OpenMD  2.5
Molecular Dynamics in the Open
errorStruct Struct Reference

#include <simError.h>

Public Attributes

char errMsg [MAX_SIM_ERROR_MSG_LENGTH]
 
int isFatal
 
int severity
 
int isEventLoop
 

Detailed Description

Definition at line 10 of file simError.h.

Member Data Documentation

◆ errMsg

char errorStruct::errMsg[MAX_SIM_ERROR_MSG_LENGTH]

Definition at line 11 of file simError.h.

Referenced by OpenMD::RigidBody::addAtom(), OpenMD::SHAPES::addShape(), OpenMD::LJ::addType(), OpenMD::FluctuatingChargeForces::addType(), OpenMD::GB::addType(), OpenMD::Sticky::addType(), OpenMD::SC::addType(), OpenMD::EAM::addType(), OpenMD::Electrostatic::addType(), OpenMD::DataHolder::assign(), OpenMD::EAM::calcForce(), OpenMD::AnalyticalModel::calcHydroProps(), OpenMD::MoLocator::calcRef(), OpenMD::RigidBody::calcRefCoords(), OpenMD::GofRAngle2::collectHistogram(), OpenMD::GofAngle2::collectHistogram(), OpenMD::BondOrderParameter::collectHistogram(), OpenMD::SelectionCompiler::compileError(), OpenMD::ConvexHull::computeHull(), OpenMD::AlphaHull::computeHull(), OpenMD::ConstraintElem::ConstraintElem(), OpenMD::ConstraintWriter::ConstraintWriter(), ParameterTraits< std::pair< int, int > >::convert(), OpenMD::TimeCorrFunc::correlateBlocks(), OpenMD::HBondJump::correlation(), OpenMD::MultipassCorrFunc< Mat3x3d >::correlation(), OpenMD::MoleculeCreator::createAtom(), OpenMD::BeadModel::createBeads(), OpenMD::MoleculeCreator::createBend(), OpenMD::MoleculeCreator::createBond(), OpenMD::MoleculeCreator::createInversion(), createMdFile(), OpenMD::MoleculeCreator::createMolecule(), OpenMD::SimCreator::createSim(), OpenMD::BeadModel::createSingleBead(), OpenMD::MoleculeCreator::createTorsion(), OpenMD::DirectionalAtom::DirectionalAtom(), OpenMD::SimCreator::divideMolecules(), OpenMD::Shake::doConstraint(), OpenMD::Rattle::doConstraint(), OpenMD::MultipassCorrFunc< Mat3x3d >::doCorrelate(), OpenMD::ContactAngle1::doFrame(), OpenMD::RNEMD::doNIVS(), OpenMD::RestraintForceManager::doRestraints(), OpenMD::RNEMD::doSwap(), OpenMD::RNEMD::doVSS(), OpenMD::DumpReader::DumpReader(), OpenMD::DumpWriter::DumpWriter(), QuantLib::EndCriteria::EndCriteria(), OpenMD::SelectionEvaluator::evalError(), OpenMD::GofRTheta::evaluateAngle(), OpenMD::GofROmega::evaluateAngle(), OpenMD::SphericalHarmonic::Fact(), OpenMD::HullFinder::findHull(), OpenMD::ForceDecomposition::ForceDecomposition(), OpenMD::ElementsTable::GetAtomicNum(), OpenMD::RigidBody::getAtomPos(), OpenMD::RigidBody::getAtomRefCoor(), OpenMD::RigidBody::getAtomVel(), OpenMD::DirectionalAdapter::getDirectionalParam(), OpenMD::RNEMD::getDividingArea(), OpenMD::EAMAdapter::getEAMParam(), OpenMD::EAMAdapter::getF3minus(), OpenMD::EAMAdapter::getF3plus(), OpenMD::FixedChargeAdapter::getFixedChargeParam(), OpenMD::FluctuatingChargeAdapter::getFluctuatingChargeParam(), OpenMD::EAMAdapter::getFuncflParam(), OpenMD::EAMAdapter::getGamma(), OpenMD::SHAPES::getGayBerneCut(), OpenMD::GayBerneAdapter::getGayBerneParam(), OpenMD::CompositeShape::getHydroProp(), OpenMD::SimInfo::getIOIndexToIntegrableObject(), OpenMD::SHAPES::getLJParam(), OpenMD::LennardJonesAdapter::getLJParam(), OpenMD::MultipoleAdapter::getMultipoleParam(), OpenMD::EAMAdapter::getNu(), OpenMD::EAMAdapter::getOF(), OpenMD::EAMAdapter::getOrhoE(), OpenMD::EAMAdapter::getOrhoLimits(), OpenMD::EAM::getPhi(), OpenMD::PolarizableAdapter::getPolarizableParam(), OpenMD::EAMAdapter::getRhoh(), OpenMD::EAMAdapter::getRhol(), OpenMD::EAMAdapter::getRhos(), OpenMD::StickyAdapter::getStickyParam(), OpenMD::SelectionEvaluator::getSurfaceArea(), OpenMD::SuttonChenAdapter::getSuttonChenParam(), OpenMD::EAMAdapter::getZhouParam(), OpenMD::ApproximationModel::init(), OpenMD::ElementsTable::Init(), OpenMD::FluctuatingChargeNVE::initialize(), OpenMD::LJ::initialize(), OpenMD::RepulsivePower::initialize(), OpenMD::Morse::initialize(), OpenMD::InteractionManager::initialize(), OpenMD::Mie::initialize(), OpenMD::MAW::initialize(), OpenMD::Buckingham::initialize(), OpenMD::UniformField::initialize(), OpenMD::FluctuatingChargeNVT::initialize(), OpenMD::FluctuatingChargeLangevin::initialize(), OpenMD::Electrostatic::initialize(), OpenMD::EAM::initialize(), OpenMD::UniformGradient::initialize(), initSimError(), OpenMD::Integrator::Integrator(), OpenMD::ShapeBuilder::internalCreateShape(), OpenMD::LangevinHullForceManager::LangevinHullForceManager(), OpenMD::LDForceManager::LDForceManager(), OpenMD::LipidTransVisitor::LipidTransVisitor(), OpenMD::SimCreator::loadCoordinates(), OpenMD::SelectionEvaluator::loadScript(), main(), OpenMD::NameFinder::match(), OpenMD::MultipassCorrFunc< Mat3x3d >::MultipassCorrFunc(), OpenMD::NgammaT::NgammaT(), OpenMD::NitrileFrequencyMap::NitrileFrequencyMap(), OpenMD::NPrT::NPrT(), OpenMD::NPT::NPT(), OpenMD::NVT::NVT(), OpenMD::ForceField::openForceFieldFile(), QuantLib::operator<<(), OpenMD::ParallelRandNumGen::ParallelRandNumGen(), OpenMD::SectionParserManager::parse(), OpenMD::MultipoleAtomTypesSectionParser::parseDipole(), OpenMD::DumpReader::parseDumpLine(), OpenMD::RestReader::parseDumpLine(), OpenMD::EAMAtomTypesSectionParser::parseEAMArray(), OpenMD::SimCreator::parseFile(), OpenMD::EAMAtomTypesSectionParser::parseFuncflFile(), OpenMD::DirectionalAtomTypesSectionParser::parseLine(), OpenMD::GayBerneAtomTypesSectionParser::parseLine(), OpenMD::LennardJonesAtomTypesSectionParser::parseLine(), OpenMD::AtomTypesSectionParser::parseLine(), OpenMD::MultipoleAtomTypesSectionParser::parseLine(), OpenMD::PolarizableAtomTypesSectionParser::parseLine(), OpenMD::StickyAtomTypesSectionParser::parseLine(), OpenMD::BondTypesSectionParser::parseLine(), OpenMD::ChargeAtomTypesSectionParser::parseLine(), OpenMD::BaseAtomTypesSectionParser::parseLine(), OpenMD::BendTypesSectionParser::parseLine(), OpenMD::StickyPowerAtomTypesSectionParser::parseLine(), OpenMD::TorsionTypesSectionParser::parseLine(), OpenMD::EAMAtomTypesSectionParser::parseLine(), OpenMD::ShapeAtomTypesSectionParser::parseLine(), OpenMD::SCAtomTypesSectionParser::parseLine(), OpenMD::FluctuatingChargeAtomTypesSectionParser::parseLine(), OpenMD::OptionSectionParser::parseLine(), OpenMD::NonBondedInteractionsSectionParser::parseLine(), OpenMD::InversionTypesSectionParser::parseLine(), OpenMD::RNEMD::parseOutputFileFormat(), OpenMD::MultipoleAtomTypesSectionParser::parseQuadrupole(), OpenMD::ShapeAtomTypesSectionParser::parseShapeFile(), OpenMD::DumpReader::parseSiteLine(), OpenMD::Stats::parseStatFileFormat(), OpenMD::MoLocator::placeMol(), OpenMD::DumpWriter::prepareDumpLine(), OpenMD::DumpWriter::prepareSiteLine(), OpenMD::DensityPlot::process(), OpenMD::P2OrderParameter::process(), OpenMD::NitrileFrequencyMap::process(), OpenMD::NanoVolume::process(), OpenMD::pAngle::process(), OpenMD::CoordinationNumber::process(), OpenMD::Hxy::process(), OpenMD::Rattle::Rattle(), OpenMD::DumpReader::readFrameProperties(), OpenMD::RestReader::readFrameProperties(), OpenMD::DumpReader::readSet(), OpenMD::RestReader::readSet(), OpenMD::DumpReader::readStuntDoubles(), OpenMD::RestReader::readStuntDoubles(), OpenMD::RestraintForceManager::RestraintForceManager(), OpenMD::RestReader::RestReader(), OpenMD::RestWriter::RestWriter(), OpenMD::RippleOP::RippleOP(), OpenMD::RNEMD::RNEMD(), OpenMD::RNEMDRTheta::RNEMDRTheta(), OpenMD::NPTsz::scaleSimBox(), OpenMD::NPTxyz::scaleSimBox(), OpenMD::NPTi::scaleSimBox(), OpenMD::NPTf::scaleSimBox(), OpenMD::DumpReader::scanFile(), OpenMD::SCDElem::SCDElem(), OpenMD::ParallelRandNumGen::seed(), OpenMD::SimSnapshotManager::setCapacity(), OpenMD::ForceFieldOptions::setData(), OpenMD::SwitchingFunction::setSwitch(), OpenMD::SwitchingFunction::setSwitchType(), OpenMD::ForceManager::setupCutoffs(), OpenMD::Shake::Shake(), OpenMD::ShellStatistics::ShellStatistics(), simError(), OpenMD::StatWriter::StatWriter(), OpenMD::ThermoIntegrationForceManager::ThermoIntegrationForceManager(), OpenMD::TimeCorrFunc::TimeCorrFunc(), QuantLib::Constraint::update(), QuantLib::LineSearch::update(), OpenMD::TorForCorrFunc::validateSelection(), OpenMD::ForTorCorrFunc::validateSelection(), OpenMD::TorqueAutoCorrFunc::validateSelection(), OpenMD::DipoleCorrFunc::validateSelection(), OpenMD::MomAngMomCorrFunc::validateSelection(), OpenMD::LegendreCorrFunc::validateSelection(), OpenMD::LegendreCorrFuncZ::validateSelection(), OpenMD::COHZ::validateSelection(), OpenMD::FreqFlucCorrFunc::validateSelection(), MATPACK::Wigner3jm(), OpenMD::AngleR::writeAngleR(), OpenMD::BondAngleDistribution::writeBondAngleDistribution(), OpenMD::StressCorrFunc::writeCorrelate(), OpenMD::ActionCorrFunc::writeCorrelate(), OpenMD::DirectionalRCorrFunc::writeCorrelate(), OpenMD::SystemDipoleCorrFunc::writeCorrelate(), OpenMD::LegendreCorrFunc::writeCorrelate(), OpenMD::LegendreCorrFuncZ::writeCorrelate(), OpenMD::COHZ::writeCorrelate(), OpenMD::MomentumCorrFunc::writeCorrelate(), OpenMD::EnergyCorrFunc::writeCorrelate(), OpenMD::RCorrFuncZ::writeCorrelate(), OpenMD::MultipassCorrFunc< Mat3x3d >::writeCorrelate(), OpenMD::TimeCorrFunc::writeCorrelate(), OpenMD::ObjectCount::writeCounts(), OpenMD::StaticAnalyser::writeData(), OpenMD::DensityPlot::writeDensity(), OpenMD::RhoZ::writeDensity(), OpenMD::PotDiff::writeDiff(), OpenMD::StaticAnalyser::writeErrorBars(), OpenMD::DumpWriter::writeFrameProperties(), OpenMD::HBondGeometric::writeHistogram(), OpenMD::StatWriter::writeMatrix(), OpenMD::TetrahedralityParam::writeOrderParameter(), OpenMD::BondOrderParameter::writeOrderParameter(), OpenMD::IcosahedralOfR::writeOrderParameter(), OpenMD::FCCOfR::writeOrderParameter(), OpenMD::TetrahedralityHBMatrix::writeOutput(), OpenMD::StaticAnalyser::writeOutput(), OpenMD::RNEMD::writeOutputFile(), OpenMD::StatWriter::writePotVec(), OpenMD::NitrileFrequencyMap::writeProbs(), OpenMD::pAngle::writeProbs(), OpenMD::TetrahedralityParamDens::writeQdens(), OpenMD::TetrahedralityParamXYZ::writeQxyz(), OpenMD::TetrahedralityParamZ::writeQz(), OpenMD::GofXyz::writeRdf(), OpenMD::Kirkwood::writeRdf(), OpenMD::GofRAngle2::writeRdf(), OpenMD::GofZ::writeRdf(), OpenMD::TwoDGofR::writeRdf(), OpenMD::GofR::writeRdf(), OpenMD::GofRZ::writeRdf(), OpenMD::GofAngle2::writeRdf(), OpenMD::GofRAngle::writeRdf(), OpenMD::RNEMD::writeReal(), OpenMD::StatWriter::writeReal(), OpenMD::RNEMD::writeRealErrorBars(), OpenMD::RhoR::writeRhoR(), OpenMD::CenterOfMass::writeSequence(), OpenMD::GCNSeq::writeSequence(), OpenMD::SequentialAnalyzer::writeSequence(), OpenMD::StatWriter::writeStat(), OpenMD::StatWriter::writeStatReport(), OpenMD::Field< Vector3d >::writeValue(), OpenMD::RNEMD::writeVector(), OpenMD::StatWriter::writeVector(), OpenMD::RNEMD::writeVectorErrorBars(), OpenMD::ZconstraintForceManager::ZconstraintForceManager(), OpenMD::ZConsVisitor::ZConsVisitor(), and OpenMD::ZConsWriter::ZConsWriter().

◆ isEventLoop

int errorStruct::isEventLoop

Definition at line 14 of file simError.h.

Referenced by initSimError(), and simError().

◆ isFatal

int errorStruct::isFatal

Definition at line 12 of file simError.h.

Referenced by OpenMD::RigidBody::addAtom(), OpenMD::SHAPES::addShape(), OpenMD::LJ::addType(), OpenMD::FluctuatingChargeForces::addType(), OpenMD::GB::addType(), OpenMD::Sticky::addType(), OpenMD::SC::addType(), OpenMD::EAM::addType(), OpenMD::Electrostatic::addType(), OpenMD::DataHolder::assign(), OpenMD::EAM::calcForce(), OpenMD::AnalyticalModel::calcHydroProps(), OpenMD::MoLocator::calcRef(), OpenMD::RigidBody::calcRefCoords(), OpenMD::GofRAngle2::collectHistogram(), OpenMD::GofAngle2::collectHistogram(), OpenMD::BondOrderParameter::collectHistogram(), OpenMD::SelectionCompiler::compileError(), OpenMD::ConvexHull::computeHull(), OpenMD::AlphaHull::computeHull(), OpenMD::ConstraintElem::ConstraintElem(), OpenMD::ConstraintWriter::ConstraintWriter(), ParameterTraits< std::pair< int, int > >::convert(), OpenMD::TimeCorrFunc::correlateBlocks(), OpenMD::HBondJump::correlation(), OpenMD::MultipassCorrFunc< Mat3x3d >::correlation(), OpenMD::MoleculeCreator::createAtom(), OpenMD::BeadModel::createBeads(), OpenMD::MoleculeCreator::createBend(), OpenMD::MoleculeCreator::createBond(), OpenMD::MoleculeCreator::createInversion(), createMdFile(), OpenMD::MoleculeCreator::createMolecule(), OpenMD::SimCreator::createSim(), OpenMD::BeadModel::createSingleBead(), OpenMD::MoleculeCreator::createTorsion(), OpenMD::DirectionalAtom::DirectionalAtom(), OpenMD::SimCreator::divideMolecules(), OpenMD::Shake::doConstraint(), OpenMD::Rattle::doConstraint(), OpenMD::MultipassCorrFunc< Mat3x3d >::doCorrelate(), OpenMD::ContactAngle1::doFrame(), OpenMD::RNEMD::doNIVS(), OpenMD::RestraintForceManager::doRestraints(), OpenMD::RNEMD::doSwap(), OpenMD::RNEMD::doVSS(), OpenMD::DumpReader::DumpReader(), OpenMD::DumpWriter::DumpWriter(), QuantLib::EndCriteria::EndCriteria(), OpenMD::SelectionEvaluator::evalError(), OpenMD::GofRTheta::evaluateAngle(), OpenMD::GofROmega::evaluateAngle(), OpenMD::SphericalHarmonic::Fact(), OpenMD::HullFinder::findHull(), OpenMD::ForceDecomposition::ForceDecomposition(), OpenMD::ElementsTable::GetAtomicNum(), OpenMD::RigidBody::getAtomPos(), OpenMD::RigidBody::getAtomRefCoor(), OpenMD::RigidBody::getAtomVel(), OpenMD::DirectionalAdapter::getDirectionalParam(), OpenMD::RNEMD::getDividingArea(), OpenMD::EAMAdapter::getEAMParam(), OpenMD::EAMAdapter::getF3minus(), OpenMD::EAMAdapter::getF3plus(), OpenMD::FixedChargeAdapter::getFixedChargeParam(), OpenMD::FluctuatingChargeAdapter::getFluctuatingChargeParam(), OpenMD::EAMAdapter::getFuncflParam(), OpenMD::EAMAdapter::getGamma(), OpenMD::SHAPES::getGayBerneCut(), OpenMD::GayBerneAdapter::getGayBerneParam(), OpenMD::CompositeShape::getHydroProp(), OpenMD::SimInfo::getIOIndexToIntegrableObject(), OpenMD::SHAPES::getLJParam(), OpenMD::LennardJonesAdapter::getLJParam(), OpenMD::MultipoleAdapter::getMultipoleParam(), OpenMD::EAMAdapter::getNu(), OpenMD::EAMAdapter::getOF(), OpenMD::EAMAdapter::getOrhoE(), OpenMD::EAMAdapter::getOrhoLimits(), OpenMD::EAM::getPhi(), OpenMD::PolarizableAdapter::getPolarizableParam(), OpenMD::EAMAdapter::getRhoh(), OpenMD::EAMAdapter::getRhol(), OpenMD::EAMAdapter::getRhos(), OpenMD::StickyAdapter::getStickyParam(), OpenMD::SelectionEvaluator::getSurfaceArea(), OpenMD::SuttonChenAdapter::getSuttonChenParam(), OpenMD::EAMAdapter::getZhouParam(), OpenMD::ApproximationModel::init(), OpenMD::ElementsTable::Init(), OpenMD::FluctuatingChargeNVE::initialize(), OpenMD::LJ::initialize(), OpenMD::RepulsivePower::initialize(), OpenMD::Morse::initialize(), OpenMD::InteractionManager::initialize(), OpenMD::Mie::initialize(), OpenMD::MAW::initialize(), OpenMD::Buckingham::initialize(), OpenMD::UniformField::initialize(), OpenMD::FluctuatingChargeNVT::initialize(), OpenMD::FluctuatingChargeLangevin::initialize(), OpenMD::Electrostatic::initialize(), OpenMD::EAM::initialize(), OpenMD::UniformGradient::initialize(), initSimError(), OpenMD::Integrator::Integrator(), OpenMD::ShapeBuilder::internalCreateShape(), OpenMD::LangevinHullForceManager::LangevinHullForceManager(), OpenMD::LDForceManager::LDForceManager(), OpenMD::LipidTransVisitor::LipidTransVisitor(), OpenMD::SimCreator::loadCoordinates(), OpenMD::SelectionEvaluator::loadScript(), main(), OpenMD::NameFinder::match(), OpenMD::MultipassCorrFunc< Mat3x3d >::MultipassCorrFunc(), OpenMD::NgammaT::NgammaT(), OpenMD::NitrileFrequencyMap::NitrileFrequencyMap(), OpenMD::NPrT::NPrT(), OpenMD::NPT::NPT(), OpenMD::NVT::NVT(), OpenMD::ForceField::openForceFieldFile(), QuantLib::operator<<(), OpenMD::ParallelRandNumGen::ParallelRandNumGen(), OpenMD::SectionParserManager::parse(), OpenMD::MultipoleAtomTypesSectionParser::parseDipole(), OpenMD::DumpReader::parseDumpLine(), OpenMD::RestReader::parseDumpLine(), OpenMD::EAMAtomTypesSectionParser::parseEAMArray(), OpenMD::SimCreator::parseFile(), OpenMD::EAMAtomTypesSectionParser::parseFuncflFile(), OpenMD::DirectionalAtomTypesSectionParser::parseLine(), OpenMD::GayBerneAtomTypesSectionParser::parseLine(), OpenMD::LennardJonesAtomTypesSectionParser::parseLine(), OpenMD::AtomTypesSectionParser::parseLine(), OpenMD::MultipoleAtomTypesSectionParser::parseLine(), OpenMD::PolarizableAtomTypesSectionParser::parseLine(), OpenMD::StickyAtomTypesSectionParser::parseLine(), OpenMD::BondTypesSectionParser::parseLine(), OpenMD::ChargeAtomTypesSectionParser::parseLine(), OpenMD::BaseAtomTypesSectionParser::parseLine(), OpenMD::BendTypesSectionParser::parseLine(), OpenMD::StickyPowerAtomTypesSectionParser::parseLine(), OpenMD::TorsionTypesSectionParser::parseLine(), OpenMD::EAMAtomTypesSectionParser::parseLine(), OpenMD::ShapeAtomTypesSectionParser::parseLine(), OpenMD::SCAtomTypesSectionParser::parseLine(), OpenMD::FluctuatingChargeAtomTypesSectionParser::parseLine(), OpenMD::OptionSectionParser::parseLine(), OpenMD::NonBondedInteractionsSectionParser::parseLine(), OpenMD::InversionTypesSectionParser::parseLine(), OpenMD::RNEMD::parseOutputFileFormat(), OpenMD::MultipoleAtomTypesSectionParser::parseQuadrupole(), OpenMD::ShapeAtomTypesSectionParser::parseShapeFile(), OpenMD::DumpReader::parseSiteLine(), OpenMD::Stats::parseStatFileFormat(), OpenMD::MoLocator::placeMol(), OpenMD::DumpWriter::prepareDumpLine(), OpenMD::DumpWriter::prepareSiteLine(), OpenMD::DensityPlot::process(), OpenMD::P2OrderParameter::process(), OpenMD::NitrileFrequencyMap::process(), OpenMD::NanoVolume::process(), OpenMD::pAngle::process(), OpenMD::CoordinationNumber::process(), OpenMD::Hxy::process(), OpenMD::Rattle::Rattle(), OpenMD::DumpReader::readFrameProperties(), OpenMD::RestReader::readFrameProperties(), OpenMD::DumpReader::readSet(), OpenMD::RestReader::readSet(), OpenMD::DumpReader::readStuntDoubles(), OpenMD::RestReader::readStuntDoubles(), OpenMD::RestraintForceManager::RestraintForceManager(), OpenMD::RestReader::RestReader(), OpenMD::RestWriter::RestWriter(), OpenMD::RippleOP::RippleOP(), OpenMD::RNEMD::RNEMD(), OpenMD::RNEMDRTheta::RNEMDRTheta(), OpenMD::NPTsz::scaleSimBox(), OpenMD::NPTxyz::scaleSimBox(), OpenMD::NPTi::scaleSimBox(), OpenMD::NPTf::scaleSimBox(), OpenMD::DumpReader::scanFile(), OpenMD::SCDElem::SCDElem(), OpenMD::ParallelRandNumGen::seed(), OpenMD::SimSnapshotManager::setCapacity(), OpenMD::ForceFieldOptions::setData(), OpenMD::SwitchingFunction::setSwitch(), OpenMD::SwitchingFunction::setSwitchType(), OpenMD::ForceManager::setupCutoffs(), OpenMD::Shake::Shake(), OpenMD::ShellStatistics::ShellStatistics(), simError(), OpenMD::StatWriter::StatWriter(), OpenMD::ThermoIntegrationForceManager::ThermoIntegrationForceManager(), OpenMD::TimeCorrFunc::TimeCorrFunc(), QuantLib::Constraint::update(), QuantLib::LineSearch::update(), OpenMD::TorForCorrFunc::validateSelection(), OpenMD::ForTorCorrFunc::validateSelection(), OpenMD::TorqueAutoCorrFunc::validateSelection(), OpenMD::DipoleCorrFunc::validateSelection(), OpenMD::MomAngMomCorrFunc::validateSelection(), OpenMD::LegendreCorrFunc::validateSelection(), OpenMD::LegendreCorrFuncZ::validateSelection(), OpenMD::COHZ::validateSelection(), OpenMD::FreqFlucCorrFunc::validateSelection(), MATPACK::Wigner3jm(), OpenMD::AngleR::writeAngleR(), OpenMD::BondAngleDistribution::writeBondAngleDistribution(), OpenMD::StressCorrFunc::writeCorrelate(), OpenMD::ActionCorrFunc::writeCorrelate(), OpenMD::DirectionalRCorrFunc::writeCorrelate(), OpenMD::SystemDipoleCorrFunc::writeCorrelate(), OpenMD::LegendreCorrFunc::writeCorrelate(), OpenMD::LegendreCorrFuncZ::writeCorrelate(), OpenMD::COHZ::writeCorrelate(), OpenMD::MomentumCorrFunc::writeCorrelate(), OpenMD::EnergyCorrFunc::writeCorrelate(), OpenMD::RCorrFuncZ::writeCorrelate(), OpenMD::MultipassCorrFunc< Mat3x3d >::writeCorrelate(), OpenMD::TimeCorrFunc::writeCorrelate(), OpenMD::ObjectCount::writeCounts(), OpenMD::StaticAnalyser::writeData(), OpenMD::DensityPlot::writeDensity(), OpenMD::RhoZ::writeDensity(), OpenMD::PotDiff::writeDiff(), OpenMD::StaticAnalyser::writeErrorBars(), OpenMD::DumpWriter::writeFrameProperties(), OpenMD::HBondGeometric::writeHistogram(), OpenMD::StatWriter::writeMatrix(), OpenMD::TetrahedralityParam::writeOrderParameter(), OpenMD::BondOrderParameter::writeOrderParameter(), OpenMD::IcosahedralOfR::writeOrderParameter(), OpenMD::FCCOfR::writeOrderParameter(), OpenMD::TetrahedralityHBMatrix::writeOutput(), OpenMD::StaticAnalyser::writeOutput(), OpenMD::RNEMD::writeOutputFile(), OpenMD::StatWriter::writePotVec(), OpenMD::NitrileFrequencyMap::writeProbs(), OpenMD::pAngle::writeProbs(), OpenMD::TetrahedralityParamDens::writeQdens(), OpenMD::TetrahedralityParamXYZ::writeQxyz(), OpenMD::TetrahedralityParamZ::writeQz(), OpenMD::GofXyz::writeRdf(), OpenMD::Kirkwood::writeRdf(), OpenMD::GofRAngle2::writeRdf(), OpenMD::GofZ::writeRdf(), OpenMD::TwoDGofR::writeRdf(), OpenMD::GofR::writeRdf(), OpenMD::GofRZ::writeRdf(), OpenMD::GofAngle2::writeRdf(), OpenMD::GofRAngle::writeRdf(), OpenMD::RNEMD::writeReal(), OpenMD::StatWriter::writeReal(), OpenMD::RNEMD::writeRealErrorBars(), OpenMD::RhoR::writeRhoR(), OpenMD::CenterOfMass::writeSequence(), OpenMD::GCNSeq::writeSequence(), OpenMD::SequentialAnalyzer::writeSequence(), OpenMD::StatWriter::writeStat(), OpenMD::StatWriter::writeStatReport(), OpenMD::Field< Vector3d >::writeValue(), OpenMD::RNEMD::writeVector(), OpenMD::StatWriter::writeVector(), OpenMD::RNEMD::writeVectorErrorBars(), OpenMD::ZconstraintForceManager::ZconstraintForceManager(), OpenMD::ZConsVisitor::ZConsVisitor(), and OpenMD::ZConsWriter::ZConsWriter().

◆ severity

int errorStruct::severity

Definition at line 13 of file simError.h.

Referenced by OpenMD::SHAPES::addShape(), OpenMD::LJ::addType(), OpenMD::FluctuatingChargeForces::addType(), OpenMD::GB::addType(), OpenMD::Sticky::addType(), OpenMD::SC::addType(), OpenMD::EAM::addType(), OpenMD::Electrostatic::addType(), OpenMD::DataHolder::assign(), OpenMD::EAM::calcForce(), OpenMD::AnalyticalModel::calcHydroProps(), OpenMD::BondOrderParameter::collectHistogram(), OpenMD::SelectionCompiler::compileError(), ParameterTraits< std::pair< int, int > >::convert(), OpenMD::BeadModel::createBeads(), OpenMD::MoleculeCreator::createInversion(), OpenMD::BeadModel::createSingleBead(), OpenMD::SimCreator::divideMolecules(), OpenMD::MultipassCorrFunc< Mat3x3d >::doCorrelate(), OpenMD::ContactAngle1::doFrame(), OpenMD::RNEMD::doNIVS(), OpenMD::RestraintForceManager::doRestraints(), OpenMD::RNEMD::doSwap(), OpenMD::RNEMD::doVSS(), QuantLib::EndCriteria::EndCriteria(), OpenMD::SelectionEvaluator::evalError(), OpenMD::HullFinder::findHull(), OpenMD::ForceDecomposition::ForceDecomposition(), OpenMD::ElementsTable::GetAtomicNum(), OpenMD::DirectionalAdapter::getDirectionalParam(), OpenMD::RNEMD::getDividingArea(), OpenMD::EAMAdapter::getEAMParam(), OpenMD::EAMAdapter::getF3minus(), OpenMD::EAMAdapter::getF3plus(), OpenMD::FixedChargeAdapter::getFixedChargeParam(), OpenMD::FluctuatingChargeAdapter::getFluctuatingChargeParam(), OpenMD::EAMAdapter::getFuncflParam(), OpenMD::EAMAdapter::getGamma(), OpenMD::SHAPES::getGayBerneCut(), OpenMD::GayBerneAdapter::getGayBerneParam(), OpenMD::CompositeShape::getHydroProp(), OpenMD::SHAPES::getLJParam(), OpenMD::LennardJonesAdapter::getLJParam(), OpenMD::MultipoleAdapter::getMultipoleParam(), OpenMD::EAMAdapter::getNu(), OpenMD::EAMAdapter::getOF(), OpenMD::EAMAdapter::getOrhoE(), OpenMD::EAMAdapter::getOrhoLimits(), OpenMD::EAM::getPhi(), OpenMD::PolarizableAdapter::getPolarizableParam(), OpenMD::EAMAdapter::getRhoh(), OpenMD::EAMAdapter::getRhol(), OpenMD::EAMAdapter::getRhos(), OpenMD::StickyAdapter::getStickyParam(), OpenMD::SelectionEvaluator::getSurfaceArea(), OpenMD::SuttonChenAdapter::getSuttonChenParam(), OpenMD::EAMAdapter::getZhouParam(), OpenMD::LJ::initialize(), OpenMD::RepulsivePower::initialize(), OpenMD::Morse::initialize(), OpenMD::InteractionManager::initialize(), OpenMD::Mie::initialize(), OpenMD::MAW::initialize(), OpenMD::Buckingham::initialize(), OpenMD::FluctuatingChargeNVT::initialize(), OpenMD::FluctuatingChargeLangevin::initialize(), OpenMD::Electrostatic::initialize(), OpenMD::EAM::initialize(), initSimError(), OpenMD::ShapeBuilder::internalCreateShape(), OpenMD::LangevinHullForceManager::LangevinHullForceManager(), OpenMD::LDForceManager::LDForceManager(), OpenMD::SelectionEvaluator::loadScript(), main(), OpenMD::NameFinder::match(), OpenMD::MultipassCorrFunc< Mat3x3d >::MultipassCorrFunc(), OpenMD::NgammaT::NgammaT(), OpenMD::NPrT::NPrT(), OpenMD::NPT::NPT(), OpenMD::NVT::NVT(), OpenMD::ForceField::openForceFieldFile(), QuantLib::operator<<(), OpenMD::ShapeAtomTypesSectionParser::parseLine(), OpenMD::RNEMD::parseOutputFileFormat(), OpenMD::ShapeAtomTypesSectionParser::parseShapeFile(), OpenMD::Stats::parseStatFileFormat(), OpenMD::DensityPlot::process(), OpenMD::P2OrderParameter::process(), OpenMD::pAngle::process(), OpenMD::RestraintForceManager::RestraintForceManager(), OpenMD::RippleOP::RippleOP(), OpenMD::RNEMD::RNEMD(), OpenMD::NPTsz::scaleSimBox(), OpenMD::SCDElem::SCDElem(), OpenMD::SwitchingFunction::setSwitch(), OpenMD::SwitchingFunction::setSwitchType(), OpenMD::ForceManager::setupCutoffs(), simError(), QuantLib::Constraint::update(), and QuantLib::LineSearch::update().


The documentation for this struct was generated from the following file: