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NAMD
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Macros | |
| #define | ASSERT(expr) |
| #define | MIN_DEBUG_LEVEL 0 |
| #define | MAX_DEBUG_LEVEL 10 |
| #define | STDERR_LEVEL 5 |
| #define | Debug(x) ; |
| #define | DebugM(x, y) ; |
| #define | D_MSG(t) |
| #define | D_STR(t) |
| #define | D_INT(t) |
| #define | D_REAL(t) |
| #define | D_REXP(t) |
| #define | D_VEC(t) |
| #define ASSERT | ( | expr | ) |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 23 of file Debug.h.
Referenced by ALambdaControl::Accumulate(), ALambdaManager::Accumulate(), anterpolation(), AVector::AVector(), ARestraint::DistributeForce(), ComputeMsm::doWork(), GridMsg::get(), ALambdaManager::GetAccumulation(), ALambdaControl::GetAccumulation(), ADistRestraint::GetGrad(), AnAngleRestraint::GetGrad(), ADiheRestraint::GetGrad(), ALambdaControl::GetIntegration(), ALambdaManager::GetIntegration(), ALambdaManager::GetLambdas(), ALambdaManager::GetNum_dU_dLambda(), ALambdaManager::GetNumAccumStepsSoFar(), ALambdaControl::GetNumAccumStepsSoFar(), ALambdaManager::GetNumStepsSoFar(), GetRestraint(), GetTime(), gridcutoff(), ALambdaControl::Init(), ComputeMsmMgr::initialize(), ComputeMsmMgr::initialize_create(), ALambdaControl::Integrate_MCTI(), ALambdaManager::Integrate_MCTI(), interpolation(), ALambdaManager::IsEndOf_MCTI(), ALambdaManager::IsEndOf_MCTI_Step(), ALambdaManager::IsFirstStep(), ALambdaManager::IsTimeToClearAccumulator(), ALambdaControl::IsTimeToClearAccumulator(), ALambdaManager::IsTimeToPrint(), ALambdaManager::IsTimeToPrint_dU_dLambda(), ALambdaManager::operator[](), AGroup::operator[](), ARestraintManager::operator[](), AVector::operator[](), HomePatch::positionsReady_SOA(), ALambdaManager::PrintHeader(), ALambdaManager::PrintLambdaHeader(), AVector::Random(), ReadPmfBlock(), ComputeMsm::saveResults(), MsmBlock::sendDownPotential(), MsmC1HermiteBlock::sendDownPotential(), MsmBlock::sendPatch(), MsmC1HermiteBlock::sendPatch(), MsmBlock::sendUpCharge(), MsmC1HermiteBlock::sendUpCharge(), ARestraint::SetBound(), ARestraint::SetGroup(), ARestraint::SetGroups(), ARestraint::SetIntervalAngle(), ARestraint::SetLowerAngle(), ARestraint::SetRefAngle(), ARestraint::SetRefDist(), ARestraint::SetRefPos(), ARestraint::SetStartAngle(), ARestraint::SetStartDist(), ARestraint::SetStartPos(), ARestraint::SetStopAngle(), ARestraint::SetStopDist(), ARestraint::SetStopPos(), setup_bin_data(), setup_grids(), setup_hgrid_1d(), ComputeMsmMgr::setup_hgrid_1d(), ARestraint::SetUpperAngle(), ARestraint::UpdateCOMs(), ALambdaManager::ZeroAccumulator(), and ARestraint::~ARestraint().
| #define D_MSG | ( | t | ) |
Definition at line 165 of file Debug.h.
Referenced by Sequencer::integrate().
| #define DebugM | ( | x, | |
| y | |||
| ) | ; |
Definition at line 75 of file Debug.h.
Referenced by GlobalMasterServer::addClient(), GlobalMasterFreeEnergy::addForce(), GridforceFullSubGrid::addToSubgridsFlat(), Molecule::atoms_1to4(), BroadcastClient::awaken(), ProxyPatch::boxClosed(), HomePatch::boxClosed(), Molecule::build_go_arrays(), Molecule::build_go_sigmas(), Molecule::build_go_sigmas2(), Molecule::build_gridforce_params(), GridforceFullMainGrid::buildSubgridsFlat(), ComputeQMMgr::calcMOPAC(), ComputeQMMgr::calcORCA(), GlobalMasterTest::calculate(), GlobalMasterTcl::calculate(), GlobalMasterIMD::calculate(), ComputeQMMgr::calcUSR(), PatchMap::checkMap(), ComputeMap::checkMap(), checkSum(), CollectionMaster::CollectionMaster(), CollectionMgr::CollectionMgr(), GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), GridforceLiteGrid::compute_derivative_grids(), GridforceFullBaseGrid::compute_VdV(), GridforceLiteGrid::compute_wts(), ComputeEwald::ComputeEwald(), AngleElem::computeForce(), ImproperElem::computeForce(), CrosstermElem::computeForce(), DihedralElem::computeForce(), AnisoElem::computeForce(), TholeElem::computeForce(), BondElem::computeForce(), GromacsPairElem::computeForce(), ComputeGlobal::ComputeGlobal(), ComputePme::ComputePme(), ComputePmeCUDADevice::ComputePmeCUDADevice(), NamdState::configListInit(), ComputeMgr::createComputes(), WorkDistrib::createHomePatches(), ProxyMgr::createProxy(), Molecule::delete_qm_bonded(), HomePatch::depositMigration(), CollectionMaster::disposeForces(), CollectionMaster::disposePositions(), CollectionMaster::disposeVelocities(), MigrateAtomsCombinedMsg::distribute(), WorkDistrib::distributeHomePatches(), ComputeGridForce::do_calc(), HomePatch::doAtomMigration(), ComputeConsForce::doForce(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputeGridForce::doForce(), ComputeMgr::doneUpdateLocalComputes(), PatchMap::downstreamNeighbors(), ComputeFullDirect::doWork(), ComputePatch::doWork(), ComputeHomePatch::doWork(), ComputeGlobal::doWork(), ComputePme::doWork(), Compute::doWork(), ComputeQM::doWork(), ComputeMgr::enableComputeGlobalResults(), MOStream::end(), CollectionMaster::enqueuePositions(), CollectionMaster::enqueuePositionsDcdSelection(), Compute::enqueueWork(), PmeAtomFiler::fileAtoms(), Compute::finishPatch(), GridforceGrid::fits_lattice(), Patch::forceBoxClosed(), GridforceFullMainGrid::get_all_gridvals(), GridforceLiteGrid::get_all_gridvals(), GridforceGrid::get_corner(), Molecule::get_go_force_new(), PatchMap::getPatchesInOctet(), GlobalMasterEasy::GlobalMasterEasy(), GlobalMasterFreeEnergy::GlobalMasterFreeEnergy(), GlobalMasterIMD::GlobalMasterIMD(), GlobalMasterServer::GlobalMasterServer(), GlobalMasterSMD::GlobalMasterSMD(), GlobalMasterSymmetry::GlobalMasterSymmetry(), GlobalMasterTcl::GlobalMasterTcl(), GlobalMasterTMD::GlobalMasterTMD(), GridforceFullSubGrid::GridforceFullSubGrid(), ComputePatch::initialize(), ComputeHomePatch::initialize(), ComputePatchPair::initialize(), ComputeLCPO::initialize(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), GridforceLiteGrid::initialize(), ComputePmeCUDADevice::initialize(), ComputePmeCUDAMgr::initialize(), ComputePmeCUDAMgr::initialize_pencils(), Sequencer::integrate(), Sequencer::integrate_SOA(), GridforceLiteGrid::linear_interpolate(), NamdState::loadStructure(), HomePatch::loweAndersenFinish(), HomePatch::loweAndersenVelocities(), WorkDistrib::mapComputes(), GlobalMaster::modifyRequestedAtoms(), GlobalMaster::modifyRequestedGridObjects(), GlobalMaster::modifyRequestedGroups(), Node::Node(), PatchMap::oneAwayNeighbors(), PatchMap::oneOrTwoAwayNeighbors(), GridforceFullBaseGrid::pack(), PatchMap::pack(), ComputeMap::pack(), GridforceFullMainGrid::pack(), GridforceFullSubGrid::pack(), LdbCoordinator::patchLoad(), WorkDistrib::patchMapInit(), Compute::patchReady(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), Molecule::prepare_qm(), Parameters::print_angle_params(), Molecule::print_atoms(), Parameters::print_bond_params(), Molecule::print_bonds(), Parameters::print_dihedral_params(), Molecule::print_exclusions(), Molecule::print_go_params(), Molecule::print_go_sigmas(), Parameters::print_improper_params(), Parameters::print_nbthole_pair_params(), Parameters::print_vdw_pair_params(), Parameters::print_vdw_params(), ComputeMap::printComputeMap(), ComputeQM::processFullQM(), ComputeQMMgr::procQMRes(), ProxyPatch::ProxyPatch(), Molecule::read_go_file(), GridforceFullBaseGrid::readHeader(), GridforceFullBaseGrid::readSubgridHierarchy(), LdbCoordinator::rebalance(), Molecule::receive_Molecule(), ProxyPatch::receiveAll(), ProxyPatch::receiveData(), CollectionMaster::receivePositions(), CollectionMaster::receivePositionsDcdSelection(), HomePatch::receiveResults(), ComputePmeCUDAMgr::recvAtoms(), ComputeMgr::recvComputeGlobalData(), ComputeMgr::recvComputeGlobalResults(), ComputeMgr::recvCudaGlobalMasterCreateMsg(), GlobalMasterServer::recvData(), ComputePmeCUDAMgr::recvDevices(), PatchMgr::recvMigrateAtomsCombined(), ComputeQMMgr::recvPartQM(), ComputeQMMgr::recvPntChrg(), ComputeGlobal::recvResults(), ReductionMgr::ReductionMgr(), Patch::registerDEdaSumDeposit(), Patch::registerForceDeposit(), Patch::registerPositionPickup(), HomePatch::registerProxy(), Patch::registerPsiSumDeposit(), GridforceFullMainGrid::reinitialize(), Node::reloadGridforceGrid(), LdbCoordinator::resume(), LdbCoordinator::resume2(), LdbCoordinator::resumeReady(), Sequencer::run(), Node::run(), Controller::run(), ComputeQM::saveResults(), ScriptTcl::ScriptTcl(), Molecule::send_Molecule(), ComputeMgr::sendComputeGlobalData(), ComputeMgr::sendComputeGlobalResults(), PatchMgr::sendMigrationMsgs(), GridforceFullMainGrid::set_all_gridvals(), GridforceLiteGrid::set_all_gridvals(), ComputePmeCUDAMgr::setupPencils(), ComputePmeCUDAMgr::skip(), Node::startup(), NamdState::status(), Sequencer::stochRescaleVelocities(), Sequencer::stochRescaleVelocities_SOA(), ComputeQMMgr::storeQMRes(), CollectionMgr::submitPositions(), BroadcastClient::suspendFor(), GridforceFullBaseGrid::unpack(), PatchMap::unpack(), ComputeMap::unpack(), GridforceFullMainGrid::unpack(), GridforceFullSubGrid::unpack(), Patch::unregisterAvgPositionPickup(), Patch::unregisterForceDeposit(), PatchMap::unregisterPatch(), Patch::unregisterPositionPickup(), Patch::unregisterVelocityPickup(), LdbCoordinator::updateComputesReady(), Node::updateGridScale(), PatchMap::upstreamNeighbors(), Patch::velocityBoxClosed(), ComputeHomePatch::~ComputeHomePatch(), ComputeLCPO::~ComputeLCPO(), ComputePatch::~ComputePatch(), ComputePatchPair::~ComputePatchPair(), GlobalMasterFreeEnergy::~GlobalMasterFreeEnergy(), GlobalMasterTcl::~GlobalMasterTcl(), ProxyPatch::~ProxyPatch(), and ScriptTcl::~ScriptTcl().
1.8.14