Here is a list of all documented class members with links to the class documentation for each member:
- d -
- d2a
: gmx::analysismodules::anonymous_namespace{sasa.cpp}::t_conect
- d2b
: gmx::analysismodules::anonymous_namespace{sasa.cpp}::t_conect
- d3
: t_bb
- d4
: t_bb
- d5
: t_bb
- d_cell
: gmx::cellInfo
- d_coefficients
: PmeGpuAtomParams
- d_coordinates
: PmeGpuAtomParams
- d_dtheta
: PmeGpuAtomParams
- d_fftComplexGrid
: PmeGpuGridParams
- d_fftRealGrid
: PmeGpuSpecific
- d_forces
: PmeGpuAtomParams
- d_fractShiftsTable
: PmeGpuGridParams
- d_gridlineIndices
: PmeGpuAtomParams
- d_gridlineIndicesTable
: PmeGpuGridParams
- d_realGrid
: PmeGpuGridParams
- d_recvBuf_
: gmx::NvshmemPpCommData
- d_recvBufCapacity_
: gmx::NvshmemPpCommData
- d_recvBufSize_
: gmx::NvshmemPpCommData
- d_recvGrids
: PmeGpuHaloExchange
- d_rollingPruningPart
: gmx::GpuPairlist
- d_rollingPruningPartAllocationSize
: gmx::GpuPairlist
- d_rollingPruningPartSize
: gmx::GpuPairlist
- d_sendGrids
: PmeGpuHaloExchange
- d_signalReceiverRankF_
: gmx::nvshmemHaloExchangeOps
- d_signalReceiverRankX_
: gmx::nvshmemHaloExchangeOps
- d_signalSenderRankX_
: gmx::nvshmemHaloExchangeOps
- d_splineModuli
: PmeGpuGridParams
- d_theta
: PmeGpuAtomParams
- d_virialAndEnergy
: PmeGpuConstParams
- data
: gmx_enfrot
, t_forcetable
, gmx::AwhEnergyBlock
, gmx::PaddedVector< T, Allocator >
, gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
, gmx::EnumerationArray< EnumType, DataType, ArraySize >
, gmx_sparsematrix
- data_
: gmx::internal::AnalysisDataHandleImpl
, gmx::internal::AnalysisDataStorageImpl
, gmx::MrcDensityMapOfFloatReader::Impl
, gmx::MrcDensityMapOfFloatWriter::Impl
, gmx::GaussTransform3D::Impl
, gmx::test::anonymous_namespace{indexutil.cpp}::IndexBlockTest
- DataFileFinder
: gmx::DataFileOptions
, gmx::DataFileFinder
- DataFileInfo()
: gmx::DataFileInfo
- DataFileOptions()
: gmx::DataFileOptions
- dataFinished()
: gmx::AnalysisDataLifetimeModule
, gmx::AbstractPlotModule
, gmx::AnalysisDataProxy
, gmx::internal::BasicAverageHistogramModule
, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule
, gmx::IAnalysisDataModule
, gmx::AnalysisDataModuleSerial
, gmx::AnalysisDataModuleParallel
, gmx::AnalysisDataAverageModule
, gmx::AnalysisDataFrameAverageModule
, gmx::AnalysisDataDisplacementModule
, gmx::AnalysisDataSimpleHistogramModule
, gmx::AnalysisDataWeightedHistogramModule
, gmx::AnalysisDataBinAverageModule
- dataHandle()
: gmx::TrajectoryAnalysisModuleData
- dataID()
: gmx::MttkData
, gmx::MttkPropagatorConnection
, gmx::NoseHooverChainsData
- dataMode_
: gmx::MrcDensityMapHeader
- DataProperty
: gmx::AnalysisDataModuleManager
- dataPropertyAboutToChange()
: gmx::AnalysisDataModuleManager
- dataSet()
: gmx::AnalysisDataFrameLocalDataHandle< ValueType >
- DatasetContainer
: gmx::TrajectoryAnalysisModule::Impl
- datasetCount()
: gmx::TrajectoryAnalysisModule
- dataSetCount()
: gmx::AnalysisDataFrameLocalDataHandle< ValueType >
, gmx::test::AnalysisDataTestInput
, gmx::AbstractAnalysisData
- datasetFromIndex()
: gmx::TrajectoryAnalysisModule
- datasetFromName()
: gmx::TrajectoryAnalysisModule
- DataSetHandle
: gmx::AnalysisDataFrameLocalDataHandle< ValueType >
, gmx::AnalysisDataFrameLocalData< ValueType >
- dataSetIndex()
: gmx::test::AnalysisDataTestInputPointSet
, gmx::AnalysisDataPointSetRef
- datasetNames()
: gmx::TrajectoryAnalysisModule
- datasetNames_
: gmx::TrajectoryAnalysisModule::Impl
- datasets_
: gmx::TrajectoryAnalysisModule::Impl
- dataStarted()
: gmx::AnalysisDataProxy
, gmx::internal::BasicAverageHistogramModule
, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule
, gmx::IAnalysisDataModule
, gmx::AnalysisDataModuleSerial
, gmx::AnalysisDataAverageModule
, gmx::AnalysisDataFrameAverageModule
, gmx::AnalysisDataDisplacementModule
, gmx::AnalysisDataBinAverageModule
, gmx::AnalysisDataLifetimeModule
, gmx::AbstractPlotModule
- dataStatistics_
: gmx::MrcDensityMapHeader
- DataStorageRequester()
: gmx::test::anonymous_namespace{mock_datamodule.cpp}::DataStorageRequester
- db
: AtomProperty
- dd_nc
: CheckpointHeaderContents
- DDBalanceRegionHandler()
: DDBalanceRegionHandler
- ddBondedChecking
: gmx::DomdecOptions
- ddBondedChecking_
: ReverseTopOptions
- ddbox_
: gmx::DomainDecompositionBuilder::Impl
- ddBoxIsDynamic
: UnitCellInfo
- ddCellIndex_
: gmx::DomainDecompositionBuilder::Impl
- ddDimensions
: DDGridSetup
- ddGridSetup_
: gmx::DomainDecompositionBuilder::Impl
- ddist
: gmx::Lincs
- ddp_count
: t_state
- ddp_count_cg_gl
: t_state
- ddpCountPairSearch
: anonymous_namespace{minimize.cpp}::EnergyEvaluator
- ddRankSetup_
: gmx::DomainDecompositionBuilder::Impl
- ddSettings_
: gmx::DomainDecompositionBuilder::Impl
- ddZone()
: gmx::Grid
- deallocate()
: gmx::Allocator< T, AllocationPolicy >
- deallocateComplexGrid()
: gmx::Gpu3dFft::Impl
- debug
: gmx::MDLogger
- DebugLevel
: gmx::SelectionCollection::Impl
- debugLevel()
: gmx::CommandLineCommonOptionsHolder
- debugLevel_
: gmx::SelectionCollection::Impl
- decay()
: gmx::accessor_basic< ElementType >
- decideIfCheckpointingThisStep()
: gmx::CheckpointHandler
- def
: AtomProperty
- defaultBasename()
: gmx::FileNameOption
- defaultEnergyTermsToCompare()
: gmx::test::EnergyComparison
- defaultEnumIndex()
: gmx::StringOption
- defaultExtension()
: gmx::FileNameOptionStorage
, gmx::FileNameOptionInfo
- defaultFileName_
: gmx::FileNameOptionManager::Impl
- defaultFloatTolerance()
: gmx::test::FloatingPointTolerance
- defaultNiceLevel()
: gmx::CommandLineModuleSettings
- defaultNstImd
: gmx::ImdSession::Impl
- defaultRealTolerance()
: gmx::test::FloatingPointTolerance
- defaultRealUlpTol()
: gmx::test::SimdBaseTest
- defaultSelectionText()
: gmx::SelectionOption
- defaultTolerance
: gmx::CubicSplineTable
, gmx::QuadraticSplineTable
- defaultTolerance_
: gmx::test::TestReferenceChecker::Impl
- defaultType()
: gmx::FileNameOption
- defaultValue()
: gmx::BooleanOptionStorage
, gmx::OptionTemplate< T, U >
, gmx::BooleanOptionInfo
- defaultValueIfSet()
: gmx::OptionTemplate< T, U >
- defaultValueIfSetExists()
: gmx::AbstractOptionStorage
- defaultValues()
: gmx::AbstractOptionStorage
, gmx::OptionStorageTemplate< T >
, gmx::SelectionFileOptionStorage
, gmx::OptionInfo
- defaultValuesAsStrings()
: gmx::AbstractOptionStorage
, gmx::OptionStorageTemplate< T >
, gmx::SelectionFileOptionStorage
, gmx::OptionInfo
- defining_atomnames
: gmx_help_make_index_group
- deform
: gmx::BoxDeformationHandle
, gmx::Update
- deform_
: gmx::LegacySimulatorData
- degangle
: gmx_potfit
, gmx_enfrotgrp
- dekindl
: ekinstate_t
- delta
: gmx::shakedata
- delta_t
: gmx::SimulationTimeStep
- deltaF
: anonymous_namespace{edsam.cpp}::t_edflood
- deltaF0
: anonymous_namespace{edsam.cpp}::t_edflood
- deltaH()
: ForeignLambdaTerms
- deltaLambda
: gmx::test::anonymous_namespace{freeenergyparameters.cpp}::FreeEnergyParameterTestParameters
- deltaQ
: t_swap
- density
: gmx::DensitySimilarityMeasure
- densityDataCopy()
: gmx::MrcDensityMapOfFloatFromFileReader
- DensityFitting()
: gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting
- DensityFittingAmplitudeLookup()
: gmx::DensityFittingAmplitudeLookup
- DensityFittingForce()
: gmx::DensityFittingForce
- DensityFittingForceProvider()
: gmx::DensityFittingForceProvider
- DensitySimilarityCrossCorrelation()
: gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation
- DensitySimilarityInnerProduct()
: gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct
- DensitySimilarityMeasure()
: gmx::DensitySimilarityMeasure
- DensitySimilarityRelativeEntropy()
: gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityRelativeEntropy
- derivative
: gmx::AnalyticalSplineTableInput
, gmx::NumericalSplineTableInput
- desc
: t_pargs
, t_mapping
, gmx::AnalyticalSplineTableInput
, gmx::NumericalSplineTableInput
- DescribeNegationTo()
: gmx::test::FloatTypeMatcher< FloatType >
, gmx::test::RVecMatcher< FloatType >
- DescribeTo()
: gmx::test::FloatTypeMatcher< FloatType >
, gmx::test::RVecMatcher< FloatType >
- description
: gmx::RocfftPlan
, gmx::AbstractOptionStorage
, gmx::SelectionOptionManager::Impl::SelectionRequest
, gmx::test::TestDevice
, gmx::OptionTemplate< T, U >
- deserialize()
: gmx::ReadCheckpointDataHolder
- destinations
: gmx_repl_ex
- destroyGpuHaloExchangeNvshmemBuf()
: gmx::GpuHaloExchange
, gmx::GpuHaloExchange::Impl
- detect()
: gmx::CpuInfo
, gmx::HardwareTopology
- dev
: gmx::HardwareTopology::Device
- dev_rundata
: gmx::NbnxmGpu
- deviceContext()
: gmx::test::TestDevice
- deviceContext_
: PmeGpuProgramImpl
, PmeGpuSpecific
, gmx::NbnxmGpu
- deviceDetectionWarnings_
: gmx::DeviceDetectionResult
- deviceId
: gmx::HardwareTopology::Device
- deviceId_
: gmx::GpuTaskMapping
- deviceIdsAssigned()
: gmx::GpuTaskAssignments
- deviceInfo()
: gmx::DeviceStreamManager
, gmx::test::TestDevice
- deviceInfoList_
: gmx::DeviceDetectionResult
- devices
: gmx::HardwareTopology::Machine
- devicesSelectedByUser
: gmx_hw_opt_t
- deviceStream()
: gmx::test::TestDevice
- DeviceStream()
: DeviceStream
- DeviceStreamManager()
: gmx::DeviceStreamManager
- deviceStreams
: gmx::NbnxmGpu
- deviceVendor
: DeviceInformation
- dfhist
: t_state
- dhdlambda
: anonymous_namespace{lincs.cpp}::Task
- dHH
: SettleWaterTopology
- diagonal_2xnn_j_minus_i
: gmx::nbnxn_atomdata_t::SimdMasks
- diagonal_4xn_j_minus_i
: gmx::nbnxn_atomdata_t::SimdMasks
- diagonalVirial()
: gmx::ThreadForceBuffer< ForceBufferElementType >
- didOutput()
: gmx::TextTableFormatter
- didPairlistH2D
: gmx::GpuTimers::Interaction
, gmx::NbnxmGpu
- didPrune
: gmx::GpuTimers::Interaction
, gmx::NbnxmGpu
- didRollingPrune
: gmx::GpuTimers::Interaction
, gmx::NbnxmGpu
- difference_type
: gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
, gmx::internal::SimdArrayRef< T >
, gmx::FixedCapacityVector< typename, size_t >
, gmx::ArrayRef< typename >
- diffusionCoefficient
: gmx::analysismodules::anonymous_namespace{msd.cpp}::MoleculeData
, gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData
- dihedrals
: AllVsiteBondedInteractions
- Dihedrals
: ListedForces
- dim
: t_pullcoord
, t_pbc
- dimensions()
: gmx::Grid
- dimParams()
: gmx::Bias
, gmx::test::AwhTestParameters
- dimParams_
: gmx::DimParams
- dir_
: gmx::DataFileInfo
- directNeighborAtomRangeEnd()
: gmx::DomdecZones
- DirectoryEnumerator()
: gmx::DirectoryEnumerator
- disableForDomainIfAnyPpRankHasCpuForces()
: gmx::MdGpuGraph::Impl
- disableInputOptionChecking()
: gmx::FileNameOptionManager
- disablePmeRanks()
: gmx::SeparatePmeRanksPermitted
- disableUnusedEntriesCheck()
: gmx::test::TestReferenceChecker
- DisableUpdateSkips
: gmx::BiasParams
- discard()
: gmx::ThreeFry2x64General< rounds, internalCounterBits >
- disconnectClient()
: gmx::ImdSession::Impl
- dispatchFreeEnergyKernels()
: gmx::FreeEnergyDispatch
, gmx::nonbonded_verlet_t
- dispatchNonbondedKernel()
: gmx::nonbonded_verlet_t
- dispatchPruneKernel()
: gmx::PairlistSet
, gmx::PairlistSets
- dispatchPruneKernelCpu()
: gmx::nonbonded_verlet_t
- dispatchPruneKernelGpu()
: gmx::nonbonded_verlet_t
- dispersion_shift
: gmx::NBParamGpu
, gmx::cl_nbparam_params
- displayName()
: gmx::CommandLineProgramContext
, gmx::IProgramContext
, gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext
, gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext
- disre_initf
: history_t
- disre_rm3tav
: history_t
- dist
: swap_compartment
- distance2()
: gmx::AnalysisNeighborhoodPair
- distance_squared_tolerance
: gmx::shakedata
- distanceIJ
: gmx::PairDistValue
- distArray_
: gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistanceModuleData
- distccut
: methoddata_insolidangle
- distribution_type
: gmx::ExponentialDistribution< RealType >::param_type
, gmx::GammaDistribution< RealType >::param_type
, gmx::NormalDistribution< RealType >::param_type
, gmx::UniformIntDistribution< IntType >::param_type
, gmx::TabulatedNormalDistribution< RealType, tableBits >::param_type
, gmx::UniformRealDistribution< RealType >::param_type
- dlbOption
: gmx::DomdecOptions
- dlbScaling
: gmx::DomdecOptions
- doAll
: gmx::NbnxmKernelBenchOptions
- doBool()
: gmx::ISerializer
, gmx::FileIOXdrSerializer
- doBoolArray()
: gmx::ISerializer
- doChar()
: gmx::FileIOXdrSerializer
- doCharArray()
: gmx::FileIOXdrSerializer
- doCheckpoint()
: df_history_t
, gmx::NoseHooverGroup
, ekinstate_t
- doCheckpointData()
: gmx::NoseHooverTemperatureCoupling
- doDouble()
: gmx::FileIOXdrSerializer
- doEnumArrayAsInt()
: gmx::ISerializer
- doEnumAsInt()
: gmx::ISerializer
- doFloat()
: gmx::FileIOXdrSerializer
- dOH
: SettleWaterTopology
- doInt()
: gmx::FileIOXdrSerializer
- doInt32()
: gmx::FileIOXdrSerializer
- doInt64()
: gmx::FileIOXdrSerializer
- doIvec()
: gmx::FileIOXdrSerializer
- doListedForcesSorting()
: gmx_reverse_top_t
- domain
: gmx::HardwareTopology::Device
- DomainCommBackward()
: gmx::DomainCommBackward
- DomainCommForward()
: gmx::DomainCommForward
- DomainDecompositionBuilder()
: gmx::DomainDecompositionBuilder
- domainGroups
: AtomDistribution
- DomainInfo()
: gmx::DomainInfo
- DomainPairComm()
: gmx::DomainPairComm
- DomainSetup()
: gmx::GridSet::DomainSetup
- domainSetup()
: gmx::GridSet
- domainShift()
: gmx::DomainCommBackward
- domdec_
: gmx::DomainInfo
- DomDecHelper()
: gmx::DomDecHelper
, gmx::TopologyHolder
- domdecOptions
: gmx::LegacyMdrunOptions
- doMdrun()
: gmx::test::PeriodicActionsTest
- doMembed()
: gmx::MembedHolder
- done()
: gmx::AbstractAverageHistogram
- doNeighborSearch
: gmx::StepWorkload
- donor_
: gmx::analysismodules::anonymous_namespace{dssp.cpp}::ResInfo
- donorEnergy_
: gmx::analysismodules::anonymous_namespace{dssp.cpp}::ResInfo
- doOpaque()
: gmx::FileIOXdrSerializer
- doParsing_
: gmx::ColvarProxyGromacs
- doPmeLoadBalancing()
: gmx::PmeLoadBalanceHelper
- doReal()
: gmx::FileIOXdrSerializer
- doRerun_
: gmx::LegacySimulatorData
- doRvec()
: gmx::FileIOXdrSerializer
- doRvecArray()
: gmx::FileIOXdrSerializer
- doSimulationWork()
: gmx::test::anonymous_namespace{observablesreducer.cpp}::Subscriber
- doSkippedUpdatesForAllPoints()
: gmx::Bias
, gmx::BiasState
- doSkippedUpdatesInNeighborhood()
: gmx::BiasState
- doString()
: gmx::FileIOXdrSerializer
- dot()
: gmx::BasicVector< ValueType >
- doTestParticleInsertion_
: gmx::GridSet::DomainSetup
- double_prec
: CheckpointHeaderContents
- doubleBlockLength()
: gmx::CorrelationBlockData
- DoubleOption()
: gmx::DoubleOption
- DoubleOptionInfo()
: gmx::DoubleOptionInfo
- DoubleOptionStorage()
: gmx::DoubleOptionStorage
, gmx::DoubleOption
- doubleToler
: gmx::test::anonymous_namespace{nb_free_energy.cpp}::ListInput
, gmx::test::anonymous_namespace{pairs.cpp}::ListInput
- doUChar()
: gmx::FileIOXdrSerializer
- doUCharArray()
: gmx::FileIOXdrSerializer
- doUShort()
: gmx::FileIOXdrSerializer
- dsspData_
: gmx::analysismodules::anonymous_namespace{dssp.cpp}::DsspStorageFrame
- dt
: gmx::AnalysisDataDisplacementModule::Impl
, anonymous_namespace{edsam.cpp}::t_edflood
, UmbrellaOptions
, t_UmbrellaWindow
- DTensors
: t_oriresdata
- DTensorsEnsembleAv
: t_oriresdata
- DTensorsTimeAndEnsembleAv
: t_oriresdata
- DTensorsTimeAveragedHistory()
: t_oriresdata
- dtoler
: gmx::test::anonymous_namespace{bonded.cpp}::iListInput
- dtSample_
: gmx::CorrelationGrid
- dummy
: gmx::gmx_cache_protect_t
- dummyMass
: VirtualSiteConfiguration
- dummySelection_
: gmx::test::ModuleTest
- dummyTopology_
: gmx::test::ModuleTest
- dump()
: gmx::ReadCheckpointDataHolder
- dv
: pull_group_work_t
- dvdl
: DispersionCorrection::Correction
, gmx::ThreadForceBuffer< ForceBufferElementType >
- dvdl_lin
: gmx_enerdata_t
- dvdl_nonlin
: gmx_enerdata_t
- dvdLambda
: gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities
- dvdlambda
: gmx::test::anonymous_namespace{bonded.cpp}::OutputQuantities
- dvdLambda
: gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities
- dx()
: gmx::AnalysisDataPointSetRef
, gmx::AnalysisDataFrameHeader
, gmx::test::AnalysisDataTestInputFrame
, gmx::AnalysisDataFrameRef
, gmx::AnalysisNeighborhoodPair
- dxdf
: gmx::VsiteThread
- dy()
: gmx::AnalysisDataFrameRef
, gmx::AnalysisDataPointSetRef
- dynamicGroup0
: pull_coord_work_t
- dynamicMask()
: gmx::SelectionOption
- dynamicPruneTime
: gmx_wallclock_gpu_nbnxn_t