Here is a list of all documented class members with links to the class documentation for each member:
- c -
- c
: t_pargs
, dd_corners_t
, gmx_kernel_timing_data_t
, wallcc_t
, t_nbparam
, gmx::CromerMannParameters
- C
: t_bb
- c1
: t_xpmelmt
- c2
: t_xpmelmt
- c_labelSize
: gmx::CrystallographicLabels
- c_numCorrelationBlocks
: gmx::CorrelationTensor
- c_numEigenRealsPerExperiment
: t_oriresdata
- c_numPointsPerSigma
: gmx::BiasGrid
- c_nvshmemThreadsPerBlock
: gmx::nvshmemHaloExchangeOps
- c_rf
: gmx::cl_nbparam_params
, gmx::NBParamGpu
- c_scopeCutoff
: gmx::BiasGrid
- CA
: t_bb
- cACC
: t_mdatoms
- cAcceleration_
: gmx::Update::Impl
- caches
: gmx::HardwareTopology::Machine
- calcColumnIndices()
: gmx::Grid
- calcConvolvedBias()
: gmx::Bias
, gmx::BiasState
- calcConvolvedForce()
: gmx::BiasState
- calcForceAndUpdateBias()
: gmx::Bias
- calculate()
: ListedForces
, gmx::SurfaceAreaCalculator
, gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite
- calculateForces()
: gmx::anonymous_namespace{electricfield.cpp}::ElectricField
, gmx::NNPotForceProvider
, gmx::PlumedForceProvider
, gmx::QMMMForceProvider
, gmx::IForceProvider
, gmx::ForceProviders
, gmx::RestraintForceProvider
, gmx::ColvarsForceProvider
, gmx::DensityFittingForceProvider
- calculateIntegral()
: gmx::NoseHooverGroup
- calculateIntegralIfNeeded()
: gmx::MttkData
- calculationIntervalInSteps_
: gmx::DensityFittingParameters
- calcUmbrellaForceAndPotential()
: gmx::BiasState
- calcVirial
: gmx::test::anonymous_namespace{settle.cpp}::SettleTestParameters
- callback
: gmx::test::anonymous_namespace{textreader.cpp}::TextReaderTestParams
- CallbackAfterReduction
: gmx::ObservablesReducerBuilder
- callbackAfterReduction
: gmx::ObservablesReducerBuilder::Impl::Subscription
, gmx::test::anonymous_namespace{observablesreducer.cpp}::Subscriber
- CallbackFromBuilder
: gmx::ObservablesReducerBuilder
- callbackFromBuilder
: gmx::ObservablesReducerBuilder::Impl::Subscription
- callbacksAfterReduction_
: gmx::ObservablesReducer::Impl
- callbackToRequireReduction
: gmx::Lincs
- CallbackToRequireReduction
: gmx::ObservablesReducerBuilder
- callbackToRequireReduction_
: gmx::LocalTopologyChecker::Impl
, gmx::test::anonymous_namespace{observablesreducer.cpp}::Subscriber
, ExclusionChecker::Impl
- callbackWhenBufferAvailable()
: gmx::test::anonymous_namespace{observablesreducer.cpp}::Subscriber
- callGrompp()
: gmx::test::SimulationRunner
- callGromppOnThisRank()
: gmx::test::SimulationRunner
- callMdrun()
: gmx::test::SimulationRunner
- callNmeig()
: gmx::test::SimulationRunner
- canUseGpuAwareMpi
: gmx::DevelopmentFeatureFlags
- capacity()
: gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
- captureThisStep()
: gmx::MdGpuGraph::Impl
- cartSetup_
: gmx::DomainDecompositionBuilder::Impl
- cast()
: gmx::Any
- castRef()
: gmx::Any
- cBooleanNodeName
: gmx::test::TestReferenceChecker::Impl
- cc_
: gmx::SearchCycleCounting
- cCharNodeName
: gmx::test::TestReferenceChecker::Impl
- cdata
: gmx::SelectionTreeElement
- cell
: gmx_ga2la_t::Entry
, gmx::cellInfo
- cellAngles_
: gmx::MrcDensityMapHeader
- cellLength_
: gmx::MrcDensityMapHeader
- cellOffset()
: gmx::Grid
- cellRange
: gmx::DomainCommBackward::ColumnInfo
- cells
: gmx::GridSetData
, gmx::GridSet
- cellSize
: gmx::cellInfo
, gmx::GridDimensions
- cellSizeAlloc
: gmx::cellInfo
- cellSizesBuffer
: AtomDistribution
- cellSizeX
: gmx::DomdecOptions
- cellSizeY
: gmx::DomdecOptions
- cellSizeZ
: gmx::DomdecOptions
- cENER
: t_mdatoms
- center
: methoddata_insolidangle
, swap_group
- centerOfMass()
: gmx::Site
- cfrac
: methoddata_insolidangle
- cFREEZE
: t_mdatoms
- cFREEZE_
: gmx::Update::Impl
- cg_gl
: t_state
- cg_p
: t_state
- cgnr
: PreprocessResidue
, MoleculePatch
- cgrp
: gmx::SelectionTreeElement
- changeNumAtoms()
: t_state
- changePairlistRadii()
: gmx::nonbonded_verlet_t
, gmx::PairlistSets
- changeReferenceTemperatureCallback()
: gmx::ModularSimulatorAlgorithmBuilderHelper
- changeTprNsteps()
: gmx::test::SimulationRunner
- channel_label
: swap_group
- charge()
: gmx::SelectionPosition
- chargeA
: gmx_pme_pp
, t_mdatoms
- chargeB
: t_mdatoms
- charges
: gmx::test::anonymous_namespace{pmegathertest.cpp}::TestSystem
, gmx::BenchmarkSystem
, gmx::test::TestSystem
, gmx::Selection
- check()
: gmx::test::anonymous_namespace{constr.cpp}::ConstraintsVerifier
, ExclusionChecker::Impl
- check_atom_id()
: gmx::ColvarProxyGromacs
- checkAbilityDependencies()
: gmx::IOutputAdapter
, gmx::OutputSelector
, gmx::SetAtoms
, gmx::SetBox
, gmx::SetForces
, gmx::SetPrecision
, gmx::SetStartTime
, gmx::SetTimeStep
, gmx::SetVelocities
- checkAny()
: gmx::test::TestReferenceChecker
- checkBlocka()
: gmx::test::anonymous_namespace{indexutil.cpp}::IndexBlockTest
- checkBoolean()
: gmx::test::TestReferenceChecker
- checkChar()
: gmx::test::TestReferenceChecker
- checkCompound()
: gmx::test::TestReferenceChecker
- checkConstrainsSatisfied()
: gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- checkDouble()
: gmx::test::TestReferenceChecker
- checkEdrFile()
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- checkEmptySequence()
: gmx::test::TestReferenceChecker
- checkEnergies()
: gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest
- checkEnergyCaluclationFrequency()
: gmx::DensityFittingOptions
- checkEnergyGroups()
: gmx::TestParticleInsertion
- checkEntry()
: gmx::test::TestReferenceChecker::Impl
- checker()
: gmx::test::StringTestBase
- checker_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
, gmx::test::anonymous_namespace{langevin.cpp}::LangevinTest
, gmx::test::anonymous_namespace{leapfrog.cpp}::LeapFrogTest
, gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- checkFile()
: gmx::test::IFileMatcher
- checkFileContents()
: gmx::test::StringTestBase
- checkFinalPositions()
: gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- checkFinalVelocities()
: gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- checkFloat()
: gmx::test::TestReferenceChecker
- checkIndexGroup()
: gmx::SelectionTreeElement
- checkInt32()
: gmx::test::TestReferenceChecker
- checkInt64()
: gmx::test::TestReferenceChecker
- checkInteger()
: gmx::test::TestReferenceChecker
- checkKeyValueTreeObject()
: gmx::test::TestReferenceChecker
- checkKeyValueTreeValue()
: gmx::test::TestReferenceChecker
- checkMdrun()
: gmx::test::DensityFittingTest
, gmx::test::BondedInteractionsTest
- checkModuleProperties()
: gmx::AnalysisDataModuleManager::Impl
- checkModuleProperty()
: gmx::AnalysisDataModuleManager::Impl
- checkMultiBodyDistance
: gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo
- checkOutputFiles()
: gmx::test::CommandLineTestHelper
, gmx::test::CommandLineTestBase
- checkpointData()
: gmx::ReadCheckpointDataHolder
, gmx::WriteCheckpointDataHolder
- checkpointedData_
: gmx::MDModulesCheckpointReadingDataOnMain
- CheckpointError()
: gmx::CheckpointError
- CheckpointHandler()
: gmx::CheckpointHandler
- CheckpointHelper()
: gmx::CheckpointHelper
- CheckpointHelperBuilder()
: gmx::CheckpointHelperBuilder
- checkpointID()
: gmx::FreeEnergyPerturbationData
, gmx::StatePropagatorData
- checkpointingNotifier_
: gmx::MDModulesNotifiers
- checkpointOptions
: gmx::MdrunOptions
- checkPresent()
: gmx::test::TestReferenceChecker
- checkReal()
: gmx::test::TestReferenceChecker
- checkRealFromString()
: gmx::test::TestReferenceChecker
- checkRedirectedFiles()
: gmx::test::TestFileOutputRedirector
- checkRedirectedOutput()
: gmx::test::CommandLineModuleManagerTestBase
- checkReferencePoints()
: gmx::test::MockAnalysisDataModule::Impl
- checkRerun()
: gmx::test::MimicTest
- checkSequence()
: gmx::test::TestReferenceChecker
- checkSequenceArray()
: gmx::test::TestReferenceChecker
- checkSequenceCompound()
: gmx::test::TestReferenceChecker
- checkSession()
: gmx::test::InteractiveTestHelper
- checkStream()
: gmx::test::anonymous_namespace{msd.cpp}::MsdMatcher
, gmx::test::ITextBlockMatcher
- checkString()
: gmx::test::TestReferenceChecker
- checkText()
: gmx::test::StringTestBase
- checkTextBlock()
: gmx::test::TestReferenceChecker
- checkTopologyInfo()
: gmx::test::NNPotTopologyPreprocessorTest
- checkTwoBodyDistance
: gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo
- checkUChar()
: gmx::test::TestReferenceChecker
- checkUInt32()
: gmx::test::TestReferenceChecker
- checkUInt64()
: gmx::test::TestReferenceChecker
- checkUnsortedAtoms()
: gmx::SelectionTreeElement
- checkUnusedEntries()
: gmx::test::TestReferenceChecker
- checkValue()
: gmx::test::TestReferenceChecker
- checkVector()
: gmx::test::TestReferenceChecker
- checkVirial()
: gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- checkVirialSymmetric()
: gmx::test::anonymous_namespace{settle.cpp}::SettleTest
- child
: gmx::SelectionTreeElement
, gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage
- ci
: gmx::AnalysisDataDisplacementModule::Impl
, gmx::nbnxn_ci_t
, gmx::NbnxnPairlistCpu
- cIdAttrName
: gmx::test::TestReferenceChecker::Impl
- cInt32NodeName
: gmx::test::TestReferenceChecker::Impl
- cInt64NodeName
: gmx::test::TestReferenceChecker::Impl
- cIntegerNodeName
: gmx::test::TestReferenceChecker::Impl
- ciOuter
: gmx::NbnxnPairlistCpu
- cj
: gmx::nbnxn_cj_t
, gmx::nbnxn_cj_packed_t
, gmx::NbnxnPairlistCpu
, gmx::NbnxmPairlistCpuWork
, gmx::JClusterList
, gmx::PackedJClusterList
- cj_ind_end
: gmx::nbnxn_ci_t
- cj_ind_start
: gmx::nbnxn_ci_t
- cjOuter
: gmx::NbnxnPairlistCpu
- cjPacked
: gmx::GpuPairlist
- cjPackedBegin
: gmx::nbnxn_sci_t
- cjPackedEnd
: gmx::nbnxn_sci_t
- classId
: gmx::HardwareTopology::Device
- clear()
: gmx::HashedMap< T >
, gmx::PaddedVector< T, Allocator >
, gmx::UpdateGroupsCog
, SystemMomentum
, t_nblist
, gmx::TextTableFormatter
, gmx::OptionValueStoreNull< T >
, gmx::RestraintManager::Impl
, gmx::RestraintManager
, gmx::FixedCapacityVector< typename, size_t >
, gmx::MessageStringCollector
, gmx::AnalysisDataValue
, gmx::internal::EnumIndexStore< EnumType >
, gmx::IOptionValueStore< T >
, gmx::RangePartitioning
, InteractionList
, InteractionDefinitions
, gmx::FlagsTemplate< FlagType >
, gmx::ListOfLists< typename >
, gmx::AnalysisDataFrameLocalDataSetHandle< ValueType >
, gmx::AnalysisDataFrameLocalDataHandle< ValueType >
, gmx::DomainCommBackward
, gmx_ga2la_t
- clearAll()
: gmx::FlagsTemplate< FlagType >
- clearAndResizeHashTable()
: gmx::HashedMap< T >
- clearEnergies()
: gmx::ListedForcesGpu::Impl
, gmx::EnergyAccumulator< false, true >
- clearEnergiesAndSetEnergyGroupsForJClusters()
: gmx::EnergyAccumulator< true, true >
- clearFlag()
: gmx::AbstractOptionStorage
, gmx::AbstractOption
- clearForceBuffer()
: gmx::nbnxn_atomdata_t
- clearForcesAndEnergies()
: gmx::ThreadForceBuffer< ForceBufferElementType >
- clearFrame()
: gmx::internal::AnalysisDataStorageFrameData
- clearGpuFBufferEarly
: gmx::StepWorkload
- clearHist()
: gmx::ComputeDebyeScattering
- clearIfNeeded()
: ChainIdFiller
- clearSet()
: gmx::AbstractOptionStorage
, gmx::OptionStorageTemplate< T >
- clearSymbolTable()
: gmx::SelectionCollection::Impl
- ClfftInitializer()
: gmx::ClfftInitializer
- ClHandle()
: gmx::ClHandle< cl_type >
- Client
: gmx::NeighborSearchSignaller
, gmx::LastStepSignaller
, gmx::LoggingSignaller
, gmx::TrajectorySignaller
, gmx::EnergySignaller
- clientID()
: gmx::EnergyData::Element
, gmx::ExpandedEnsembleElement
, gmx::FirstOrderPressureCoupling
, gmx::FreeEnergyPerturbationData::Element
, gmx::ICheckpointHelperClient
, gmx::MttkData
, gmx::NoseHooverChainsData
, gmx::ParrinelloRahmanBarostat
, gmx::PullElement
, gmx::StatePropagatorData::Element
, gmx::VelocityScalingTemperatureCoupling
- clientsocket
: gmx::ImdSession::Impl
- clone()
: gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct
, gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityRelativeEntropy
, gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation
, gmx::AbstractAverageHistogram
- cloneOnSpawnedThread()
: gmx::Mdrunner
- close()
: gmx::StandardInputStream
, gmx::TextInputFile
, gmx::TextOutputFile
, gmx::StringOutputStream
, gmx::StringInputStream
, gmx::TextReader
, gmx::TextInputStream
, gmx::TextOutputStream
, gmx::TextWriter
- closeAfterForceComputationCpu()
: DDBalanceRegionHandler
- closeAfterForceComputationGpu()
: DDBalanceRegionHandler
- closeTimingRegion()
: GpuRegionTimerWrapper< GpuRegionTimerImpl >
, GpuRegionTimerImpl
- clusterFlags()
: gmx::Grid
- clusterIsPerturbed()
: gmx::Grid
- CMainCommandLineModule()
: gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule
- CMainFunction
: gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule
, gmx::CommandLineModuleManager
- cmap
: InteractionsOfType
, gmx_cmapdata_t
- cmap_grid
: gmx_ffparams_t
, InteractionDefinitions
- cmapAtomTypes
: InteractionsOfType
- cmapdata
: gmx_cmap_t
- cmapGridSpacing_
: InteractionsOfType
- cmapResTypes_
: InteractionsOfType
- cmpop
: t_methoddata_compare
- cmpt
: t_methoddata_compare
- cObjectType
: gmx::test::TestReferenceChecker::Impl
- code
: t_mapping
- coefficientsCapacity
: PmeGpuSpecific
- coefficientsSize
: PmeGpuSpecific
- cog()
: gmx::UpdateGroupsCog
- cogForAtom()
: gmx::UpdateGroupsCog
- cogIndex()
: gmx::UpdateGroupsCog
- cogIsFillerParticle()
: gmx::UpdateGroupsCog
- coll
: gmx_ana_poscalc_t
- collection_
: gmx::SelectionOptionManager::Impl
- collectiveIndex()
: gmx::LocalAtomSet
- columnCount()
: gmx::AnalysisDataStorageFrame
, gmx::AnalysisDataFrameAverager
, gmx::test::AnalysisDataTestInput
, gmx::AbstractAnalysisData
, gmx::AnalysisDataPointSetRef
- columnCounts_
: gmx::AbstractAnalysisData::Impl
- columnData()
: gmx::TextTableFormatter::Impl
- ColumnData()
: gmx::TextTableFormatter::Impl::ColumnData
- ColumnList
: gmx::TextTableFormatter::Impl
- columnRowSectionStart_
: gmx::MrcDensityMapHeader
- columnRowSectionToXyz_
: gmx::MrcDensityMapHeader
- columns_
: gmx::TextTableFormatter::Impl
- columnsReceived()
: gmx::DomainCommForward
- columnsToSend()
: gmx::DomainCommBackward
- ColvarProxyGromacs()
: gmx::ColvarProxyGromacs
- colvarsAtomCoords()
: gmx::ColvarsOptions
- colvarsConfigContent()
: gmx::ColvarsOptions
- colvarsEnsTemp()
: gmx::ColvarsOptions
- colvarsFileName()
: gmx::ColvarsOptions
- ColvarsForceProvider()
: gmx::ColvarsForceProvider
- colvarsInputFiles()
: gmx::ColvarsOptions
- ColvarsMDModule()
: gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule
, gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule
- colvarsOutputPrefix()
: gmx::ColvarsOptions
- ColvarsPreProcessor()
: gmx::ColvarsPreProcessor
- colvarsSeed()
: gmx::ColvarsOptions
- colvarStateFile_
: gmx::ColvarsForceProviderState
- com()
: ComSumContents
- combineMtsForcesBeforeHaloExchange
: gmx::StepWorkload
- comm()
: gmx::ColvarsSimulationsParameters
- comm_
: gmx::PhysicalNodeCommunicator
- commandLine()
: gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext
- CommandLine()
: gmx::test::CommandLine
- commandLine()
: gmx::CommandLineProgramContext
, gmx::test::CommandLineTestBase
, gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext
, gmx::IProgramContext
- commandLineForMdrun_
: gmx::test::DensityFittingTest
- CommandLineHelpContext()
: gmx::CommandLineHelpContext
- CommandLineHelpModule()
: gmx::CommandLineHelpModule
- CommandLineHelpWriter()
: gmx::CommandLineHelpWriter
- CommandLineModuleGroup()
: gmx::CommandLineModuleGroup
- CommandLineModuleGroupData()
: gmx::CommandLineModuleGroupData
- CommandLineModuleManager()
: gmx::CommandLineModuleManager
- CommandLineParser()
: gmx::CommandLineParser
- CommandLineProgramContext()
: gmx::CommandLineProgramContext
- CommandLineTestHelper()
: gmx::test::CommandLineTestHelper
- CommandsHelpTopic()
: gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::CommandsHelpTopic
- commentChar_
: gmx::TextReader::Impl
- commGuard_
: gmx::PhysicalNodeCommunicator
- commitValues()
: gmx::OptionStorageTemplate< T >
- common
: PmeGpu
- commRec_
: gmx::SimulatorEnv
- communicateHaloCoordinates()
: gmx::GpuHaloExchange::Impl
, gmx::GpuHaloExchange
- communicateHaloForces()
: gmx::GpuHaloExchange
, gmx::GpuHaloExchange::Impl
- communicationBuffer()
: gmx::ObservablesReducer
- communicationBuffer_
: gmx::ObservablesReducer::Impl
, gmx::test::anonymous_namespace{observablesreducer.cpp}::Subscriber
- communicator_
: gmx::MDModulesCheckpointReadingBroadcast
- comp
: swap_group
- comp_from
: swap_group
- comp_now
: swap_group
- compareAllFramePairs()
: gmx::test::anonymous_namespace{exactcontinuation.cpp}::ContinuationFramePairManager< FrameReader >
, gmx::test::FramePairManager< FrameReader >
- compareAllFrames()
: gmx::test::MaxNumFrames
- compareFiles()
: gmx::test::anonymous_namespace{extract_cluster.cpp}::ExtractClusterModuleTest
- compareRootEntry_
: gmx::test::internal::TestReferenceDataImpl
, gmx::test::TestReferenceChecker::Impl
- compareto
: gmx_help_make_index_group
- compareVectorEq()
: gmx::test::SimdBaseTest
- compareVectorRealUlp()
: gmx::test::SimdBaseTest
- comparisonSquaredSum
: gmx::anonymous_namespace{densityfit.cpp}::CrossCorrelationEvaluationHelperValues
- compile()
: gmx::SelectionCollection
- Compiled
: gmx::SelectionCollection::Impl
- compileSelection
: gmx::SelectionCollection
- completeDefaultFileName()
: gmx::FileNameOptionManager
- completeFileName()
: gmx::FileNameOptionManager
- completeReceiveF()
: gmx::HaloExchange
- completeReceiveX()
: gmx::HaloExchange
- completeSendF()
: gmx::HaloExchange
- completeSendX()
: gmx::HaloExchange
- completionWriter_
: gmx::CommandLineHelpContext::Impl
- complexGrid_
: gmx::Gpu3dFft::Impl
- complexGridSize
: PmeGpuSpecific
, PmeGpuGridParams
, SolveKernelParams
- complexGridSizePadded
: PmeGpuGridParams
, SolveKernelParams
- CompositeSimulatorElement()
: gmx::CompositeSimulatorElement
- compressed_symmetric
: gmx_sparsematrix
- computeAverageCoveredFraction()
: gmx::internal::SelectionData
- computeDhdl
: gmx::StepWorkload
- computeDirectPairDistancesHistogram()
: gmx::ComputeDebyeScattering
- computeEnergy
: gmx::StepWorkload
- computeForces
: gmx::StepWorkload
- ComputeGlobalsElement()
: gmx::ComputeGlobalsElement< algorithm >
- computeIntensity()
: gmx::ComputeDebyeScattering
- computeIntensityZeroQ()
: gmx::ComputeDebyeScattering
- computeListedForces
: gmx::StepWorkload
- computeMonteCarloPairDistancesHistogram()
: gmx::ComputeDebyeScattering
- computeMuTot
: gmx::SimulationWorkload
- computeNonbonded
: gmx::SimulationWorkload
- computeNonbondedAtMtsLevel1
: gmx::SimulationWorkload
- computeNonbondedForces
: gmx::StepWorkload
- computePmeOnSeparateRank
: gmx::StepWorkload
- computeSlowForces
: gmx::StepWorkload
- computeStorageLocation()
: gmx::internal::AnalysisDataStorageImpl
- computeVirial
: gmx::StepWorkload
, gmx::ForceWithShiftForces
- computeVirial_
: gmx::ForceWithVirial
- computeVirialAndEnergy
: gmx::NbnxmKernelBenchOptions
- con_index
: gmx::Lincs
- conditionSatisfied()
: gmx::test::anonymous_namespace{threadaffinity_mpi.cpp}::RequireEvenRankCountWithAtLeastFourRanks
, gmx::test::AllowAnyRankCount
, gmx::test::RequireRankCount< requiredNumRanks >
, gmx::test::RequireMinimumRankCount< minimumNumRanks >
- connectWithMatchingPropagator()
: gmx::ParrinelloRahmanBarostat
, gmx::VelocityScalingTemperatureCoupling
- connectWithPropagator()
: gmx::VRescaleTemperatureCoupling
, gmx::NoseHooverChainsElement
, gmx::ITemperatureCouplingImpl
, gmx::BerendsenTemperatureCoupling
, gmx::NoseHooverTemperatureCoupling
- consoleOptionsFormatter()
: gmx::HelpWriterContext::Impl::SharedState
- const_iterator
: gmx::ArrayRefWithPadding< typename >
, gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
- const_pointer
: gmx::ArrayRefWithPadding< typename >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
- const_reference
: gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
- const_reverse_iterator
: gmx::ArrayRef< typename >
, gmx::FixedCapacityVector< typename, size_t >
- const_view_type
: gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
- constantEnsembleTemperature_
: gmx::EnsembleTemperature
- constants
: PmeGpuKernelParamsBase
- constArrayRefFromArray()
: gmx::ArrayRef< typename >
- constArrayRefWithPadding()
: gmx::PaddedVector< T, Allocator >
, gmx::ArrayRefWithPadding< typename >
- constBox()
: gmx::StatePropagatorData
- constEfl
: anonymous_namespace{edsam.cpp}::t_edflood
- constForcesView()
: gmx::StatePropagatorData
- constLambdaView()
: gmx::FreeEnergyPerturbationData
- constPositionsView()
: gmx::StatePropagatorData
- constPreviousBox()
: gmx::StatePropagatorData
- constPreviousPositionsView()
: gmx::StatePropagatorData
- constr
: anonymous_namespace{minimize.cpp}::EnergyEvaluator
, gmx::ConstraintsParam
- constr_
: gmx::LegacySimulatorData
- constraint_distance_squared
: gmx::shakedata
- constraintCommunicationRange
: gmx::DomdecOptions
- constraintRmsDeviation
: gmx::Lincs
- constraints_
: gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- ConstraintsElement()
: gmx::ConstraintsElement< variable >
- ConstraintsParam()
: gmx::ConstraintsParam
- constraintVirial()
: gmx::EnergyData
- construct()
: gmx::PairlistSets
, gmx::DefaultInitializationAllocator< T, A >
, gmx::VirtualSitesHandler
, gmx::VirtualSitesHandler::Impl
- constructingAtomIdx
: gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite
- constructLocalAtomSet()
: gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting
- constructPairlist()
: gmx::nonbonded_verlet_t
- constructPairlists()
: gmx::PairlistSet
- constVelocitiesView()
: gmx::StatePropagatorData
- constView()
: gmx::MrcDensityMapOfFloatReader
, gmx::GaussTransform3D
- contains()
: gmx::test::CommandLine
- containsGroupName()
: gmx::IndexGroupsAndNames
- context()
: gmx::DeviceStreamManager
- context_
: gmx::DeviceStreamManager::Impl
- ContinuationFramePairManager()
: gmx::test::anonymous_namespace{exactcontinuation.cpp}::ContinuationFramePairManager< FrameReader >
- convert()
: gmx::OptionValueConverterSimple< OutType >
- convertCoordinates()
: gmx::nonbonded_verlet_t
- convertCoordinatesGpu()
: gmx::nonbonded_verlet_t
- ConverterType
: gmx::OptionStorageTemplateSimple< T >
- convertFrame()
: gmx::IFrameConverter
, gmx::ProcessFrameConversion
- convertKernel()
: GridConverter< pmeToFft >
- convertOptionValue()
: gmx::SelectionOptionManager
- convertValue()
: gmx::OptionStorageTemplate< T >
, gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage
, gmx::AbstractOptionStorage
- convolveForce
: gmx::BiasParams
- coord_unit
: t_pullcoord
- CoordData()
: gmx::CorrelationBlockData::CoordData
- coordData()
: gmx::CorrelationBlockData
- coordinate_
: gmx::RealFunctionvalueAtCoordinate
, gmx::GaussianSpreadKernelParameters::PositionAndAmplitude
- coordinateManager_
: gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData
- coordinates()
: gmx::Selection
, gmx::test::anonymous_namespace{pmegathertest.cpp}::TestSystem
, gmx::BenchmarkSystem
, gmx::test::TestSystem
- coordinates_
: gmx::test::FrictionMetricTest
, gmx::OptimisationResult
, gmx::test::BiasTest
- coordinatesComparison
: gmx::test::TrajectoryFrameMatchSettings
- coordsel
: UmbrellaOptions
- coordsendbuf
: gmx::ImdSession::Impl
- CoordState()
: gmx::CoordState
- coordState()
: gmx::BiasState
- coordValue
: gmx::GridPoint
, gmx::CoordState
- copyAllOutputs
: PmeGpuSettings
- copyAtoms()
: gmx::TopologyInformation
- copyContents()
: gmx::AbstractAnalysisArrayData
- copyright()
: gmx::BinaryInformationSettings
- copyToLegacySymtab()
: StringTable
- copyToMDForces()
: gmx::ImdSession::Impl
- copyValues()
: gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter
- core_pinning_offset
: gmx_hw_opt_t
- core_pinning_stride
: gmx_hw_opt_t
- coreBits
: gmx::anonymous_namespace{cpuinfo.cpp}::ApicIdLayout
- coreIdInPackage
: gmx::CpuInfo::LogicalProcessor
- coreRankInPackage
: gmx::HardwareTopology::LogicalProcessor
- cores
: gmx::HardwareTopology::Package
- cORF
: t_mdatoms
- cornersDiffer
: gmx::anonymous_namespace{domainpaircomm.cpp}::ZoneCorners
- correctVirial()
: DispersionCorrection::Correction
- CorrelationBlockData()
: gmx::CorrelationBlockData
- CorrelationGrid()
: gmx::CorrelationGrid
- correlationGrid_
: gmx::test::FrictionMetricTest
- correlationIntegral()
: gmx::CorrelationBlockData
- CorrelationTensor()
: gmx::CorrelationTensor
- coulomb_tab
: gmx::NBParamGpu
- coulomb_tab_scale
: gmx::cl_nbparam_params
, gmx::NBParamGpu
- coulomb_tab_texobj
: gmx::NBParamGpu
- coulombKernelType
: gmx::test::anonymous_namespace{kernel_test.cpp}::KernelInputParameters
- coulombType
: gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions
, gmx::NbnxmKernelBenchOptions
- count()
: gmx_ana_pos_t
- Count
: gmx::SelectionCollection::Impl
- count
: pme_setup_t
- Count
: ListedForces
- count()
: gmx::SelectionOptionManager::Impl::SelectionRequest
, gmx::nbnxn_cycle_t
- countArray_
: gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistanceModuleData
- counter_type
: gmx::ThreeFry2x64General< rounds, internalCounterBits >
- countRestraints()
: gmx::RestraintManager
- couplingTime
: gmx::TemperatureCouplingData
- couplingTimeStep
: gmx::TemperatureCouplingData
- covariance
: gmx::anonymous_namespace{densityfit.cpp}::CrossCorrelationEvaluationHelperValues
- coveredFraction()
: gmx::Selection
- coverRadius()
: gmx::BiasParams
- covers()
: gmx::BiasGrid
- cp0
: gmx::PairsearchWork
, gmx::NbnxnPairlistCpu
, gmx::NbnxmPairlistCpuWork
- cp1
: gmx::NbnxnPairlistCpu
, gmx::NbnxmPairlistCpuWork
, gmx::PairsearchWork
- Cprev
: t_bb
- cpuLimit()
: gmx::HardwareTopology
- cpuLists()
: gmx::PairlistSet
- cr
: anonymous_namespace{minimize.cpp}::EnergyEvaluator
- cr0
: dd_corners_t
- cr1
: dd_corners_t
- cr_
: gmx::NNPotParameters
, gmx::ForceProviderInput
, ExclusionChecker::Impl
, gmx::ImdSession::Impl
, gmx::DomainDecompositionBuilder::Impl
, gmx::LegacySimulatorData
, gmx::LocalTopologyChecker::Impl
, gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest
- cRealNodeName
: gmx::test::TestReferenceChecker::Impl
- create()
: gmx::anonymous_namespace{cmdlineprogramcontext.cpp}::DefaultExecutableEnvironment
, gmx::SelectionParserParameter
, gmx::DensityFittingModuleInfo
, gmx::Any
, gmx::SelectionParserParameter
, gmx::ConvertTprInfo
, gmx::QMMMModuleInfo
, gmx::RestraintMDModule
, gmx::NonbondedBenchmarkInfo
, gmx::ColvarsModuleInfo
, gmx::NNPotModuleInfo
, gmx::PlumedModuleInfo
- createArray()
: gmx::KeyValueTreeValueBuilder
- createCalculation()
: gmx::PositionCalculationCollection::Impl
, gmx::PositionCalculationCollection
- createCalculationFromEnum()
: gmx::PositionCalculationCollection
- createEmpty()
: gmx::SelectionLocation
- createEntry()
: gmx::test::TestReferenceChecker::Impl
- createExecutableGraph()
: gmx::MdGpuGraph::Impl
- createExpr()
: gmx::SelectionParserValue
- createFileMatcher()
: gmx::test::IFileMatcherSettings
, gmx::test::NoContentsMatch
, gmx::test::TextFileMatch
- createFromExpression()
: gmx::SelectionParserParameter
- createInteger()
: gmx::SelectionParserValue
- createIntegerRange()
: gmx::SelectionParserValue
- createList()
: gmx::SelectionParserValue
, gmx::SelectionParserParameter
, gmx::SelectionParserValue
- createMatcher()
: gmx::test::XvgMatch
, gmx::test::FilteringExactTextMatch
, gmx::test::ConfMatch
, gmx::test::NoTextMatch
, gmx::test::ExactTextMatch
, gmx::test::ITextBlockMatcherSettings
- createModule()
: gmx::ICommandLineOptionsModule
, gmx::test::TrajectoryAnalysisModuleTestFixture< ModuleInfo >
, gmx::TrajectoryAnalysisCommandLineRunner
, gmx::test::AbstractTrajectoryAnalysisModuleTestFixture
, gmx::test::anonymous_namespace{extract_cluster.cpp}::ExtractClusterModuleTest
- createModuleHelpTopic()
: gmx::CommandLineHelpModule
- createObject()
: gmx::KeyValueTreeValueBuilder
- createPosition()
: gmx::SelectionParserValue
- createReal()
: gmx::SelectionParserValue
- createRealRange()
: gmx::SelectionParserValue
- createStorage()
: gmx::AbstractOptionSection
, gmx::AbstractOption
- createString()
: gmx::SelectionParserValue
- createTrajectoryFrameWriter
: gmx::TrajectoryFrameWriter
- CreationHelper()
: gmx::Constraints::CreationHelper
- creatorProgramName()
: gmx::H5md
- creatorProgramVersion()
: gmx::H5md
- cross()
: gmx::BasicVector< ValueType >
- CrossCorrelationGradientAtVoxel()
: gmx::anonymous_namespace{densityfit.cpp}::CrossCorrelationGradientAtVoxel
- cSequenceLengthName
: gmx::test::TestReferenceChecker::Impl
- cSequenceType
: gmx::test::TestReferenceChecker::Impl
- cStringNodeName
: gmx::test::TestReferenceChecker::Impl
- csv
: gmx::BenchmarkSystem
- cTC
: t_mdatoms
- cTC_
: gmx::Update::Impl
- cU1
: t_mdatoms
- cU2
: t_mdatoms
- CubicSplineTable()
: gmx::CubicSplineTable
- cUCharNodeName
: gmx::test::TestReferenceChecker::Impl
- cUInt32NodeName
: gmx::test::TestReferenceChecker::Impl
- cUInt64NodeName
: gmx::test::TestReferenceChecker::Impl
- cum
: t_UmbrellaWindow
- current
: PmeGpuKernelParamsBase
- currentFEPState()
: gmx::FreeEnergyPerturbationData
- currentFrame()
: gmx::AnalysisDataStorage
- currentFrame_
: gmx::internal::AnalysisDataHandleImpl
- currentLambdaState
: gmx::test::anonymous_namespace{freeenergyparameters.cpp}::FreeEnergyParameterTestParameters
- currentLifetimes_
: gmx::AnalysisDataLifetimeModule::Impl
- currentLocation
: gmx_sel_lexer_t
- currentOption_
: gmx::OptionsAssigner::Impl
- currentPosition()
: gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator
- currentSection()
: gmx::OptionsAssigner::Impl
- currentSelection()
: gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator
- currentTopic()
: gmx::HelpManager::Impl
- currentTopicAsString()
: gmx::HelpManager::Impl
- currentValueCount_
: gmx::OptionsAssigner::Impl
- currentValuesSelected()
: gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator
- currIndex_
: gmx::AnalysisDataModuleManager::Impl
- currsize
: gmx_sel_mempool_t
- currValues_
: gmx::AnalysisDataDisplacementModule::Impl
- cutoff
: t_methoddata_distance
- cutoffSquaredBonded
: gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo
- cutoffSquaredNonbonded
: gmx::anonymous_namespace{domainpaircomm.cpp}::DistanceCalculationInfo
- cVCM
: t_mdatoms
- cVectorType
: gmx::test::TestReferenceChecker::Impl
- cxy_ind
: gmx::NbnxmGpu
, gmx::Grid
, gmx::NbnxmGpu
- cxy_na
: gmx::NbnxmGpu
, gmx::Grid
, gmx::NbnxmGpu
- cycleCounter
: gmx::PairsearchWork
- cycleCounting_
: gmx::PairSearch
- cycles
: gmx_pme_comm_vir_ene_t
, pme_setup_t
- cyclesLastCpu
: BalanceRegion::Impl
- cyclesOpenCpu
: BalanceRegion::Impl
- cyclesPerPair
: gmx::NbnxmKernelBenchOptions