Gromacs
2026.0-dev-20251119-5f0a571d
Main Page
Modules
Other Docs
Namespaces
Classes
Files
Examples
Class List
Class Index
Class Hierarchy
Class Members
All
Functions
Variables
Typedefs
Enumerations
Enumerator
Related Functions
a
b
c
d
e
f
g
h
i
j
k
l
m
n
o
p
q
r
s
t
u
v
w
x
y
z
~
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Friends
Macros
Groups
Pages
- g -
GammaDistribution() :
gmx::GammaDistribution< RealType >
gatherAtomNumbersIndices() :
gmx::NNPotForceProvider
gatherAtomPositions() :
gmx::NNPotForceProvider
GatherTestBody() :
gmx::test::anonymous_namespace{pmegathertest.cpp}::GatherTestBody
GaussianOn1DLattice() :
gmx::GaussianOn1DLattice
GaussTransform3D() :
gmx::GaussTransform3D
generateCP2KInput() :
gmx::QMMMInputGenerator
generateCP2KPdb() :
gmx::QMMMInputGenerator
generatedByHeader() :
gmx::BinaryInformationSettings
Geometry() :
gmx::Grid::Geometry
geometry() :
gmx::Grid
get() :
gmx::GlobalCommandLineHelpContext
,
gmx::compat::not_null< T >
,
gmx::SimulationInputHandle
,
gmx::OptionManagerContainer
get_allocator() :
gmx::PaddedVector< T, Allocator >
get_pointer() :
StaticLocalStorage< T, size, condition >
getAdapters() :
gmx::OutputAdapterContainer
getAndersenRandomizeGroup() :
gmx::Update
getAtomCount() :
gmx::ITopologyProvider
getAtomsCopy() :
gmx::test::SetAtomsTest
getBlockLength() :
gmx::CorrelationGrid
getBoltzmanFactor() :
gmx::Update
getBox() :
gmx::GridSet
,
gmx::TopologyInformation
getBridges() :
gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData
getCallCount() :
GpuRegionTimerWrapper< GpuRegionTimerImpl >
getColvarsCoords() :
gmx::ColvarsPreProcessor
getCommunicationBuffer() :
gmx::SimulationSignaller
getCoords() :
gmx::MimicCommunicator
getCoulombEnergyAndVirial() :
PmeSolve
getCurrentPositions() :
gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator
getData() :
gmx::analysismodules::anonymous_namespace{dssp.cpp}::DsspStorage
,
gmx::analysismodules::anonymous_namespace{hbond.cpp}::HbondStorage
getDataFrame() :
gmx::AbstractAnalysisData
getElementPointerImpl() :
gmx::AndersenTemperatureCoupling
,
gmx::ComputeGlobalsElement< algorithm >
,
gmx::ConstraintsElement< variable >
,
gmx::EnergyData::Element
,
gmx::ExpandedEnsembleElement
,
gmx::FirstOrderPressureCoupling
,
gmx::ForceElement
,
gmx::FreeEnergyPerturbationData::Element
,
gmx::MttkElement
,
gmx::MttkBoxScaling
,
gmx::NoseHooverChainsElement
,
gmx::ParrinelloRahmanBarostat
,
gmx::Propagator< integrationStage >
,
gmx::PullElement
,
gmx::StatePropagatorData::Element
,
gmx::VelocityScalingTemperatureCoupling
getEmbeddedIndex() :
gmx::LinkFrontierAtom
getEnergies() :
gmx::EnergyAccumulator< false, true >
,
gmx::EnergyAccumulator< true, true >
getEnergyGroup() :
gmx::EnergyGroupsPerCluster
getEnergyNames() :
gmx::test::EnergyComparison
getExecutablePaths() :
gmx::anonymous_namespace{cmdlineprogramcontext.cpp}::DefaultExecutableEnvironment
,
gmx::IExecutableEnvironment
getFepVals() :
gmx::test::anonymous_namespace{freeenergyparameters.cpp}::FreeEnergyParameterTest
getFileName() :
WarningHandler
getForcesReadyOnDeviceEvent() :
gmx::FusedGpuHaloExchange
,
gmx::GpuHaloExchange
,
gmx::GpuHaloExchange::Impl
getForcesReadySynchronizer() :
gmx::PmePpCommGpu
,
gmx::PmePpCommGpu::Impl
getFormFactor() :
gmx::ComputeDebyeScattering
getFrameBuilder() :
gmx::internal::AnalysisDataStorageImpl
getFrameIndices() :
gmx::PositionCalculationCollection::Impl
getGlobalOutputTempDirectory() :
gmx::test::TestFileManager
getGpuForcesSyncObj() :
gmx::PmePpCommGpu
,
gmx::PmePpCommGpu::Impl
getGpuForceStagingPtr() :
gmx::PmePpCommGpu
,
gmx::PmePpCommGpu::Impl
getGridCoordValue() :
gmx::Bias
getGridIndices() :
gmx::nonbonded_verlet_t
getHelixPosition() :
gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData
getHierarchicalReductionsReport() :
gmx::MpiComm
getIndex() :
gmx::analysismodules::anonymous_namespace{dssp.cpp}::ResInfo
getInfo() :
gmx::GromacsException
getInputDataDirectory() :
gmx::test::TestFileManager
getInputFilePath() :
gmx::test::TestFileManager
getInputIndexEmb() :
gmx::LinkFrontierAtom
getInputIndexMM() :
gmx::LinkFrontierAtom
getInstance() :
gmx::test::anonymous_namespace{testoptions.cpp}::TestOptionsRegistry
getLastRangeTime() :
GpuRegionTimerWrapper< GpuRegionTimerImpl >
,
GpuRegionTimerImpl
getLinkPosition() :
gmx::LinkFrontierAtom
getLJEnergyAndVirial() :
PmeSolve
getLocalAtomorder() :
gmx::GridSet
getLocalAtomOrder() :
gmx::nonbonded_verlet_t
getLocalGridNumAtomsPerColumn() :
gmx::GridSet
,
gmx::nonbonded_verlet_t
getMaxDist() :
gmx::ComputeDebyeScattering
getMessage() :
anonymous_namespace{resourcedivision.cpp}::SingleRankChecker
getMMIndex() :
gmx::LinkFrontierAtom
getNextTask() :
gmx::ModularSimulatorAlgorithm
getNumAtoms() :
gmx::nonbonded_verlet_t
getNumberOfConverters() :
gmx::ProcessFrameConversion
getNumBlocks() :
gmx::CorrelationGrid
getObjectBuilder() :
gmx::KeyValueTreeObjectBuilder
getOption() :
gmx::test::ModuleSelection
getOutputTempDirectory() :
gmx::test::TestFileManager
getParagraphText() :
gmx::RstParagraphIterator
getPmf() :
gmx::BiasState
getPpTaskCompletionEvent() :
gmx::MdGpuGraph::Impl
getRequiredAtoms() :
gmx::PositionCalculationCollection
getRestraints() :
gmx::RestraintManager
getRunners() :
gmx::test::anonymous_namespace{constr.cpp}::ConstraintsTest
getScatteringLength() :
gmx::ComputeDebyeScattering
,
gmx::SansDebye
,
gmx::SaxsDebye
getSecondaryStructure() :
gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData
getSharedCorrelationTensorTimeIntegral() :
gmx::BiasState
getSharedPointCorrelationIntegral() :
gmx::BiasState
getSignal() :
gmx::StopConditionSignal
,
gmx::StopConditionTime
getSkipMessagesIfNecessary() :
gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest
getStepNumber() :
gmx::MimicCommunicator
getStopHandlerMD() :
gmx::StopHandlerBuilder
getStorage() :
gmx::AbstractOptionSectionHandle
getSyncBuffer() :
gmx::GpuHaloExchangeNvshmemHelper
getTargetZoneCorners() :
gmx::DomainCommBackward
getTemporaryFilePath() :
gmx::test::TestFileManager
getTerms() :
ForeignLambdaTerms
getTestDeviceList() :
gmx::test::TestHardwareEnvironment
getTestSimulationDatabaseDirectory() :
gmx::test::TestFileManager
getTestSpecificFileName() :
gmx::test::TestFileManager
getTestSpecificFileNameRoot() :
gmx::test::TestFileManager
getTimeIntegral() :
gmx::CorrelationTensor
getTopology() :
gmx::ITopologyProvider
getTotalTime() :
GpuRegionTimerWrapper< GpuRegionTimerImpl >
getVirial() :
gmx::ForceWithVirial
getVolumeElement() :
gmx::CorrelationTensor
getWeight() :
gmx::CorrelationTensor
getWorkingDirectory() :
gmx::IExecutableEnvironment
,
gmx::anonymous_namespace{cmdlineprogramcontext.cpp}::DefaultExecutableEnvironment
globalAtomIndices() :
gmx::DomainCommBackward
globalAtomNumber() :
AtomProxy
GlobalCommandLineHelpContext() :
gmx::GlobalCommandLineHelpContext
GlobalCommunicationHelper() :
gmx::GlobalCommunicationHelper
globalIndex() :
gmx::LocalAtomSet
globalTopology() :
gmx::TopologyHolder
gmx_ana_indexgrps_t() :
gmx_ana_indexgrps_t
gmx_ana_pos_t() :
gmx_ana_pos_t
gmx_enerdata_t() :
gmx_enerdata_t
gmx_ga2la_t() :
gmx_ga2la_t
gmx_localtop_t() :
gmx_localtop_t
gmx_moltype_t() :
gmx_moltype_t
gmx_multisim_t() :
gmx_multisim_t
gmx_pme_t() :
gmx_pme_t
gmx_reverse_top_t() :
gmx_reverse_top_t
gmxSetUp() :
gmx::test::TestHardwareEnvironment
gmxTearDown() :
gmx::test::TestHardwareEnvironment
Gpu3dFft() :
gmx::Gpu3dFft
GpuFeplist() :
gmx::GpuFeplist
GpuForceReduction() :
gmx::GpuForceReduction
GpuHaloExchange() :
gmx::GpuHaloExchange
gpuList() :
gmx::PairlistSet
gpuNbv() :
gmx::nonbonded_verlet_t
GpuPairlist() :
gmx::GpuPairlist
GpuPairlistSorting() :
gmx::GpuPairlistSorting
GpuRegionTimerImpl() :
GpuRegionTimerImpl
GpuTaskAssignments() :
gmx::GpuTaskAssignments
GpuTaskAssignmentsBuilder() :
gmx::GpuTaskAssignmentsBuilder
gradient() :
gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct
,
gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityRelativeEntropy
,
gmx::AffineTransformation
,
gmx::DensitySimilarityMeasure
,
gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation
graphIsCapturingThisStep() :
gmx::MdGpuGraph::Impl
grid() :
pmegrid_t
,
gmx::GridSet
,
pmegrid_t
Grid() :
gmx::Grid
GridAxis() :
gmx::GridAxis
GridColumnInfo() :
gmx::anonymous_namespace{domainpaircomm.cpp}::GridColumnInfo
gridpointIndex() :
gmx::CoordState
grids() :
gmx::GridSet
GridSet() :
gmx::GridSet
gridSet() :
gmx::PairSearch
GromacsException() :
gmx::GromacsException
Group() :
gmx::internal::OptionSectionImpl::Group
groupPairEnergies() :
gmx::ThreadForceBuffer< ForceBufferElementType >
guarantee() :
gmx::ProcessFrameConversion
,
gmx::IFrameConverter
Generated on Tue Dec 2 2025 00:21:42 for Gromacs by
1.8.5