PmeKSpaceCompute Class Reference

#include <PmeSolverUtil.h>

Inheritance diagram for PmeKSpaceCompute:

List of all members.

Public Member Functions
	PmeKSpaceCompute (PmeGrid pmeGrid, const int permutation, const int jblock, const int kblock, double kappa)
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
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

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Detailed Description

Definition at line 265 of file PmeSolverUtil.h.

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Constructor & Destructor Documentation

PmeKSpaceCompute::PmeKSpaceCompute	(	PmeGrid	pmeGrid,
		const int	permutation,
		const int	jblock,
		const int	kblock,
		double	kappa
	)			[inline]

Definition at line 276 of file PmeSolverUtil.h.

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

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

    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;
  }

virtual PmeKSpaceCompute::~PmeKSpaceCompute

(

)

[inline, virtual]

Definition at line 296 of file PmeSolverUtil.h.

References bm1, bm2, and bm3.

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

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Member Function Documentation

virtual double PmeKSpaceCompute::getEnergy

(

)

[pure virtual]

Implemented in CudaPmeKSpaceCompute.

Referenced by PmePencilZ::submitReductions(), and PmePencilXYZ::submitReductions().

virtual void PmeKSpaceCompute::getVirial

(

double *

virial

)

[pure virtual]

Implemented in CudaPmeKSpaceCompute.

Referenced by PmePencilZ::submitReductions(), and PmePencilXYZ::submitReductions().

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

Implemented in CudaPmeKSpaceCompute.

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Member Data Documentation

double* PmeKSpaceCompute::bm1 [protected]

Definition at line 269 of file PmeSolverUtil.h.

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

double * PmeKSpaceCompute::bm2 [protected]

Definition at line 269 of file PmeSolverUtil.h.

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

double * PmeKSpaceCompute::bm3 [protected]

Definition at line 269 of file PmeSolverUtil.h.

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

int PmeKSpaceCompute::j0 [protected]

Definition at line 274 of file PmeSolverUtil.h.

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

const int PmeKSpaceCompute::jblock [protected]

Definition at line 272 of file PmeSolverUtil.h.

int PmeKSpaceCompute::k0 [protected]

Definition at line 274 of file PmeSolverUtil.h.

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

double PmeKSpaceCompute::kappa [protected]

Definition at line 270 of file PmeSolverUtil.h.

Referenced by CudaPmeKSpaceCompute::solve().

const int PmeKSpaceCompute::kblock [protected]

Definition at line 272 of file PmeSolverUtil.h.

const int PmeKSpaceCompute::permutation [protected]

Definition at line 271 of file PmeSolverUtil.h.

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

PmeGrid PmeKSpaceCompute::pmeGrid [protected]

Definition at line 267 of file PmeSolverUtil.h.

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

int PmeKSpaceCompute::size1 [protected]

Definition at line 273 of file PmeSolverUtil.h.

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

int PmeKSpaceCompute::size2 [protected]

Definition at line 273 of file PmeSolverUtil.h.

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

int PmeKSpaceCompute::size3 [protected]

Definition at line 273 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

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