PmePencilXY Class Reference

#include <PmeSolver.h>

Inheritance diagram for PmePencilXY:

Public Member Functions
PmePencilXY_SDAG_CODE	PmePencilXY ()
	PmePencilXY (CkMigrateMessage *m)
virtual	~PmePencilXY ()

Protected Member Functions
void	initBlockSizes ()

Protected Attributes
PmeGrid	pmeGrid
bool	doEnergy
bool	doVirial
int	simulationStep
std::array< FFTCompute *, NUM_GRID_MAX >	fftComputes
std::array< PmeTranspose *, NUM_GRID_MAX >	pmeTransposes
std::vector< int >	blockSizes
Lattice	lattice
int	numStrayAtoms
int	imsg

Detailed Description

Definition at line 172 of file PmeSolver.h.

Constructor & Destructor Documentation

PmePencilXY() [1/2]

PmePencilXY::PmePencilXY

(

)

Definition at line 303 of file PmeSolver.C.

References fftComputes, NUM_GRID_MAX, and pmeTransposes.

                         {
  __sdag_init();
  setMigratable(false);
  for (unsigned int iGrid = 0; iGrid < NUM_GRID_MAX; ++iGrid) {
    pmeTransposes[iGrid] = NULL;
    fftComputes[iGrid] = NULL;
  }
}

PmePencilXY() [2/2]

PmePencilXY::PmePencilXY

(

CkMigrateMessage *

m

)

Definition at line 312 of file PmeSolver.C.

References NAMD_bug().

                                            {
  NAMD_bug("PmePencilXY cannot be migrated");
//__sdag_init();
  // setMigratable(false);
  // fftCompute = NULL;
  // pmeTranspose = NULL;
}

~PmePencilXY()

PmePencilXY::~PmePencilXY ( )

virtual

Definition at line 320 of file PmeSolver.C.

References fftComputes, NUM_GRID_MAX, and pmeTransposes.

                          {
//   if (fftCompute != NULL) delete fftCompute;
//   if (pmeTranspose != NULL) delete pmeTranspose;
//   if (fftCompute2 != NULL) delete fftCompute2;
//   if (pmeTranspose2 != NULL) delete pmeTranspose2;
  for (unsigned int iGrid = 0; iGrid < NUM_GRID_MAX; ++iGrid) {
    if (pmeTransposes[iGrid] != NULL) delete pmeTransposes[iGrid];
    if (fftComputes[iGrid] != NULL) delete fftComputes[iGrid];
  }
}

Member Function Documentation

initBlockSizes()

void PmePencilXY::initBlockSizes ( )

protected

Definition at line 359 of file PmeSolver.C.

References blockSizes, getBlockDim(), Perm_cX_Y_Z, pmeGrid, and PmeGrid::xBlocks.

                                 {
  blockSizes.resize(pmeGrid.xBlocks);
  for (int x=0;x < pmeGrid.xBlocks;x++) {
    int i0, i1, j0, j1, k0, k1;
    getBlockDim(pmeGrid, Perm_cX_Y_Z, x, 0, thisIndex.z,
      i0, i1, j0, j1, k0, k1);
    int size = (i1-i0+1)*(j1-j0+1)*(k1-k0+1);
    blockSizes[x] = size;
  }
}

Member Data Documentation

blockSizes

std::vector<int> PmePencilXY::blockSizes

protected

Definition at line 184 of file PmeSolver.h.

Referenced by initBlockSizes().

doEnergy

bool PmePencilXY::doEnergy

protected

Definition at line 180 of file PmeSolver.h.

doVirial

bool PmePencilXY::doVirial

protected

Definition at line 180 of file PmeSolver.h.

fftComputes

std::array<FFTCompute*, NUM_GRID_MAX> PmePencilXY::fftComputes

protected

Definition at line 182 of file PmeSolver.h.

Referenced by PmePencilXY(), and ~PmePencilXY().

imsg

int PmePencilXY::imsg

protected

Definition at line 188 of file PmeSolver.h.

lattice

Lattice PmePencilXY::lattice

protected

Definition at line 185 of file PmeSolver.h.

numStrayAtoms

int PmePencilXY::numStrayAtoms

protected

Definition at line 186 of file PmeSolver.h.

pmeGrid

PmeGrid PmePencilXY::pmeGrid

protected

Definition at line 179 of file PmeSolver.h.

Referenced by initBlockSizes().

pmeTransposes

std::array<PmeTranspose*, NUM_GRID_MAX> PmePencilXY::pmeTransposes

protected

Definition at line 183 of file PmeSolver.h.

Referenced by PmePencilXY(), and ~PmePencilXY().

simulationStep

int PmePencilXY::simulationStep

protected

Definition at line 181 of file PmeSolver.h.

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

• PmeSolver.h
• PmeSolver.C