PmeKSpaceCompute Class Reference

#include <PmeSolverUtil.h>

Inheritance diagram for PmeKSpaceCompute:

Public Member Functions
	PmeKSpaceCompute (PmeGrid pmeGrid, const int permutation, const int jblock, const int kblock, double kappa, unsigned int multipleGridIndex=0)
virtual	~PmeKSpaceCompute ()
virtual void	solve (Lattice &lattice, const bool doEnergy, const bool doVirial, float *data)=0
virtual double	getEnergy ()=0
virtual void	getVirial (double *virial)=0
virtual void	setGrid (unsigned int iGrid)

Protected Attributes
PmeGrid	pmeGrid
double *	bm1
double *	bm2
double *	bm3
double	kappa
const int	permutation
const int	jblock
const int	kblock
int	size1
int	size2
int	size3
int	j0
int	k0
unsigned int	multipleGridIndex

Detailed Description

Definition at line 268 of file PmeSolverUtil.h.

Constructor & Destructor Documentation

PmeKSpaceCompute()

PmeKSpaceCompute::PmeKSpaceCompute ( PmeGrid  pmeGrid, const int  permutation, const int  jblock, const int  kblock, double  kappa, unsigned int  multipleGridIndex = 0  )

inline

Definition at line 281 of file PmeSolverUtil.h.

References bm1, bm2, bm3, compute_b_moduli(), getPencilDim(), j0, jblock, k0, PmeGrid::K1, PmeGrid::K2, PmeGrid::K3, kblock, PmeGrid::order, order, permutation, pmeGrid, size1, size2, and size3.

                                                                                          : 
    pmeGrid(pmeGrid), permutation(permutation),
    jblock(jblock), kblock(kblock), kappa(kappa), multipleGridIndex(multipleGridIndex) {

    bm1 = new double[pmeGrid.K1];
    bm2 = new double[pmeGrid.K2];
    bm3 = new double[pmeGrid.K3];
    // Use compute_b_moduli from PmeKSpace.C
    extern void compute_b_moduli(double *bm, int K, int order);
    compute_b_moduli(bm1, pmeGrid.K1, pmeGrid.order);
    compute_b_moduli(bm2, pmeGrid.K2, pmeGrid.order);
    compute_b_moduli(bm3, pmeGrid.K3, pmeGrid.order);

    int i0, i1, j1, k1;
    getPencilDim(pmeGrid, permutation, jblock, kblock, i0, i1, j0, j1, k0, k1);
    size1 = i1-i0+1;
    size2 = j1-j0+1;
    size3 = k1-k0+1;
  }

~PmeKSpaceCompute()

virtual PmeKSpaceCompute::~PmeKSpaceCompute ( )

inlinevirtual

Definition at line 301 of file PmeSolverUtil.h.

References bm1, bm2, and bm3.

                              {
    delete [] bm1;
    delete [] bm2;
    delete [] bm3;
  }

Member Function Documentation

getEnergy()

virtual double PmeKSpaceCompute::getEnergy ( )

pure virtual

Implemented in CudaPmeKSpaceCompute.

getVirial()

virtual void PmeKSpaceCompute::getVirial ( double *  virial )

pure virtual

Implemented in CudaPmeKSpaceCompute.

setGrid()

virtual void PmeKSpaceCompute::setGrid ( unsigned int  iGrid )

inlinevirtual

Definition at line 309 of file PmeSolverUtil.h.

References multipleGridIndex.

                                           {
    multipleGridIndex = iGrid;
  }

solve()

virtual void PmeKSpaceCompute::solve ( Lattice &  lattice, const bool  doEnergy, const bool  doVirial, float *  data  )

pure virtual

Implemented in CudaPmeKSpaceCompute.

Member Data Documentation

bm1

double* PmeKSpaceCompute::bm1

protected

Definition at line 272 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), PmeKSpaceCompute(), CudaPmeKSpaceCompute::solve(), and ~PmeKSpaceCompute().

bm2

double * PmeKSpaceCompute::bm2

protected

Definition at line 272 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), PmeKSpaceCompute(), CudaPmeKSpaceCompute::solve(), and ~PmeKSpaceCompute().

bm3

double * PmeKSpaceCompute::bm3

protected

Definition at line 272 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), PmeKSpaceCompute(), CudaPmeKSpaceCompute::solve(), and ~PmeKSpaceCompute().

j0

int PmeKSpaceCompute::j0

protected

Definition at line 277 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

jblock

const int PmeKSpaceCompute::jblock

protected

Definition at line 275 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute().

k0

int PmeKSpaceCompute::k0

protected

Definition at line 277 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

kappa

double PmeKSpaceCompute::kappa

protected

Definition at line 273 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::solve().

kblock

const int PmeKSpaceCompute::kblock

protected

Definition at line 275 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute().

multipleGridIndex

unsigned int PmeKSpaceCompute::multipleGridIndex

protected

Definition at line 279 of file PmeSolverUtil.h.

Referenced by setGrid().

permutation

const int PmeKSpaceCompute::permutation

protected

Definition at line 274 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::getVirial(), PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

pmeGrid

PmeGrid PmeKSpaceCompute::pmeGrid

protected

Definition at line 270 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

size1

int PmeKSpaceCompute::size1

protected

Definition at line 276 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

size2

int PmeKSpaceCompute::size2

protected

Definition at line 276 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

size3

int PmeKSpaceCompute::size3

protected

Definition at line 276 of file PmeSolverUtil.h.

Referenced by PmeKSpaceCompute(), and CudaPmeKSpaceCompute::solve().

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

• PmeSolverUtil.h