NAMD
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#include <PmeSolver.h>
Public Member Functions | |
PmePencilXYZ_SDAG_CODE | PmePencilXYZ () |
PmePencilXYZ (CkMigrateMessage *m) | |
virtual | ~PmePencilXYZ () |
void | skip () |
Protected Member Functions | |
virtual void | backwardDone () |
void | submitReductions () |
Protected Attributes | |
PmeGrid | pmeGrid |
bool | doEnergy |
bool | doVirial |
FFTCompute * | fftCompute |
PmeKSpaceCompute * | pmeKSpaceCompute |
Lattice | lattice |
int | numStrayAtoms |
Definition at line 131 of file PmeSolver.h.
PmePencilXYZ::PmePencilXYZ | ( | ) |
Definition at line 20 of file PmeSolver.C.
References doEnergy, doVirial, fftCompute, ReductionMgr::Object(), pmeKSpaceCompute, REDUCTIONS_BASIC, and ReductionMgr::willSubmit().
PmePencilXYZ::PmePencilXYZ | ( | CkMigrateMessage * | m | ) |
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Definition at line 73 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 140 of file PmeSolver.h.
Referenced by PmePencilXYZ().
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Definition at line 140 of file PmeSolver.h.
Referenced by PmePencilXYZ().
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Definition at line 141 of file PmeSolver.h.
Referenced by PmePencilXYZ(), and ~PmePencilXYZ().
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Definition at line 143 of file PmeSolver.h.
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Definition at line 144 of file PmeSolver.h.
Referenced by submitReductions().
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Definition at line 139 of file PmeSolver.h.
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Definition at line 142 of file PmeSolver.h.
Referenced by PmePencilXYZ(), submitReductions(), and ~PmePencilXYZ().