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NAMD
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#include <PmeBase.h>
Public Attributes | |
| int | K1 |
| int | K2 |
| int | K3 |
| int | dim2 |
| int | dim3 |
| int | order |
| int | block1 |
| int | block2 |
| int | block3 |
| int | xBlocks |
| int | yBlocks |
| int | zBlocks |
| int PmeGrid::block1 |
Definition at line 21 of file PmeBase.h.
Referenced by ComputePmeMgr::copyPencils(), PmeZPencil::fft_init(), PmeYPencil::fft_init(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_pencils(), PmeXPencil::recv_trans(), PmeXPencil::send_subset_untrans(), PmeXPencil::send_untrans(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::block2 |
Definition at line 21 of file PmeBase.h.
Referenced by ComputePmeMgr::copyPencils(), PmeZPencil::fft_init(), PmeXPencil::fft_init(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_pencils(), PmeYPencil::recv_trans(), PmeYPencil::recv_untrans(), PmeYPencil::send_subset_trans(), PmeYPencil::send_subset_untrans(), PmeYPencil::send_trans(), PmeYPencil::send_untrans(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::block3 |
Definition at line 21 of file PmeBase.h.
Referenced by PmeYPencil::fft_init(), PmeXPencil::fft_init(), ComputePmeMgr::initialize(), PmeZPencil::recv_untrans(), PmeZPencil::send_subset_trans(), PmeZPencil::send_trans(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::dim2 |
Definition at line 19 of file PmeBase.h.
Referenced by PmeRealSpace::compute_forces_order4_partial(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), PmeYPencil::fft_init(), PmeYPencil::forward_fft(), ComputePmeMgr::gridCalc1(), ComputePmeMgr::gridCalc3(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::dim3 |
Definition at line 19 of file PmeBase.h.
Referenced by PmeZPencil::backward_fft(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::copyResults(), PmeZPencil::fft_init(), PmeYPencil::fft_init(), PmeXPencil::fft_init(), PmeZPencil::forward_fft(), ComputePmeMgr::gridCalc1(), ComputePmeMgr::gridCalc2(), ComputePmeMgr::gridCalc2R(), ComputePmeMgr::gridCalc3(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), PmeZPencil::node_process_untrans(), ComputePmeMgr::procTrans(), ComputePmeMgr::procUntrans(), PmeZPencil::recv_grid(), PmeZPencil::recv_untrans(), ComputePmeMgr::recvGrid(), PmeZPencil::send_subset_trans(), PmeZPencil::send_trans(), PmeZPencil::send_ungrid(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencilsPart(), ComputePmeMgr::sendTransSubset(), ComputePmeMgr::sendUngridSubset(), ComputePmeMgr::sendUntransSubset(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::K1 |
Definition at line 18 of file PmeBase.h.
Referenced by PmeZPencil::backward_fft(), PmeXPencil::backward_fft(), PmeKSpace::compute_energy(), PmeKSpace::compute_energy_orthogonal_helper(), PmeKSpace::compute_energy_orthogonal_subset(), PmeRealSpace::compute_forces_order4_partial(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::cuda_submit_charges(), CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), ComputePme::doWork(), PmeZPencil::fft_init(), PmeYPencil::fft_init(), PmeXPencil::fft_init(), PmeAtomFiler::fileAtoms(), PmeXPencil::forward_fft(), CudaPmeRealSpaceCompute::gatherForce(), getPencilDim(), FFTCompute::init(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), ComputePmeMgr::initialize_pencils(), PmeKSpace::PmeKSpace(), PmeKSpaceCompute::PmeKSpaceCompute(), PmeXPencil::recv_trans(), scale_coordinates(), PmeXPencil::send_subset_untrans(), PmeXPencil::send_untrans(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), CudaPmeTranspose::setDataPtrsYZX(), CudaPmeTranspose::setDataPtrsZXY(), ComputePmeCUDAMgr::setupPencils(), CudaPmeKSpaceCompute::solve(), CudaPmeRealSpaceCompute::spreadCharge(), and ComputePmeMgr::ungridCalc().
| int PmeGrid::K2 |
Definition at line 18 of file PmeBase.h.
Referenced by PmeZPencil::backward_fft(), PmeYPencil::backward_fft(), PmeYPencil::backward_subset_fft(), PmeKSpace::compute_energy(), PmeKSpace::compute_energy_orthogonal_helper(), PmeKSpace::compute_energy_orthogonal_subset(), PmeRealSpace::compute_forces_order4_partial(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::cuda_submit_charges(), CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), ComputePme::doWork(), PmeZPencil::fft_init(), PmeYPencil::fft_init(), PmeXPencil::fft_init(), PmeAtomFiler::fileAtoms(), PmeYPencil::forward_fft(), PmeYPencil::forward_subset_fft(), CudaPmeRealSpaceCompute::gatherForce(), ComputePmeCUDAMgr::getHomePencil(), getPencilDim(), getPencilIndexY(), FFTCompute::init(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), ComputePmeMgr::initialize_pencils(), PmeKSpace::PmeKSpace(), PmeKSpaceCompute::PmeKSpaceCompute(), ComputePmeMgr::procUntrans(), PmeYPencil::recv_trans(), PmeYPencil::recv_untrans(), scale_coordinates(), PmeYPencil::send_subset_trans(), PmeYPencil::send_subset_untrans(), PmeYPencil::send_trans(), PmeYPencil::send_untrans(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), ComputePmeMgr::sendTransSubset(), ComputePmeMgr::sendUntransSubset(), CudaPmeTranspose::setDataPtrsYZX(), CudaPmeTranspose::setDataPtrsZXY(), ComputePmeCUDAMgr::setupPencils(), CudaPmeKSpaceCompute::solve(), CudaPmeRealSpaceCompute::spreadCharge(), and ComputePmeMgr::ungridCalc().
| int PmeGrid::K3 |
Definition at line 18 of file PmeBase.h.
Referenced by PmeZPencil::backward_fft(), ComputePmeMgr::chargeGridReady(), PmeKSpace::compute_energy(), PmeKSpace::compute_energy_orthogonal_helper(), PmeKSpace::compute_energy_orthogonal_subset(), PmeRealSpace::compute_forces_order4_partial(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::copyResults(), ComputePmeMgr::cuda_submit_charges(), CudaPmeKSpaceCompute::CudaPmeKSpaceCompute(), ComputePme::doWork(), PmeZPencil::fft_init(), PmeAtomFiler::fileAtoms(), PmeZPencil::forward_fft(), CudaPmeRealSpaceCompute::gatherForce(), ComputePmeCUDAMgr::getHomePencil(), getPencilDim(), getPencilIndexZ(), FFTCompute::init(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), PmeKSpace::PmeKSpace(), PmeKSpaceCompute::PmeKSpaceCompute(), scale_coordinates(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencilsPart(), CudaPmeTranspose::setDataPtrsYZX(), CudaPmeTranspose::setDataPtrsZXY(), ComputePmeCUDAMgr::setupPencils(), CudaPmeKSpaceCompute::solve(), CudaPmeRealSpaceCompute::spreadCharge(), and ComputePmeMgr::ungridCalc().
| int PmeGrid::order |
Definition at line 20 of file PmeBase.h.
Referenced by ComputePmeMgr::chargeGridReady(), PmeRealSpace::compute_forces(), ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::copyResults(), ComputePmeMgr::cuda_submit_charges(), ComputePme::doWork(), PmeAtomFiler::fileAtoms(), PmeRealSpace::fill_charges(), CudaPmeRealSpaceCompute::gatherForce(), ComputePmeCUDAMgr::getHomePencil(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), ComputePmeMgr::initialize_pencils(), PmeKSpace::PmeKSpace(), PmeKSpaceCompute::PmeKSpaceCompute(), scale_coordinates(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencilsPart(), PmeRealSpace::set_num_atoms(), ComputePmeCUDAMgr::setupPencils(), CudaPmeRealSpaceCompute::spreadCharge(), and ComputePmeMgr::ungridCalc().
| int PmeGrid::xBlocks |
Definition at line 22 of file PmeBase.h.
Referenced by getBlockDim(), ComputePmeCUDAMgr::getDevicePencilY(), ComputePmeCUDAMgr::getDevicePencilZ(), getPencilDim(), FFTCompute::init(), PmePencilXY::initBlockSizes(), PmePencilX::initBlockSizes(), ComputePmeCUDAMgr::initialize(), PmeTranspose::PmeTranspose(), and ComputePmeCUDAMgr::setupPencils().
| int PmeGrid::yBlocks |
Definition at line 22 of file PmeBase.h.
Referenced by PmeAtomFiler::fileAtoms(), CudaPmeRealSpaceCompute::gatherForce(), getBlockDim(), ComputePmeCUDAMgr::getDevice(), ComputePmeCUDAMgr::getDevicePencilZ(), ComputePmeCUDAMgr::getHomePencil(), ComputePmeCUDAMgr::getNode(), getPencilDim(), getPencilIndexY(), FFTCompute::init(), PmePencilY::initBlockSizes(), ComputePmeCUDADevice::initialize(), ComputePmeCUDAMgr::initialize(), ComputePmeCUDADevice::initializePatches(), PmeTranspose::PmeTranspose(), ComputePmeCUDADevice::recvAtoms(), ComputePmeCUDADevice::recvAtomsFromNeighbor(), ComputePmeCUDADevice::recvForcesFromNeighbor(), ComputePmeCUDADevice::sendAtomsToNeighbor(), ComputePmeCUDADevice::sendForcesToNeighbors(), ComputePmeCUDAMgr::setupPencils(), and CudaPmeRealSpaceCompute::spreadCharge().
| int PmeGrid::zBlocks |
Definition at line 22 of file PmeBase.h.
Referenced by PmeAtomFiler::fileAtoms(), CudaPmeRealSpaceCompute::gatherForce(), getBlockDim(), ComputePmeCUDAMgr::getDevice(), ComputePmeCUDAMgr::getDevicePencilY(), ComputePmeCUDAMgr::getHomePencil(), ComputePmeCUDAMgr::getNode(), getPencilDim(), getPencilIndexZ(), FFTCompute::init(), PmePencilZ::initBlockSizes(), ComputePmeCUDADevice::initialize(), ComputePmeCUDAMgr::initialize(), ComputePmeCUDADevice::initializePatches(), PmeTranspose::PmeTranspose(), ComputePmeCUDADevice::recvAtoms(), ComputePmeCUDADevice::recvAtomsFromNeighbor(), ComputePmeCUDADevice::recvForcesFromNeighbor(), ComputePmeCUDADevice::sendAtomsToNeighbor(), ComputePmeCUDADevice::sendForcesToNeighbors(), ComputePmeCUDAMgr::setupPencils(), and CudaPmeRealSpaceCompute::spreadCharge().
1.8.5