_complex*)fftw_malloc(fullSize * sizeof(fftw_complex));
  plan_    = fftw_plan_dft_3d(nx_, ny_, nz_, rspace, kspace, -1, FFTW_ESTIMATE);
}

~FftContainer()

~FftContainer

(

)

Definition at line 76 of file FftContainer.h.

References kspace, plan_, and rspace.

{
  fftw_destroy_plan(plan_);
  fftw_free(rspace);
  fftw_free(kspace);
}

Member Function Documentation

executeFFT()

void executeFFT

(

)

Definition at line 83 of file FftContainer.h.

References plan_.

Referenced by EshdfFile::readInEigFcn().

{ fftw_execute(plan_); }

fixKsNorm()

void fixKsNorm ( double  factor )

inline

Definition at line 51 of file FftContainer.h.

References fullSize, and kspace.

Referenced by EshdfFile::readInEigFcn().

  {
    for (int i = 0; i < fullSize; i++)
    {
      kspace[i][0] *= factor;
      kspace[i][1] *= factor;
    }
  }

fixRsNorm()

void fixRsNorm ( double  factor )

inline

Definition at line 43 of file FftContainer.h.

References fullSize, and rspace.

  {
    for (int i = 0; i < fullSize; i++)
    {
      rspace[i][0] *= factor;
      rspace[i][1] *= factor;
    }
  }

getIndex()

int getIndex ( int  x, int  y, int  z  ) const

inline

Definition at line 38 of file FftContainer.h.

References ny_, and nz_.

Referenced by getKsValue(), getRsValue(), setKsValue(), and setRsValue().

{ return z + y * nz_ + x * ny_ * nz_; }

getKsValue()

double getKsValue	(	int	x,
		int	y,
		int	z,
		int	cplex
	)		const

Definition at line 112 of file FftContainer.h.

References getIndex(), and kspace.

{ return kspace[getIndex(x, y, z)][cplex]; }

getL2NormKS()

double getL2NormKS

(

)

const

Definition at line 95 of file FftContainer.h.

References fullSize, and kspace.

{
  double l2norm = 0.0;
  for (int i = 0; i < fullSize; i++)
  {
    l2norm += (kspace[i][0] * kspace[i][0] + kspace[i][1] * kspace[i][1]);
  }
  return l2norm;
}

getL2NormRS()

double getL2NormRS

(

)

const

Definition at line 85 of file FftContainer.h.

References fullSize, and rspace.

{
  double l2norm = 0.0;
  for (int i = 0; i < fullSize; i++)
  {
    l2norm += (rspace[i][0] * rspace[i][0] + rspace[i][1] * rspace[i][1]);
  }
  return l2norm;
}

getNx()

int getNx ( ) const

inline

Definition at line 34 of file FftContainer.h.

References nx_.

Referenced by EshdfFile::readInEigFcn().

{ return nx_; }

getNy()

int getNy ( ) const

inline

Definition at line 35 of file FftContainer.h.

References ny_.

Referenced by EshdfFile::readInEigFcn().

{ return ny_; }

getNz()

int getNz ( ) const

inline

Definition at line 36 of file FftContainer.h.

References nz_.

Referenced by EshdfFile::readInEigFcn().

{ return nz_; }

getQboxIndex()

int getQboxIndex ( int  x, int  y, int  z  ) const

inline

Definition at line 39 of file FftContainer.h.

References nx_, and ny_.

Referenced by EshdfFile::readInEigFcn().

{ return x + y * nx_ + z * ny_ * nx_; }

getRsValue()

double getRsValue	(	int	x,
		int	y,
		int	z,
		int	cplex
	)		const

Definition at line 105 of file FftContainer.h.

References getIndex(), and rspace.

{ return rspace[getIndex(x, y, z)][cplex]; }

setKsValue()

void setKsValue	(	int	x,
		int	y,
		int	z,
		int	cplex,
		double	value
	)

Definition at line 114 of file FftContainer.h.

References getIndex(), and kspace.

{
  kspace[getIndex(x, y, z)][cplex] = value;
}

setRsValue()

void setRsValue	(	int	x,
		int	y,
		int	z,
		int	cplex,
		double	value
	)

Definition at line 107 of file FftContainer.h.

References getIndex(), and rspace.

{
  rspace[getIndex(x, y, z)][cplex] = value;
}

Member Data Documentation

fullSize

int fullSize

Definition at line 23 of file FftContainer.h.

Referenced by FftContainer(), fixKsNorm(), fixRsNorm(), getL2NormKS(), getL2NormRS(), EshdfFile::handleSpinGroup(), and EshdfFile::readInEigFcn().

kspace

fftw_complex* kspace

Definition at line 25 of file FftContainer.h.

Referenced by FftContainer(), fixKsNorm(), getKsValue(), getL2NormKS(), EshdfFile::handleSpinGroup(), setKsValue(), and ~FftContainer().

nx_

int nx_

private

Definition at line 20 of file FftContainer.h.

Referenced by FftContainer(), getNx(), and getQboxIndex().

ny_

int ny_

private

Definition at line 20 of file FftContainer.h.

Referenced by FftContainer(), getIndex(), getNy(), and getQboxIndex().

nz_

int nz_

private

Definition at line 20 of file FftContainer.h.

Referenced by FftContainer(), getIndex(), and getNz().

plan_

fftw_plan plan_

private

Definition at line 19 of file FftContainer.h.

Referenced by executeFFT(), FftContainer(), and ~FftContainer().

rspace

fftw_complex* rspace

Definition at line 24 of file FftContainer.h.

Referenced by FftContainer(), fixRsNorm(), getL2NormRS(), getRsValue(), EshdfFile::readInEigFcn(), setRsValue(), and ~FftContainer().

---

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCTools/FftContainer.h