Here is a list of all documented class members with links to the class documentation for each member:
- e -
- E_angle
: gmx::IMDEnergyBlock
- E_bond
: gmx::IMDEnergyBlock
- E_coul
: gmx::IMDEnergyBlock
- E_dihe
: gmx::IMDEnergyBlock
- E_impr
: gmx::IMDEnergyBlock
- E_pot
: gmx::IMDEnergyBlock
- E_tot
: gmx::IMDEnergyBlock
- E_vdw
: gmx::IMDEnergyBlock
- eDataPropertyNR
: gmx::AnalysisDataModuleManager
- edrFileName_
: gmx::test::ReferenceFileNames
- edrFilename_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- edrOutputFilename_
: gmx::EdrOutputFilename
- edsamHistory
: ObservablesHistory
- edt
: t_oriresdata
- edt_1
: t_oriresdata
- eElec
: NBStagingData
, NBAtomDataGpu
- efAllowMissing
: gmx::IAnalysisDataModule
- efAllowMulticolumn
: gmx::IAnalysisDataModule
- efAllowMultipleDataSets
: gmx::IAnalysisDataModule
- efAllowMultipoint
: gmx::IAnalysisDataModule
- eFinished
: gmx::AnalysisDataModuleManager::Impl
, gmx::internal::AnalysisDataStorageFrameData
- Efl
: anonymous_namespace{edsam.cpp}::t_edflood
- efNoUserPBC
: gmx::TrajectoryAnalysisSettings
- efNoUserRmPBC
: gmx::TrajectoryAnalysisSettings
- efOnlyMultipoint
: gmx::IAnalysisDataModule
- efRequireTop
: gmx::TrajectoryAnalysisSettings
- efUseTopV
: gmx::TrajectoryAnalysisSettings
- efUseTopX
: gmx::TrajectoryAnalysisSettings
- eig_diag
: t_oriresdata
- eigenOutput
: t_oriresdata
- eInData
: gmx::AnalysisDataModuleManager::Impl
- eInFrame
: gmx::AnalysisDataModuleManager::Impl
- eIntegrator
: CheckpointHeaderContents
- ekin_n
: ekinstate_t
- ekin_total
: ekinstate_t
- ekind_
: gmx::LegacySimulatorData
- ekindata()
: gmx::EnergyData
- ekindata_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- ekindata_p
: gmx::SimulatorStateData
- ekinf
: ekinstate_t
- ekinh
: ekinstate_t
- ekinh_old
: ekinstate_t
- ekinscalef_nhc
: ekinstate_t
- ekinscaleh_nhc
: ekinstate_t
- ekinstate
: t_state
- elapsed_time
: gmx_walltime_accounting
- elapsed_time_over_all_threads
: gmx_walltime_accounting
- elecCutoff
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecEwald
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecEwaldAna
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecEwaldTab
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecEwaldTwin
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecRF
: Nbnxm::EnergyFunctionProperties< elecType, vdwType >
- elecType
: NBParamGpu
, cl_nbparam_params
- elem()
: SimulationParticle
- Element()
: gmx::StatePropagatorData::Element
- element()
: gmx::EnergyData
, gmx::FreeEnergyPerturbationData
, gmx::StatePropagatorData
- Element()
: gmx::EnergyData::Element
, gmx::FreeEnergyPerturbationData::Element
- element_type
: gmx::accessor_basic< ElementType >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- elementFromAtomNumber()
: AtomProperties
- elementIsStored()
: gmx::ModularSimulatorAlgorithmBuilderHelper
- ElementNotFoundError()
: gmx::ElementNotFoundError
- elements()
: gmx::KeyValueTreePath
- elementSetup()
: 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
- 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
- elFactor
: PmeGpuConstParams
, SolveKernelParams
- eLJ
: NBStagingData
, NBAtomDataGpu
- eMissing
: gmx::internal::AnalysisDataStorageFrameData
- emplace_back()
: gmx::FixedCapacityVector< typename, size_t >
- empty()
: gmx::ListOfLists< typename >
, gmx::Range< typename >
, gmx::ArrayRefWithPadding< typename >
, gmx::IntegerBox
, gmx::PaddedVector< T, Allocator >
, JClusterList
, PackedJClusterList
, gmx::OptionManagerContainer
, gmx::internal::SimdArrayRef< T >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::KeyValueTreePath
, gmx::ArrayRef< typename >
- emulateGpu()
: nonbonded_verlet_t
- eMultipleColumns
: gmx::AnalysisDataModuleManager
- eMultipleDataSets
: gmx::AnalysisDataModuleManager
- eMultipoint
: gmx::AnalysisDataModuleManager
- enableCudaGraphs
: gmx::DevelopmentFeatureFlags
- enableExternalFepStateSetting()
: gmx::FreeEnergyPerturbationData
, gmx::FreeEnergyPerturbationData::Element
- enableFPExceptions()
: gmx::CommandLineCommonOptionsHolder
- enableGpuBufferOps
: gmx::DevelopmentFeatureFlags
- enableGpuPmeDecomposition
: gmx::DevelopmentFeatureFlags
- enableNvshmem
: gmx::DevelopmentFeatureFlags
- end()
: gmx::EnergyTerm
, WorkDivision
, gmx::IntegerBox
, gmx::internal::SimdArrayRef< T >
, AtomRange
, IListRange
, gmx::EnergyFrame
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
, gmx::Range< typename >
- end_
: gmx::SelectionParserSymbolIterator::Impl
- endIndex
: gmx::SelectionLocation
- endIterator()
: gmx::SelectionParserSymbolTable
- endRecord()
: gmx::MdGpuGraph::Impl
- endStorageLocation()
: gmx::internal::AnalysisDataStorageImpl
- enerd
: gmx::ImdSession::Impl
, anonymous_namespace{minimize.cpp}::EnergyEvaluator
- enerd_
: gmx::LegacySimulatorData
, gmx::ForceProviderOutput
- enerdata()
: gmx::EnergyData
- enerdata_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- enerdata_p
: gmx::SimulatorStateData
- energies
: gmx::ImdSession::Impl
, ForeignLambdaTerms
- energrp
: nbnxn_atomdata_t::Params
- energy
: gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities
, gmx::test::anonymous_namespace{bonded.cpp}::OutputQuantities
, gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities
, DispersionCorrection::Correction
, gmx::PotentialPointData
- EnergyAnalysisFrame()
: gmx::EnergyAnalysisFrame
- energyAtTime()
: gmx::EnergyAnalysisFrame
- EnergyCalculationFrequencyErrors()
: gmx::EnergyCalculationFrequencyErrors
- energyCalculationIntervalInSteps()
: gmx::EnergyCalculationFrequencyErrors
- EnergyComparison()
: gmx::test::EnergyComparison
- energyComparison_
: gmx::test::PeriodicActionsTest
- EnergyData()
: gmx::EnergyData
- energyDrift()
: gmx::EnergyDriftTracker
- energyDriftString()
: gmx::EnergyDriftTracker
- EnergyDriftTracker()
: gmx::EnergyDriftTracker
- energyFile_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- EnergyFrame()
: gmx::EnergyFrame
- EnergyFrameReader()
: gmx::test::EnergyFrameReader
- energyHistory
: ObservablesHistory
- energyName
: gmx::EnergyNameUnit
- energyOutputToDensityFitting_
: gmx::MDModulesEnergyOutputToDensityFittingRequestChecker
- energyOutputToQMMM_
: gmx::MDModulesEnergyOutputToQMMMRequestChecker
- energysendbuf
: gmx::ImdSession::Impl
- energySumOverNumSteps()
: gmx::EnergyAnalysisFrame
- EnergyTerm()
: gmx::EnergyTerm
- energyTerms()
: gmx::ThreadForceBuffer< ForceBufferElementType >
- energyUnit
: gmx::EnergyNameUnit
- energyVarianceOverNumSteps()
: gmx::EnergyAnalysisFrame
- enforcedRotation
: anonymous_namespace{minimize.cpp}::EnergyEvaluator
- enforcedRotation_
: gmx::LegacySimulatorData
, gmx::ConstraintsParam
- enfrotgrp
: gmx_enfrot
- eNotified
: gmx::internal::AnalysisDataStorageFrameData
- eNotStarted
: gmx::AnalysisDataModuleManager::Impl
- EnsembleTemperature()
: gmx::EnsembleTemperature
- 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
- entry
: AtomProperty
- enumerateFiles()
: gmx::DataFileFinder
- enumerateFilesWithExtension()
: gmx::DirectoryEnumerator
- EnumerationIterator()
: gmx::EnumerationIterator< EnumType, Last, Step >
- EnumerationWrapperType
: gmx::EnumerationArray< EnumType, DataType, ArraySize >
- EnumIndexStore()
: gmx::internal::EnumIndexStore< EnumType >
- EnumOption()
: gmx::EnumOption< EnumType >
- EnumOptionInfo()
: gmx::EnumOptionInfo
- EnumOptionStorage
: gmx::EnumOption< EnumType >
, gmx::LegacyEnumOption< EnumType >
, gmx::EnumOptionStorage
- enumValue()
: gmx::StringOption
, gmx::EnumOption< EnumType >
, gmx::LegacyEnumOption< EnumType >
- enumValueFromNullTerminatedArray()
: gmx::StringOption
, gmx::LegacyEnumOption< EnumType >
- epgrppbc
: pull_group_work_t
- epot
: em_state
- epsfac
: cl_nbparam_params
, NBParamGpu
- epsilon_r
: PmeShared
- erase()
: gmx_ga2la_t
, gmx::HashedMap< T >
- error()
: gmx::AnalysisDataValue
, gmx::MDLogger
, gmx::test::AnalysisDataTestInputPointSet
, gmx::ColvarProxyGromacs
, gmx::AnalysisDataValue
- errorCode()
: gmx::ParallelConsistencyError
, gmx::InternalError
, gmx::test::TestException
, gmx::GromacsException
, gmx::FileIOError
, gmx::InvalidInputError
, gmx::InconsistentInputError
, gmx::ToleranceError
, gmx::SimulationInstabilityError
, gmx::APIError
, gmx::RangeError
, gmx::NotImplementedError
, gmx::ModularSimulatorError
- errorEstimate()
: gmx::EnergyTerm
- ErrorMessage()
: gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage
- errorMessages()
: gmx::EnergyCalculationFrequencyErrors
- eSearchMode_Automatic
: gmx::AnalysisNeighborhood
- eSearchMode_Grid
: gmx::AnalysisNeighborhood
- eSearchMode_Simple
: gmx::AnalysisNeighborhood
- eStarted
: gmx::internal::AnalysisDataStorageFrameData
- eSwapCoords
: CheckpointHeaderContents
- eTarget
: gmx::BiasParams
- etaVelocity()
: gmx::MttkData
- evaluate
: gmx::SelectionTreeElement
, gmx::anonymous_namespace{electricfield.cpp}::ElectricFieldDimension
, gmx::PullCoordExpressionParser
, gmx::IRestraintPotential
, gmx::SelectionCollection
, gmx::SelectionEvaluator
, t_compiler_data
- evaluateContractionPoint()
: gmx::NelderMeadSimplex
- Evaluated
: gmx::SelectionCollection::Impl
- evaluateDerivative()
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
- evaluateExpansionPoint()
: gmx::NelderMeadSimplex
- evaluateFinal()
: gmx::SelectionCollection
, gmx::SelectionEvaluator
- evaluateForce()
: gmx::DensityFittingForce
, gmx::DensityFittingForce::Impl
- evaluateForces()
: gmx::SelectionOption
- evaluateFunction()
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
, gmx::CubicSplineTable
, gmx::QuadraticSplineTable
, gmx::CubicSplineTable
- evaluateFunctionAndDerivative()
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
, gmx::CubicSplineTable
, gmx::QuadraticSplineTable
- evaluateReflectionPoint()
: gmx::NelderMeadSimplex
- evaluateVelocities()
: gmx::SelectionOption
- event
: gmx::PpForceCommManager
- eventRecorded
: gmx::PpForceCommManager
- ewald_beta
: NBParamGpu
, cl_nbparam_params
- EwaldBoxZScaler()
: EwaldBoxZScaler
- ewaldcoeff_lj
: NBParamGpu
, cl_nbparam_params
, pme_setup_t
- ewaldcoeff_q
: Nbnxm::KernelBenchOptions
, pme_setup_t
, PmeShared
- ewaldFactor
: PmeGpuGridParams
, SolveKernelParams
- ewaldRTol
: gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions
- ewaldRTolLJ
: gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions
- exception
: gmx_sel_lexer_t
- ExceptionInfo()
: gmx::ExceptionInfo< Tag, T >
- ExceptionInitializer()
: gmx::ExceptionInitializer
- exchangeInterval
: ReplicaExchangeParameters
- excl()
: JClusterList
, nbnxn_cj_t
, thread_work_t
, Nbnxm::gpu_plist
- excl_ind
: nbnxn_im_ei_t
- excl_nalloc
: Nbnxm::gpu_plist
- excls
: gmx_moltype_t
, gmx::BenchmarkSystem
, MoleculeInformation
, gmx_localtop_t
, gmx::test::anonymous_namespace{kernel_test.cpp}::TestSystem
- excludeDataset()
: gmx::test::AbstractTrajectoryAnalysisModuleTestFixture
- exclusion_filter
: nbnxn_atomdata_t::SimdMasks
- exclusion_filter64
: nbnxn_atomdata_t::SimdMasks
- exclusionIds()
: gmx::AnalysisNeighborhoodPositions
- execute()
: gmx::GpuForceReduction
- exp_min_t_tau
: t_oriresdata
- ExpandedEnsembleElement()
: gmx::ExpandedEnsembleElement
- expandedTopology()
: gmx::TopologyInformation
- expectedLambdas
: gmx::test::anonymous_namespace{freeenergyparameters.cpp}::FreeEnergyParameterTestParameters
- expectedNumGlobalBondedInteractions_
: gmx::LocalTopologyChecker::Impl
- expectedNumGlobalPerturbedExclusions_
: ExclusionChecker::Impl
- expectedOutput
: gmx::test::anonymous_namespace{textreader.cpp}::TextReaderTestParams
- expectEntryMatchingRegex()
: gmx::test::LoggerTestHelper
- expectNoEntries()
: gmx::test::LoggerTestHelper
- ExponentialDistribution()
: gmx::ExponentialDistribution< RealType >
- ExponentialMovingAverage()
: gmx::ExponentialMovingAverage
- exponentialMovingAverageState_
: gmx::DensityFittingForceProviderState
- exponentialMovingAverageStateName_
: gmx::DensityFittingForceProviderState
- exportHelp()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic
- exportModuleGroup()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText
, 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}::IHelpExport
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText
, gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion
- expr
: gmx::SelectionTreeElement
- expr_
: gmx::SelectionParserValue
- expressionParser
: pull_coord_work_t
- extendBuffer()
: gmx::internal::AnalysisDataStorageImpl
- extendedHeader_
: gmx::MrcDensityMapHeader
- extendedInfo()
: gmx::BinaryInformationSettings
- extension()
: gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler
- extensionCount()
: gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler
- ExtensionList
: gmx::FileNameOptionInfo
- extensions()
: gmx::FileNameOptionInfo
, gmx::FileNameOptionStorage
- extent()
: gmx::extents< StaticExtents >
, gmx::detail::extents_analyse< R, E0, StaticExtents...>
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
, gmx::detail::extents_analyse< 0 >
, gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
- extent_
: gmx::MrcDensityMapHeader
- extents()
: gmx::extents< StaticExtents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::layout_right::mapping< Extents >
- extents_analyse()
: 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...>
, gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
- extents_type
: gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- externalPotentialString()
: gmx::Awh
- ExtractClusterModuleTest()
: gmx::test::anonymous_namespace{extract_cluster.cpp}::ExtractClusterModuleTest