- i -
- iBoundingBoxes()
: Nbnxm::Grid
- iListInput()
: gmx::test::anonymous_namespace{bonded.cpp}::iListInput
- Impl()
: gmx::AnalysisDataSimpleHistogramModule::Impl
, gmx::CommandLineHelpContext::Impl
, gmx::PmePpCommGpu::Impl
, gmx::HelpWriterContext::Impl
, gmx::OptionsAssigner::Impl
, gmx::MrcDensityMapOfFloatReader::Impl
, gmx::SelectionCollection::Impl
, gmx::SelectionOptionManager::Impl
, gmx::CommandLineHelpContext::Impl
, gmx::MrcDensityMapOfFloatWriter::Impl
, gmx::SelectionParserSymbol::Impl
, gmx::SelectionParserSymbolIterator::Impl
, gmx::DeviceStreamManager::Impl
, gmx::SelectionParserSymbolIterator::Impl
, gmx::TrajectoryAnalysisModuleData::Impl
, gmx::AnalysisDataWeightedHistogramModule::Impl
, gmx::CommandLineHelpWriter::Impl
, gmx::ImdSession::Impl
, gmx::TrajectoryAnalysisSettings::Impl
, gmx::TextReader::Impl
, gmx::GpuBonded::Impl
, gmx::test::TestReferenceChecker::Impl
, gmx::CommandLineModuleManager::Impl
, gmx::DensityFittingForce::Impl
, gmx::test::TestFileManager::Impl
, gmx::GaussTransform3D::Impl
, gmx::AnalysisDataLifetimeModule::Impl
, gmx::CommandLineParser::Impl
, gmx::GaussTransform3D::Impl
, gmx::Update::Impl
, gmx::DomainDecompositionBuilder::Impl
, gmx::UpdateConstrainGpu::Impl
, gmx::VirtualSitesHandler::Impl
, gmx::test::MockAnalysisDataModule::Impl
, gmx::PmeCoordinateReceiverGpu::Impl
, gmx::TextTableFormatter::Impl
, gmx::HelpManager::Impl
, gmx::PmeForceSenderGpu::Impl
, gmx::HelpLinks::Impl
, gmx::HelpWriterContext::Impl
- includeAll()
: gmx::AnalysisHistogramSettingsInitializer
, gmx::AnalysisHistogramSettings
- includeCurrentDir()
: gmx::DataFileOptions
- includeDataset()
: gmx::test::AbstractTrajectoryAnalysisModuleTestFixture
- InconsistentInputError()
: gmx::InconsistentInputError
- increaseWeightSumIteration()
: gmx::PointState
- increasing()
: gmx::ExponentialMovingAverage
- incrementNumUpdates()
: gmx::HistogramSize
- indent()
: gmx::RstParagraphIterator
, gmx::TextLineWrapperSettings
- index()
: gmx::AnalysisDataFrameHeader
, gmx::test::AnalysisDataTestInputPointSet
, gmx::test::AnalysisDataTestInputFrame
, gmx::Site
- indexed()
: gmx::AnalysisNeighborhoodPositions
- IndexGroupsAndNames()
: gmx::IndexGroupsAndNames
- indices()
: gmx::IndexGroupsAndNames
- info()
: gmx::internal::OptionSectionImpl
- inInitialStage()
: gmx::BiasState
, gmx::HistogramSize
- init()
: gmx::AnalysisDataFrameLocalData< ValueType >
, gmx::internal::BasicHistogramImpl
, gmx::AbstractAverageHistogram
, gmx::AnalysisDataSimpleHistogramModule
, gmx::AnalysisDataWeightedHistogramModule
, gmx::AnalysisDataBinAverageModule
, gmx::CommandLineHelpModule
, gmx::ICommandLineModule
, gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule
, gmx::ICommandLineOptionsModule
, gmx::MimicCommunicator
, gmx::UnionFinder
, anonymous_namespace{legacymodules.cpp}::ObsoleteToolModule
- initAfterFirstFrame()
: gmx::TrajectoryAnalysisModule
, gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf
- initAnalysis()
: gmx::TrajectoryAnalysisModule
, gmx::analysismodules::anonymous_namespace{freevolume.cpp}::FreeVolume
, gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistance
, gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf
, gmx::analysismodules::anonymous_namespace{sasa.cpp}::Sasa
, AnalysisTemplate
- initAtoms()
: gmx::test::TopologyManager
- initBehavior()
: gmx::IOptionsBehavior
, gmx::TimeUnitBehavior
, gmx::SelectionOptionBehavior
- initConverter()
: gmx::OptionStorageTemplateSimple< T >
- initCoveredFraction()
: gmx::internal::SelectionData
, gmx::Selection
- initDevice()
: gmx::GpuTaskAssignments
- initEvaluation()
: gmx::PositionCalculationCollection
- initFirstFrame()
: gmx::TrajectoryAnalysisRunnerCommon
- initForceProviders()
: gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting
, gmx::anonymous_namespace{electricfield.cpp}::ElectricField
, gmx::MDModules
, gmx::IMDModule
, gmx::RestraintMDModule
, gmx::RestraintMDModuleImpl
- initFrame()
: gmx::PositionCalculationCollection
, gmx::TrajectoryAnalysisRunnerCommon
- initFrameIndexGroup()
: gmx::TrajectoryAnalysisRunnerCommon
- initFromArray()
: gmx::test::CommandLine
- initGridPointState()
: gmx::BiasState
- initHistoryFromState()
: gmx::Awh
, gmx::Bias
, gmx::BiasState
- initializeAwhOutputFile()
: OutputFile
- initialized()
: gmx::test::TestReferenceChecker::Impl
- initializeEnergyHistory()
: gmx::EnergyData
- initializeFrictionOutputFile()
: OutputFile
- initializeMassesAndCharges()
: gmx::internal::SelectionData
- initializeMembed()
: gmx::MembedHolder
- initManager()
: gmx::test::CommandLineModuleManagerTestBase
- initMdpOptions()
: gmx::DensityFittingOptions
, gmx::anonymous_namespace{electricfield.cpp}::ElectricFieldDimension
, gmx::anonymous_namespace{electricfield.cpp}::ElectricField
, gmx::IMdpOptionProvider
- initMdpTransform()
: gmx::DensityFittingOptions
, gmx::anonymous_namespace{electricfield.cpp}::ElectricField
, gmx::MDModules
, gmx::IMdpOptionProvider
- initMolInfo()
: MoleculeInformation
- initOptions()
: gmx::CommandLineCommonOptionsHolder
, gmx::ICommandLineOptionsModule
, gmx::OutputRequirementOptionDirector
, gmx::SelectionCollection
, gmx::SelectionOptionBehavior
, gmx::SelectionOptionManager
, gmx::TrajectoryAnalysisModule
, gmx::analysismodules::anonymous_namespace{freevolume.cpp}::FreeVolume
, gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistance
, gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf
, gmx::analysismodules::anonymous_namespace{sasa.cpp}::Sasa
, gmx::TrajectoryAnalysisRunnerCommon
, gmx::test::anonymous_namespace{testoptions.cpp}::TestOptionsRegistry
, gmx::test::TestOptionsProvider
, AnalysisTemplate
, gmx::AnalysisDataPlotSettings
- initOriginalIdsToGroup()
: gmx::Selection
- initOutput()
: gmx::DensityFittingOutputProvider
, gmx::anonymous_namespace{electricfield.cpp}::ElectricField
, gmx::IMDOutputProvider
- initPairlistSets()
: nonbonded_verlet_t
- initRefCountArray()
: gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistanceModuleData
- initSearch()
: gmx::AnalysisNeighborhood
- initStorage()
: gmx::RepeatingOptionSectionStorage< T >
, gmx::IOptionSectionStorage
- initTopology()
: gmx::test::TopologyManager
, gmx::TrajectoryAnalysisRunnerCommon
- initWithGroupIndices()
: gmx::MappedUnionFinder
- inputFile()
: gmx::FileNameOption
- inputOutputFile()
: gmx::FileNameOption
- inputStream()
: gmx::test::InteractiveTestHelper
- inSection()
: gmx::OptionsAssigner::Impl
- insert()
: gmx_ga2la_t
, gmx::HashedMap< T >
- insert_or_assign()
: gmx::HashedMap< T >
- insertCalculation()
: gmx::PositionCalculationCollection::Impl
- insertNonlocalGpuDependency()
: nonbonded_verlet_t
- installationPrefix()
: gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext
, gmx::CommandLineProgramContext
, gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext
, gmx::IProgramContext
- InstallationPrefixInfo()
: gmx::InstallationPrefixInfo
- Int64Option()
: gmx::Int64Option
- Int64OptionInfo()
: gmx::Int64OptionInfo
- Int64OptionStorage()
: gmx::Int64OptionStorage
- inTargetRegion()
: gmx::PointState
- integerBins()
: gmx::AnalysisHistogramSettingsInitializer
- IntegerBox()
: gmx::IntegerBox
- IntegerOption()
: gmx::IntegerOption
- IntegerOptionInfo()
: gmx::IntegerOptionInfo
- IntegerOptionStorage()
: gmx::IntegerOptionStorage
- integrate()
: gmx::UpdateConstrainGpu::Impl
- interactionIndex()
: VsiteAtomMapping
- InteractionOfType()
: InteractionOfType
- interactionSelectionAll()
: ListedForces
- InteractiveMD()
: gmx::InteractiveMD
- InteractiveTestHelper()
: gmx::test::InteractiveTestHelper
- InternalError()
: gmx::InternalError
- InvalidInputError()
: gmx::InvalidInputError
- inverseTimeConstant()
: gmx::ExponentialMovingAverage
- inverseTimeScaleFactor()
: gmx::TimeUnitManager
- IonSwapping()
: gmx::IonSwapping
- IOutputAdapter()
: gmx::IOutputAdapter
- is_always_contiguous()
: gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::layout_right::mapping< Extents >
- is_always_strided()
: gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- is_always_unique()
: gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::layout_right::mapping< Extents >
- is_contiguous()
: gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- is_strided()
: gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- is_unique()
: gmx::layout_right::mapping< Extents >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
- isAllocated()
: gmx::AbstractAnalysisArrayData
- isAtRootTopic()
: gmx::HelpManager::Impl
- isAvailable()
: gmx::internal::AnalysisDataStorageFrameData
- isBoolean()
: gmx::AbstractOptionStorage
- isCheckCoveringStep()
: gmx::BiasParams
- isCheckHistogramForAnomaliesStep()
: gmx::BiasParams
- isCheckpointingStep()
: gmx::CheckpointHandler
- isCompletionExport()
: gmx::CommandLineHelpContext
- isContext()
: gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage
- isCoveredFractionDynamic()
: gmx::internal::SelectionData
, gmx::Selection
- isDirectoryOption()
: gmx::FileNameOptionStorage
, gmx::FileNameOptionInfo
- isDouble()
: gmx::test::FloatingPointDifference
- isDynamic()
: gmx::internal::SelectionData
, gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator
, gmx::Selection
- isDynamicPruningStepCpu()
: PairlistSets
, nonbonded_verlet_t
- isDynamicPruningStepGpu()
: PairlistSets
, nonbonded_verlet_t
- isEmpty()
: gmx::OutputAdapterContainer
, gmx::Any
, gmx::MessageStringCollector
- isEnumerated()
: gmx::StringOptionInfo
- isFepLambdaAxis()
: gmx::GridAxis
- isFepLambdaDimension()
: gmx::DimParams
- isFileOpen()
: gmx::AbstractPlotModule
- isFinished()
: gmx::internal::AnalysisDataStorageFrameData
- isHidden()
: gmx::AbstractOptionStorage
, gmx::OptionInfo
- isInitialized()
: gmx::AnalysisDataFrameLocalData< ValueType >
, gmx::TrajectoryAnalysisModuleData::Impl
- isInputCompatible()
: gmx::ModularSimulator
- isInputFile()
: gmx::FileNameOptionStorage
, gmx::FileNameOptionInfo
- isInputOutputFile()
: gmx::FileNameOptionInfo
, gmx::FileNameOptionStorage
- isInRange()
: gmx::Range< typename >
- isInteractive()
: gmx::StandardInputStream
- isLibraryFile()
: gmx::FileNameOptionInfo
, gmx::FileNameOptionStorage
- isMultipoint()
: gmx::AbstractAnalysisData
, gmx::test::AnalysisDataTestInput
, gmx::internal::AnalysisDataStorageImpl
- isNaN()
: gmx::test::FloatingPointDifference
- isNotified()
: gmx::internal::AnalysisDataStorageFrameData
- isNumCoupledConstraintsSupported()
: gmx::UpdateConstrainGpu::Impl
- isOutputFile()
: gmx::FileNameOptionStorage
, gmx::FileNameOptionInfo
- isPeriodic()
: gmx::GridAxis
- isPresent()
: gmx::AnalysisDataValue
- isPullDimension()
: gmx::DimParams
- isRequired()
: gmx::OptionInfo
, gmx::AbstractOptionStorage
- isSampleCoordStep()
: gmx::Bias
, gmx::BiasParams
- isSet()
: gmx::AnalysisDataValue
, gmx::AbstractOptionStorage
, gmx::OptionInfo
, PreprocessingBondAtomType
, PreprocessingAtomTypes
- isStarted()
: gmx::internal::AnalysisDataStorageFrameData
- issueFatalError()
: gmx::ImdSession::Impl
- isThisSystem()
: gmx::HardwareTopology
- isTime()
: gmx::DoubleOptionInfo
, gmx::FloatOptionStorage
, gmx::DoubleOptionStorage
, gmx::FloatOptionInfo
- isTrajectoryOption()
: gmx::FileNameOptionInfo
, gmx::FileNameOptionStorage
- isTrivial()
: gmx::TextLineWrapper
- isType()
: gmx::OptionInfo
, gmx::Any
- isUpdateFreeEnergyStep()
: gmx::BiasParams
- isUpdateTargetStep()
: gmx::BiasParams
- isValid()
: gmx::Selection
, gmx::AnalysisNeighborhoodPair
, DeviceStream
, gmx::test::TestReferenceChecker
, gmx::AnalysisDataFrameHeader
, gmx::AnalysisDataHandle
, gmx::AnalysisDataFrameRef
- isValidType()
: gmx::FileNameOptionStorage
, gmx::FileNameOptionInfo
, gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler
- isVector()
: gmx::AbstractOption
, gmx::AbstractOptionStorage
- isWithin()
: gmx::AnalysisNeighborhoodSearch
, gmx::test::FloatingPointTolerance
- iterator()
: gmx::Range< typename >::iterator