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- r -
rand_gaussian() :
gmx::ColvarProxyGromacs
Range() :
gmx::Range< typename >
range() :
gmx::AnalysisHistogramSettingsInitializer
Range() :
gmx::Range< typename >
RangeError() :
gmx::RangeError
rank() :
gmx::detail::extents_analyse< 0 >
,
gmx::extents< StaticExtents >
,
gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
,
gmx::detail::extents_analyse< R, E0, StaticExtents...>
,
gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
rank_dynamic() :
gmx::detail::extents_analyse< R, E0, StaticExtents...>
,
gmx::detail::extents_analyse< R, dynamic_extent, StaticExtents...>
,
gmx::detail::extents_analyse< 0 >
,
gmx::extents< StaticExtents >
,
gmx::basic_mdspan< ElementType, Extents, LayoutPolicy, AccessorPolicy >
rbegin() :
gmx::FixedCapacityVector< typename, size_t >
,
gmx::ArrayRef< typename >
,
gmx::EnumerationArray< EnumType, DataType, ArraySize >
RdfModuleData() :
gmx::analysismodules::anonymous_namespace{rdf.cpp}::RdfModuleData
readAll() :
gmx::TextReader
readCheckpoint() :
gmx::ITemperatureCouplingImpl
,
gmx::VRescaleTemperatureCoupling
,
gmx::BerendsenTemperatureCoupling
,
gmx::NoseHooverTemperatureCoupling
readCheckpointToTrxFrame() :
gmx::FreeEnergyPerturbationData
,
gmx::ModularSimulator
,
gmx::StatePropagatorData
readCommand() :
gmx::ImdSession::Impl
readDouble() :
gmx::test::TestReferenceChecker
readFileToString() :
gmx::TextReader
readFloat() :
gmx::test::TestReferenceChecker
reading() :
gmx::FileIOXdrSerializer
,
gmx::ISerializer
readInt32() :
gmx::test::TestReferenceChecker
readInt64() :
gmx::test::TestReferenceChecker
readInteger() :
gmx::test::TestReferenceChecker
readInternalParametersFromKvt() :
gmx::ColvarsOptions
,
gmx::DensityFittingOptions
,
gmx::QMMMOptions
readLine() :
gmx::StandardInputStream
,
gmx::TextInputFile
,
gmx::StringInputStream
,
gmx::TextReader
,
gmx::TextInputStream
readNextFrame() :
gmx::TrajectoryAnalysisRunnerCommon
,
gmx::test::EnergyFrameReader
,
gmx::test::TrajectoryFrameReader
readReferenceDensityFromFile() :
gmx::anonymous_namespace{densityfitting.cpp}::DensityFittingSimulationParameterSetup
readState() :
gmx::ColvarsForceProviderState
,
gmx::DensityFittingForceProviderState
readString() :
gmx::test::TestReferenceChecker
readUChar() :
gmx::test::TestReferenceChecker
readVmdForces() :
gmx::ImdSession::Impl
readWriteFlags() :
gmx::FileNameOption
reasonsWhyDisabled() :
gmx::SeparatePmeRanksPermitted
receiveCoordinatesSynchronizerFromPpPeerToPeer() :
gmx::PmeCoordinateReceiverGpu::Impl
receiveForceFromPme() :
gmx::PmePpCommGpu
,
gmx::PmePpCommGpu::Impl
receivePpCoordinateSendEvent() :
gmx::PmeCoordinateReceiverGpu::Impl
redirectStringToStdin() :
gmx::test::StdioTestHelper
reduce() :
gmx::ThreadedForceBuffer< ForceBufferElementType >
reduceForces() :
nbnxn_atomdata_t
reduceIEnergies() :
gmx::EnergyAccumulator< useEnergyGroups, false >
,
gmx::EnergyAccumulator< true, true >
reductionComplete() :
gmx::ObservablesReducer
reductionMask() :
gmx::ThreadForceBuffer< ForceBufferElementType >
referenceCoordinates() :
t_oriresdata
referenceDensity() :
gmx::anonymous_namespace{densityfitting.cpp}::DensityFittingSimulationParameterSetup
referenceDensityFileName() :
gmx::DensityFittingOptions
referencePressure() :
gmx::MttkData
ReferenceTemperatureHelper() :
gmx::StatePropagatorData::ReferenceTemperatureHelper
ReferenceTemperatureManager() :
gmx::ReferenceTemperatureManager
refId() :
gmx::SelectionPosition
refIds() :
gmx::Selection
refIndex() :
gmx::AnalysisNeighborhoodPair
refreshMassesAndCharges() :
gmx::internal::SelectionData
refreshName() :
gmx::internal::SelectionData
registerAnalysisDataset() :
gmx::TrajectoryAnalysisModule
registerAwhWithPull() :
gmx::Awh
registerBasicDataset() :
gmx::TrajectoryAnalysisModule
registerClient() :
gmx::CheckpointHelperBuilder
,
gmx::DomDecHelperBuilder
,
gmx::TopologyHolder::Builder
registerDomDecCallback() :
gmx::ForceElement
,
gmx::FreeEnergyPerturbationData::Element
,
gmx::IDomDecHelperClient
,
gmx::TopologyHolder
registerEnergyCallback() :
gmx::IEnergySignallerClient
registerLastStepCallback() :
gmx::ILastStepSignallerClient
registerLoggingCallback() :
gmx::ILoggingSignallerClient
registerModule() :
gmx::CommandLineModuleManager
,
gmx::TrajectoryAnalysisCommandLineRunner
registerModuleDirect() :
gmx::ICommandLineOptionsModule
registerModuleFactory() :
gmx::ICommandLineOptionsModule
registerNbnxmForce() :
gmx::GpuForceReduction
registerNSCallback() :
gmx::INeighborSearchSignallerClient
registerOption() :
gmx::SelectionOptionManager
registerPostStepScheduling() :
gmx::ModularSimulatorAlgorithmBuilderHelper
registerPreStepScheduling() :
gmx::ModularSimulatorAlgorithmBuilderHelper
registerPropagator() :
gmx::ModularSimulatorAlgorithmBuilderHelper
registerReferenceTemperatureUpdate() :
gmx::ModularSimulatorAlgorithmBuilderHelper
registerRvecForce() :
gmx::GpuForceReduction
registerSignallerClient() :
gmx::SignallerBuilder< Signaller >
registerStopCondition() :
gmx::StopHandlerBuilder
registerSubTopic() :
gmx::AbstractCompositeHelpTopic
registerTemperaturePressureControl() :
gmx::ModularSimulatorAlgorithmBuilderHelper
registerTrajectorySignallerCallback() :
gmx::ITrajectorySignallerClient
registerTrajectoryWriterCallback() :
gmx::ITrajectoryWriterClient
registerUpdateCallback() :
gmx::ReferenceTemperatureManager
registerWriterClient() :
gmx::TrajectoryElementBuilder
reinit() :
gmx::PmePpCommGpu
,
gmx::PmePpCommGpu::Impl
,
gmx::GpuForceReduction
reinitCoordinateReceiver() :
gmx::PmeCoordinateReceiverGpu::Impl
reinitHalo() :
gmx::GpuHaloExchange
,
gmx::GpuHaloExchange::Impl
relativeToleranceAsFloatingPoint() :
gmx::test::FloatingPointTolerance
relativeToleranceAsPrecisionDependentFloatingPoint() :
gmx::test::FloatingPointTolerance
relativeToleranceAsPrecisionDependentUlp() :
gmx::test::FloatingPointTolerance
relativeToleranceAsUlp() :
gmx::test::FloatingPointTolerance
removeCalculation() :
gmx::PositionCalculationCollection::Impl
removeFiles() :
gmx::test::TestFileManager::Impl
removeMolecularShifts() :
gmx::ImdSession::Impl
removeTerminatingLineFeed() :
gmx::anonymous_namespace{exceptions.cpp}::MessageWriterString
rend() :
gmx::FixedCapacityVector< typename, size_t >
,
gmx::ArrayRef< typename >
,
gmx::FixedCapacityVector< typename, size_t >
renumberTypes() :
PreprocessingAtomTypes
reopenRegionCpu() :
DDBalanceRegionHandler
RepeatingOptionSection() :
gmx::RepeatingOptionSection< T >
RepeatingOptionSectionHandle() :
gmx::RepeatingOptionSectionHandle< T >
RepeatingOptionSectionStorage() :
gmx::RepeatingOptionSectionStorage< T >
replaceLinks() :
gmx::HelpWriterContext::Impl
reportGpuUsage() :
gmx::GpuTaskAssignments
representativeItem() :
gmx::UnionFinder
representativeValue() :
gmx::MappedUnionFinder
requestFrame() :
gmx::test::TopologyManager
requestOptionDelayedParsing() :
gmx::SelectionOptionManager
RequestsClearer() :
gmx::SelectionOptionManager::Impl::RequestsClearer
requestStorage() :
gmx::AbstractAnalysisData
,
gmx::AnalysisDataStorage
requestStorageInternal() :
gmx::AbstractAnalysisData
requestUnsetRequiredOptions() :
gmx::SelectionOptionManager::Impl
required() :
gmx::OptionTemplate< T, U >
required_span_size() :
gmx::layout_right::mapping< Extents >
requiredTopologyInfoForType() :
gmx::PositionCalculationCollection
requiredTopologyProperties() :
gmx::SelectionTreeElement
,
gmx::SelectionCollection
requiredTopologyPropertiesForPositionType() :
gmx::SelectionCollection::Impl
requireReduction() :
gmx::ObservablesReducer::Impl
requiresIndexGroups() :
gmx::SelectionTreeElement
,
gmx::SelectionCollection
resampleDoubleBinWidth() :
gmx::AbstractAverageHistogram
reserve() :
gmx::OptionValueStoreNull< T >
,
anonymous_namespace{evaluate.cpp}::MempoolSelelemReserver
,
anonymous_namespace{evaluate.cpp}::MempoolGroupReserver
,
gmx::IOptionValueStore< T >
,
gmx::internal::EnumIndexStore< EnumType >
reserveWithPadding() :
gmx::PaddedVector< T, Allocator >
reset() :
GpuRegionTimerWrapper< GpuRegionTimerImpl >
,
GpuRegionTimerImpl
,
gmx::MdGpuGraph::Impl
,
gmx::ExponentialDistribution< RealType >
,
gmx::GammaDistribution< RealType >
,
gmx::TabulatedNormalDistribution< RealType, tableBits >
,
gmx::UniformIntDistribution< IntType >
,
gmx::UniformRealDistribution< RealType >
,
gmx::NormalDistribution< RealType >
,
gmx::AnalysisNeighborhoodSearch
resetCounters() :
gmx::ResetHandler
ResetHandler() :
gmx::ResetHandler
residueName() :
AtomProxy
residueNumber() :
AtomProxy
resind() :
SimulationParticle
resize() :
gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >
,
gmx::ForceBuffers
,
ForceHelperBuffers
,
JClusterList
,
PackedJClusterList
resizeBufferAndClearMask() :
gmx::ThreadForceBuffer< ForceBufferElementType >
resizeChargeA() :
gmx::MDAtoms
resizeChargeB() :
gmx::MDAtoms
resizeCoordinateBuffer() :
nbnxn_atomdata_t
resizeForceBuffers() :
nbnxn_atomdata_t
resizeWithPadding() :
gmx::PaddedVector< T, Allocator >
resolveExternalGroups() :
gmx::SelectionCollection::Impl
resolveIndexGroupReference() :
gmx::SelectionTreeElement
restart() :
gmx::ThreeFry2x64General< rounds, internalCounterBits >
restoreCheckpointState() :
gmx::ICheckpointHelperClient
,
gmx::NoseHooverChainsData
,
gmx::ParrinelloRahmanBarostat
,
gmx::ExpandedEnsembleElement
,
gmx::FirstOrderPressureCoupling
,
gmx::FreeEnergyPerturbationData::Element
,
gmx::MttkData
,
gmx::StatePropagatorData::Element
,
gmx::EnergyData::Element
,
gmx::PullElement
,
gmx::VelocityScalingTemperatureCoupling
restoreFromHistory() :
gmx::CorrelationTensor
,
gmx::CoordState
,
gmx::BiasState
,
gmx::CorrelationBlockData
,
gmx::HistogramSize
restoreOriginalPositions() :
gmx::internal::SelectionData
restoreStateFromHistory() :
gmx::Awh
,
gmx::Bias
,
gmx::CorrelationGrid
RestraintForceProvider() :
gmx::RestraintForceProvider
RestraintManager() :
gmx::RestraintManager
RestraintMDModule() :
gmx::RestraintMDModule
RestraintMDModuleImpl() :
gmx::RestraintMDModuleImpl
result() :
gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToString
,
gmx::anonymous_namespace{exceptions.cpp}::MessageWriterString
,
gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToVector
ReverseTopOptions() :
ReverseTopOptions
rmsd() :
gmx::Constraints
rootChecker() :
gmx::test::CommandLineTestBase
,
gmx::test::TestReferenceData
rootElement() :
gmx::internal::SelectionData
RootHelpTopic() :
gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic
rootObject() :
gmx::KeyValueTreeBuilder
rootSection() :
gmx::Options
rotateBuffer() :
gmx::internal::AnalysisDataStorageImpl
roundRange() :
gmx::AnalysisHistogramSettingsInitializer
rowCount() :
gmx::AbstractAnalysisArrayData
RstParagraphIterator() :
gmx::RstParagraphIterator
rules() :
gmx::KeyValueTreeTransformRulesScoped
run() :
anonymous_namespace{minimize.cpp}::EnergyEvaluator
,
gmx::ICommandLineOptionsModule
,
gmx::DomDecHelper
,
gmx::PmeLoadBalanceHelper
,
gmx::ModularSimulator
,
gmx::CheckpointHelper
,
gmx::CommandLineModuleManager
,
gmx::ImdSession::Impl
,
gmx::ICommandLineModule
,
gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule
,
gmx::CommandLineHelpModule
,
gmx::LegacySimulator
,
gmx::ISimulator
,
anonymous_namespace{legacymodules.cpp}::ObsoleteToolModule
runAsMain() :
gmx::TrajectoryAnalysisCommandLineRunner
,
gmx::ICommandLineOptionsModule
,
gmx::TrajectoryAnalysisCommandLineRunner
runAsMainCMain() :
gmx::CommandLineModuleManager
runAsMainCMainWithSettings() :
gmx::CommandLineModuleManager
runAsMainSingleModule() :
gmx::CommandLineModuleManager
runExitsNormallyTest() :
gmx::test::MultiSimTest
runFirstMdrun() :
gmx::test::TerminationHelper
runGrompp() :
gmx::test::MultiSimTest
runMaxhTest() :
gmx::test::MultiSimTest
runModuleDirect() :
gmx::test::CommandLineTestHelper
runModuleFactory() :
gmx::test::CommandLineTestHelper
runSecondMdrun() :
gmx::test::TerminationHelper
runSecondMdrunWithNoAppend() :
gmx::test::TerminationHelper
runTest() :
gmx::test::ModuleTest
,
anonymous_namespace{grompp.cpp}::GromppTest
,
gmx::test::anonymous_namespace{tpitest.cpp}::TpiTest
,
gmx::test::anonymous_namespace{pmebsplinetest.cpp}::PmeBSplineModuliTest
,
gmx::anonymous_namespace{shake.cpp}::ShakeTest
,
gmx::test::AbstractTrajectoryAnalysisModuleTestFixture
runTestMolecule() :
gmx::test::anonymous_namespace{com.cpp}::COMInPlaceTest
runTestResidue() :
gmx::test::anonymous_namespace{com.cpp}::COMInPlaceTest
rvec_array() :
gmx::PaddedVector< T, Allocator >
RVecMatcher() :
gmx::test::RVecMatcher< FloatType >
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