- e -
- ekindata()
: gmx::EnergyData
- element()
: gmx::EnergyData
, gmx::StatePropagatorData
- Element()
: gmx::EnergyData::Element
- element()
: gmx::FreeEnergyPerturbationData
- Element()
: gmx::FreeEnergyPerturbationData::Element
, gmx::StatePropagatorData::Element
- elementFromAtomNumber()
: AtomProperties
- elementIsStored()
: gmx::ModularSimulatorAlgorithmBuilderHelper
- ElementNotFoundError()
: gmx::ElementNotFoundError
- elements()
: gmx::KeyValueTreePath
- elementSetup()
: gmx::ConstraintsElement< variable >
, gmx::EnergyData::Element
, gmx::ExpandedEnsembleElement
, gmx::FirstOrderPressureCoupling
, gmx::ForceElement
, gmx::FreeEnergyPerturbationData::Element
, gmx::ISimulatorElement
, gmx::MttkElement
, gmx::AndersenTemperatureCoupling
, gmx::MttkBoxScaling
, gmx::NoseHooverChainsElement
, gmx::CheckpointHelper
, gmx::ParrinelloRahmanBarostat
, gmx::Propagator< integrationStage >
, gmx::CompositeSimulatorElement
, gmx::PullElement
, gmx::StatePropagatorData::Element
, gmx::ComputeGlobalsElement< algorithm >
, gmx::TrajectoryElement
, gmx::VelocityScalingTemperatureCoupling
- elementsView()
: gmx::ListOfLists< typename >
- elementTeardown()
: gmx::AndersenTemperatureCoupling
, gmx::CheckpointHelper
, gmx::CompositeSimulatorElement
, gmx::ComputeGlobalsElement< algorithm >
, gmx::ConstraintsElement< variable >
, gmx::EnergyData::Element
, gmx::ExpandedEnsembleElement
, gmx::FirstOrderPressureCoupling
, gmx::ForceElement
, gmx::FreeEnergyPerturbationData::Element
, gmx::ISimulatorElement
, gmx::MttkElement
, gmx::MttkBoxScaling
, gmx::NoseHooverChainsElement
, gmx::ParrinelloRahmanBarostat
, gmx::Propagator< integrationStage >
, gmx::PullElement
, gmx::StatePropagatorData::Element
, gmx::TrajectoryElement
, gmx::VelocityScalingTemperatureCoupling
- emplace_back()
: gmx::FixedCapacityVector< typename, size_t >
- empty()
: gmx::ArrayRefWithPadding< typename >
, gmx::IntegerBox
, gmx::PaddedVector< T, Allocator >
, gmx::OptionManagerContainer
, gmx::internal::SimdArrayRef< T >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::KeyValueTreePath
, gmx::Range< typename >
, gmx::ArrayRef< typename >
, gmx::ListOfLists< typename >
- emulateGpu()
: nonbonded_verlet_t
- enableExternalFepStateSetting()
: gmx::FreeEnergyPerturbationData
, gmx::FreeEnergyPerturbationData::Element
- enableFPExceptions()
: gmx::CommandLineCommonOptionsHolder
- end()
: WorkDivision
, gmx::IntegerBox
, gmx::internal::SimdArrayRef< T >
, AtomRange
, IListRange
, gmx::EnergyFrame
, gmx::FixedCapacityVector< typename, size_t >
, gmx::Range< typename >
, gmx::ArrayRef< typename >
- endIterator()
: gmx::SelectionParserSymbolTable
- endStorageLocation()
: gmx::internal::AnalysisDataStorageImpl
- enerdata()
: gmx::EnergyData
- energies()
: ForeignLambdaTerms
- EnergyCalculationFrequencyErrors()
: gmx::EnergyCalculationFrequencyErrors
- energyCalculationIntervalInSteps()
: gmx::EnergyCalculationFrequencyErrors
- EnergyComparison()
: gmx::test::EnergyComparison
- EnergyData()
: gmx::EnergyData
- energyDrift()
: gmx::EnergyDriftTracker
- energyDriftString()
: gmx::EnergyDriftTracker
- EnergyDriftTracker()
: gmx::EnergyDriftTracker
- EnergyFrame()
: gmx::EnergyFrame
- EnergyFrameReader()
: gmx::test::EnergyFrameReader
- energyTerms()
: gmx::ThreadForceBuffer< ForceBufferElementType >
- enqueueWaitEvent()
: GpuEventSynchronizer
- ensureEmptyLine()
: gmx::TextWriter
- ensureHelpModuleExists()
: gmx::CommandLineModuleManager::Impl
- ensureLineBreak()
: gmx::TextWriter
- ensureMultiSimBehaviorsMatch()
: gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler
- enterSubSection()
: gmx::CommandLineHelpContext
, gmx::HelpWriterContext
- enterTopic()
: gmx::HelpManager
- enumerateFiles()
: gmx::DataFileFinder
- enumerateFilesWithExtension()
: gmx::DirectoryEnumerator
- EnumerationIterator()
: gmx::EnumerationIterator< EnumType, Last, Step >
- EnumIndexStore()
: gmx::internal::EnumIndexStore< EnumType >
- EnumOption()
: gmx::EnumOption< EnumType >
- EnumOptionInfo()
: gmx::EnumOptionInfo
- EnumOptionStorage()
: gmx::EnumOptionStorage
- enumValue()
: gmx::StringOption
, gmx::EnumOption< EnumType >
, gmx::LegacyEnumOption< EnumType >
- enumValueFromNullTerminatedArray()
: gmx::StringOption
, gmx::LegacyEnumOption< EnumType >
- erase()
: gmx_ga2la_t
, gmx::HashedMap< T >
- error()
: gmx::test::AnalysisDataTestInputPointSet
, gmx::AnalysisDataValue
- errorCode()
: gmx::APIError
, gmx::RangeError
, gmx::NotImplementedError
, gmx::ParallelConsistencyError
, gmx::ModularSimulatorError
, gmx::InternalError
, gmx::InvalidInputError
, gmx::test::TestException
, gmx::GromacsException
, gmx::FileIOError
, gmx::InconsistentInputError
, gmx::ToleranceError
, gmx::SimulationInstabilityError
- ErrorMessage()
: gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage
- errorMessages()
: gmx::EnergyCalculationFrequencyErrors
- etaVelocity()
: gmx::MttkData
- evaluate()
: gmx::anonymous_namespace{electricfield.cpp}::ElectricFieldDimension
, gmx::PullCoordExpressionParser
, gmx::SelectionCollection
, gmx::IRestraintPotential
, gmx::SelectionEvaluator
- evaluateContractionPoint()
: gmx::NelderMeadSimplex
- evaluateDerivative()
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
, gmx::CubicSplineTable
- evaluateExpansionPoint()
: gmx::NelderMeadSimplex
- evaluateFinal()
: gmx::SelectionCollection
, gmx::SelectionEvaluator
- evaluateForce()
: gmx::DensityFittingForce
, gmx::DensityFittingForce::Impl
- evaluateForces()
: gmx::SelectionOption
- evaluateFunction()
: gmx::QuadraticSplineTable
, gmx::CubicSplineTable
, gmx::QuadraticSplineTable
- evaluateFunctionAndDerivative()
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
- evaluateReflectionPoint()
: gmx::NelderMeadSimplex
- evaluateVelocities()
: gmx::SelectionOption
- EwaldBoxZScaler()
: EwaldBoxZScaler
- ExceptionInfo()
: gmx::ExceptionInfo< Tag, T >
- ExceptionInitializer()
: gmx::ExceptionInitializer
- excludeDataset()
: gmx::test::AbstractTrajectoryAnalysisModuleTestFixture
- exclusionIds()
: gmx::AnalysisNeighborhoodPositions
- execute()
: gmx::GpuForceReduction
- ExpandedEnsembleElement()
: gmx::ExpandedEnsembleElement
- expandedTopology()
: gmx::TopologyInformation
- expectEntryMatchingRegex()
: gmx::test::LoggerTestHelper
- expectNoEntries()
: gmx::test::LoggerTestHelper
- ExponentialDistribution()
: gmx::ExponentialDistribution< RealType >
- ExponentialMovingAverage()
: gmx::ExponentialMovingAverage
- exportHelp()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic
- exportModuleGroup()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport
- exportModuleHelp()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText
- exportTopic()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport
- extendBuffer()
: gmx::internal::AnalysisDataStorageImpl
- extendedInfo()
: gmx::BinaryInformationSettings
- extension()
: gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler
- extensionCount()
: gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler
- extensions()
: gmx::FileNameOptionInfo
, gmx::FileNameOptionStorage
- extent()
: gmx::detail::extents_analyse< 0 >
, gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
, gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
, gmx::detail::extents_analyse< R, E0, StaticExtents...>
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::extents< StaticExtents >
- extents()
: gmx::extents< StaticExtents >
, gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::extents< StaticExtents >
- extents_analyse()
: gmx::detail::extents_analyse< R, E0, StaticExtents...>
, gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
, gmx::detail::extents_analyse< R, E0, StaticExtents...>
, gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
, gmx::detail::extents_analyse< 0 >
, gmx::detail::extents_analyse< R, E0, StaticExtents...>
- externalPotentialString()
: gmx::Awh
- ExtractClusterModuleTest()
: gmx::test::anonymous_namespace{extract_cluster.cpp}::ExtractClusterModuleTest