NAMD
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#include <PmeSolver.h>
Public Member Functions | |
PmePencilZ_SDAG_CODE | PmePencilZ () |
PmePencilZ (CkMigrateMessage *m) | |
virtual | ~PmePencilZ () |
void | skip () |
Protected Member Functions | |
void | initBlockSizes () |
void | submitReductions () |
Protected Attributes | |
PmeGrid | pmeGrid |
bool | doEnergy |
bool | doVirial |
FFTCompute * | fftCompute |
PmeTranspose * | pmeTranspose |
PmeKSpaceCompute * | pmeKSpaceCompute |
std::vector< int > | blockSizes |
Lattice | lattice |
int | numStrayAtoms |
int | imsg |
Definition at line 239 of file PmeSolver.h.
PmePencilZ::PmePencilZ | ( | ) |
Definition at line 368 of file PmeSolver.C.
References doEnergy, doVirial, fftCompute, numStrayAtoms, ReductionMgr::Object(), pmeKSpaceCompute, pmeTranspose, REDUCTIONS_BASIC, and ReductionMgr::willSubmit().
PmePencilZ::PmePencilZ | ( | CkMigrateMessage * | m | ) |
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Definition at line 388 of file PmeSolver.C.
References fftCompute, pmeKSpaceCompute, and pmeTranspose.
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Definition at line 413 of file PmeSolver.C.
References blockSizes, getBlockDim(), Perm_Z_cX_Y, pmeGrid, z, and PmeGrid::zBlocks.
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Definition at line 430 of file PmeSolver.C.
References PmeKSpaceCompute::getEnergy(), PmeKSpaceCompute::getVirial(), SubmitReduction::item(), NAMD_bug(), numStrayAtoms, pmeKSpaceCompute, REDUCTION_ELECT_ENERGY_SLOW, REDUCTION_STRAY_CHARGE_ERRORS, and SubmitReduction::submit().
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Definition at line 252 of file PmeSolver.h.
Referenced by initBlockSizes().
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Definition at line 248 of file PmeSolver.h.
Referenced by PmePencilZ().
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Definition at line 248 of file PmeSolver.h.
Referenced by PmePencilZ().
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Definition at line 249 of file PmeSolver.h.
Referenced by PmePencilZ(), and ~PmePencilZ().
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Definition at line 257 of file PmeSolver.h.
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Definition at line 253 of file PmeSolver.h.
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Definition at line 254 of file PmeSolver.h.
Referenced by PmePencilZ(), and submitReductions().
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Definition at line 247 of file PmeSolver.h.
Referenced by initBlockSizes().
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Definition at line 251 of file PmeSolver.h.
Referenced by PmePencilZ(), submitReductions(), and ~PmePencilZ().
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Definition at line 250 of file PmeSolver.h.
Referenced by PmePencilZ(), and ~PmePencilZ().