Gromacs
2020
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A
DefaultInitializationAllocator
(
gmx
)
IForceProvider
(
gmx
)
NumericalSplineTableInput
(
gmx
)
Simd4FBool
(
gmx
)
DensityFittingForce
(
gmx
)
IHelpTopic
(
gmx
)
NumPmeDomains
Simd4Float
(
gmx
)
AbstractAnalysisArrayData
(
gmx
)
DensityFittingModuleInfo
(
gmx
)
IKeyValueTreeTransformRules
(
gmx
)
O
SimdDBool
(
gmx
)
AbstractAnalysisData
(
gmx
)
DensitySimilarityMeasure
(
gmx
)
ILastStepSignallerClient
(
gmx
)
SimdDIBool
(
gmx
)
AbstractAverageHistogram
(
gmx
)
HardwareTopology::Device
(
gmx
)
ILoggingSignallerClient
(
gmx
)
ObservablesHistory
SimdDInt32
(
gmx
)
AbstractCompositeHelpTopic
(
gmx
)
df_history_t
ILogTarget
(
gmx
)
OpenClTraits
(
gmx
)
SimdDInt32Tag
(
gmx
)
AbstractOption
(
gmx
)
DirectoryEnumerator
(
gmx
)
IMDModule
(
gmx
)
OpenClTraits< cl_command_queue >
(
gmx
)
SimdDouble
(
gmx
)
AbstractOptionSection
(
gmx
)
DomainDecompositionBuilder
(
gmx
)
IMDOutputProvider
(
gmx
)
OpenClTraits< cl_context >
(
gmx
)
SimdDoubleTag
(
gmx
)
AbstractOptionSectionHandle
(
gmx
)
DomainLifetimeWorkload
(
gmx
)
IMdpOptionProvider
(
gmx
)
OpenClTraits< cl_kernel >
(
gmx
)
SimdFBool
(
gmx
)
AbstractOptionStorage
(
gmx
)
DomDecHelper
(
gmx
)
InconsistentInputError
(
gmx
)
OpenClTraits< cl_program >
(
gmx
)
SimdFIBool
(
gmx
)
AbstractPlotModule
(
gmx
)
DomdecOptions
(
gmx
)
INeighborSearchSignallerClient
(
gmx
)
OpenClTraitsBase
(
gmx
)
SimdFInt32
(
gmx
)
AbstractSimpleHelpTopic
(
gmx
)
DoubleOption
(
gmx
)
InstallationPrefixInfo
(
gmx
)
OptionInfo
(
gmx
)
SimdFInt32Tag
(
gmx
)
accessor_basic
(
gmx
)
DoubleOptionInfo
(
gmx
)
Int64Option
(
gmx
)
OptionManagerContainer
(
gmx
)
SimdFloat
(
gmx
)
KeyValueTreeTransformRuleBuilder::AfterFrom
(
gmx
)
E
Int64OptionInfo
(
gmx
)
Options
(
gmx
)
SimdFloatTag
(
gmx
)
AlignedAllocationPolicy
(
gmx
)
IntegerOption
(
gmx
)
OptionsAssigner
(
gmx
)
SimdSetZeroProxy
(
gmx
)
AlignedArray< double, N >
(
gmx
)
ekinstate_t
IntegerOptionInfo
(
gmx
)
OptionsBehaviorCollection
(
gmx
)
SimdTraits
(gmx::internal)
AlignedArray< float, N >
(
gmx
)
EnergyCalculationFrequencyErrors
(
gmx
)
InteractionListHandle
OptionSection
(
gmx
)
SimpleHelpTopic
(
gmx
)
Allocator
(
gmx
)
EnergyElement
(
gmx
)
InteractionOfType
OptionSectionHandle
(
gmx
)
SimulationContext
(
gmx
)
AllocatorTest
(
gmx::test
)
EnergySignaller
(
gmx
)
InteractionsOfType
OptionsIterator
(
gmx
)
SimulationGroups
AnalysisArrayData
(
gmx
)
gmx_ga2la_t::Entry
InteractiveTestHelper
(
gmx::test
)
OptionsModifyingIterator
(
gmx
)
SimulationInstabilityError
(
gmx
)
AnalysisData
(
gmx
)
EnumerationArray
(
gmx
)
InternalError
(
gmx
)
OptionsModifyingTypeVisitor
(
gmx
)
SimulationSignal
(
gmx
)
AnalysisDataAverageModule
(
gmx
)
EnumerationIterator
(
gmx
)
InvalidInputError
(
gmx
)
OptionsModifyingVisitor
(
gmx
)
SimulationSignaller
(
gmx
)
AnalysisDataBinAverageModule
(
gmx
)
EnumerationWrapper
(
gmx
)
IOptionManager
(
gmx
)
OptionStorageTemplate
(
gmx
)
SimulationWorkload
(
gmx
)
AnalysisDataDisplacementModule
(
gmx
)
EnumOption
(
gmx
)
IOptionsBehavior
(
gmx
)
OptionStorageTemplateSimple
(
gmx
)
SimulatorBuilder
(
gmx
)
AnalysisDataFrameAverageModule
(
gmx
)
EnumOptionInfo
(
gmx
)
IOptionsContainer
(
gmx
)
OptionsTypeVisitor
(
gmx
)
Site
(
gmx
)
AnalysisDataFrameHeader
(
gmx
)
EwaldBoxZScaler
IOptionsContainerWithSections
(
gmx
)
OptionsVisitor
(
gmx
)
HardwareTopology::Socket
(
gmx
)
AnalysisDataFrameRef
(
gmx
)
ExactTextMatch
(
gmx::test
)
IOutputAdapter
(
gmx
)
OptionTemplate
(
gmx
)
StandardInputStream
(
gmx
)
AnalysisDataHandle
(
gmx
)
ExceptionInfo
(
gmx
)
IProgramContext
(
gmx
)
OptionValueConverterSimple
(
gmx
)
StatePropagatorData
(
gmx
)
AnalysisDataLifetimeModule
(
gmx
)
ExceptionInitializer
(
gmx
)
IRestraintPotential
(
gmx
)
OutputAdapterContainer
(
gmx
)
StaticLog2
(
gmx
)
AnalysisDataModuleManager
(
gmx
)
ExclusionBlock
(
gmx
)
ISerializer
(
gmx
)
OutputRequirementOptionDirector
(
gmx
)
StaticLog2< 0 >
(
gmx
)
AnalysisDataModuleParallel
(
gmx
)
ExponentialDistribution
(
gmx
)
ISignaller
(
gmx
)
OutputRequirements
(
gmx
)
StaticLog2< 1 >
(
gmx
)
AnalysisDataModuleSerial
(
gmx
)
ExponentialMovingAverage
(
gmx
)
ISimulatorElement
(
gmx
)
OutputSelector
(
gmx
)
StdioTestHelper
(
gmx::test
)
AnalysisDataParallelOptions
(
gmx
)
ExponentialMovingAverageState
(
gmx
)
isIntegralConstant
(
gmx
)
OutputSelectorDeathTest
(
gmx::test
)
StepWorkload
(
gmx
)
AnalysisDataPlotModule
(
gmx
)
extents
(
gmx
)
Range::iterator
(
gmx
)
P
StopConditionSignal
(
gmx
)
AnalysisDataPlotSettings
(
gmx
)
extents_analyse< 0 >
(gmx::detail)
ITextBlockMatcher
(
gmx::test
)
StopConditionTime
(
gmx
)
AnalysisDataPointSetRef
(
gmx
)
extents_analyse< R, dynamic_extent, StaticExtents...>
(gmx::detail)
ITextBlockMatcherSettings
(
gmx::test
)
PaddedVector
(
gmx
)
StopHandler
(
gmx
)
AnalysisDataSimpleHistogramModule
(
gmx
)
extents_analyse< R, E0, StaticExtents...>
(gmx::detail)
ITopologyHolderClient
(
gmx
)
PaddingTraits
(gmx::detail)
StopHandlerBuilder
(
gmx
)
AnalysisDataStorage
(
gmx
)
F
ITopologyProvider
(
gmx
)
PageAlignedAllocationPolicy
(
gmx
)
StringCompare
(
gmx
)
AnalysisDataStorageFrame
(
gmx
)
ITrajectorySignallerClient
(
gmx
)
ParallelConsistencyError
(
gmx
)
StringFormatter
(
gmx
)
AnalysisDataTestFixture
(
gmx::test
)
FileIOError
(
gmx
)
ITrajectoryWriterClient
(
gmx
)
UniformRealDistribution::param_type
(
gmx
)
StringInputStream
(
gmx
)
AnalysisDataTestInput
(
gmx::test
)
FileNameOption
(
gmx
)
K
UniformIntDistribution::param_type
(
gmx
)
StringOption
(
gmx
)
AnalysisDataTestInputFrame
(
gmx::test
)
FileNameOptionInfo
(
gmx
)
TabulatedNormalDistribution::param_type
(
gmx
)
StringOptionInfo
(
gmx
)
AnalysisDataTestInputPointSet
(
gmx::test
)
FileNameOptionManager
(
gmx
)
KeyValueTreeBuilder
(
gmx
)
NormalDistribution::param_type
(
gmx
)
StringOutputStream
(
gmx
)
AnalysisDataValue
(
gmx
)
FilteringExactTextMatch
(
gmx::test
)
KeyValueTreeObjectArrayBuilder
(
gmx
)
GammaDistribution::param_type
(
gmx
)
StringTestBase
(
gmx::test
)
AnalysisDataVectorPlotModule
(
gmx
)
FixedCapacityVector
(
gmx
)
KeyValueTreeObjectBuilder
(
gmx
)
ExponentialDistribution::param_type
(
gmx
)
T
AnalysisDataWeightedHistogramModule
(
gmx
)
FlagsTemplate
(
gmx
)
KeyValueTreePath
(
gmx
)
ParrinelloRahmanBarostat
(
gmx
)
AnalysisHistogramSettings
(
gmx
)
FlagTest
(
gmx::test
)
KeyValueTreeTransformRuleBuilder
(
gmx
)
PartialDeserializedTprFile
t_filenm
AnalysisHistogramSettingsInitializer
(
gmx
)
FloatingPointDifference
(
gmx::test
)
KeyValueTreeTransformRulesScoped
(
gmx
)
PbcAiuc
t_mapping
AnalysisNeighborhood
(
gmx
)
FloatingPointTolerance
(
gmx::test
)
KeyValueTreeUniformArrayBuilder
(
gmx
)
PhysicalNodeCommunicator
(
gmx
)
t_matrix
AnalysisNeighborhoodPair
(
gmx
)
FloatOption
(
gmx
)
KeyValueTreeValueBuilder
(
gmx
)
PmeForceSenderGpu
(
gmx
)
t_mdatoms
AnalysisNeighborhoodPairSearch
(
gmx
)
FloatOptionInfo
(
gmx
)
L
PmeLoadBalanceHelper
(
gmx
)
t_pargs
AnalysisNeighborhoodPositions
(
gmx
)
ForceElement
(
gmx
)
PmePpCommGpu
(
gmx
)
t_pbc
AnalysisNeighborhoodSearch
(
gmx
)
ForceOutputs
(
gmx
)
LastStepSignaller
(
gmx
)
GaussianSpreadKernelParameters::PositionAndAmplitude
(
gmx
)
t_state
AnalyticalSplineTableInput
(
gmx
)
ForceProviderInput
(
gmx
)
layout_right
(
gmx
)
PotentialPointData
(
gmx
)
t_xpmelmt
Any
(
gmx
)
ForceProviderOutput
(
gmx
)
LegacyMdrunOptions
(
gmx
)
PpRanks
TabulatedNormalDistribution
(
gmx
)
AnyOutputSupportedFiles
(
gmx::test
)
ForceProviders
(
gmx
)
LocalAtomSet
(
gmx
)
PreprocessingAtomTypes
TestException
(
gmx::test
)
APIError
(
gmx
)
ForceWithShiftForces
(
gmx
)
LocalAtomSetManager
(
gmx
)
PreprocessingBondAtomType
TestFileInputRedirector
(
gmx::test
)
ArrayRef
(
gmx
)
ForceWithVirial
(
gmx
)
LogEntryWriter
(
gmx
)
PreprocessResidue
TestFileManager
(
gmx::test
)
ArrayRefWithPadding
(
gmx
)
FreeEnergyPerturbationElement
(
gmx
)
LoggerBuilder
(
gmx
)
PrivateImplPointer
(
gmx
)
TestFileOutputRedirector
(
gmx::test
)
AtomIterator
G
LoggerOwner
(
gmx
)
Propagator
(
gmx
)
TestOptionsProvider
(
gmx::test
)
AtomProperties
LoggerTestHelper
(
gmx::test
)
ProxyPtr
TestReferenceChecker
(
gmx::test
)
AtomProxy
GammaDistribution
(
gmx
)
LoggingSignaller
(
gmx
)
Q
TestReferenceData
(
gmx::test
)
AtomRange
GaussianSpreadKernelParameters
(
gmx
)
HardwareTopology::LogicalProcessor
(
gmx
)
TextFileMatch
(
gmx::test
)
Awh
(
gmx
)
GaussTransform3D
(
gmx
)
CpuInfo::LogicalProcessor
(
gmx
)
QuadraticSplineTable
(
gmx
)
TextInputFile
(
gmx
)
B
GlobalCommandLineHelpContext
(
gmx
)
LogLevelHelper
(
gmx
)
R
TextInputStream
(
gmx
)
gmx_ana_index_t
M
TextLineWrapper
(
gmx
)
basic_mdspan
(
gmx
)
gmx_ana_indexmap_t
Range
(
gmx
)
TextLineWrapperSettings
(
gmx
)
BasicVector
(
gmx
)
gmx_ana_pos_t
HardwareTopology::Machine
(
gmx
)
RangeError
(
gmx
)
TextOutputFile
(
gmx
)
BenchmarkSystem
(
gmx
)
gmx_ffparams_t
MappedUnionFinder
(
gmx
)
RangePartitioning
(
gmx
)
TextOutputStream
(
gmx
)
BinaryInformationSettings
(
gmx
)
gmx_ga2la_t
layout_right::mapping
(
gmx
)
registerMdModuleNotification< CurrentCallParameter, CallParameter...>
(
gmx
)
TextReader
(
gmx
)
BondedInteraction
gmx_gpu_info_t
MDAtoms
(
gmx
)
RepeatingOptionSection
(
gmx
)
TextTableFormatter
(
gmx
)
BondedInteractionList
gmx_localtop_t
MDLogger
(
gmx
)
RepeatingOptionSectionHandle
(
gmx
)
TextWriter
(
gmx
)
BooleanOption
(
gmx
)
gmx_molblock_t
MdModuleNotification
(
gmx
)
ReplicaExchangeParameters
ThreeFry2x64
(
gmx
)
BooleanOptionInfo
(
gmx
)
gmx_moltype_t
MDModules
(
gmx
)
ResetHandler
(
gmx
)
ThreeFry2x64Fast
(
gmx
)
C
gmx_multisim_t
MdModulesCheckpointReadingBroadcast
(
gmx
)
RestraintManager
(
gmx
)
ThreeFry2x64General
(
gmx
)
gmx_sparsematrix
MdModulesWriteCheckpointData
(
gmx
)
RestraintMDModule
(
gmx
)
TimeUnitBehavior
(
gmx
)
HardwareTopology::Cache
(
gmx
)
GpuEventSynchronizer
Mdrunner
(
gmx
)
S
TimeUnitManager
(
gmx
)
CheckpointHandler
(
gmx
)
GpuHaloExchange
(
gmx
)
MdrunnerBuilder
(
gmx
)
ToleranceError
(
gmx
)
CheckpointHeaderContents
GpuRegionTimerImpl
MessageStringCollector
(
gmx
)
Selection
(
gmx
)
KeyValueTreeTransformRuleBuilder::ToObject
(
gmx
)
CheckpointHelper
(
gmx
)
GpuRegionTimerWrapper
MessageStringContext
(
gmx
)
SelectionCollection
(
gmx
)
TopologyHolder
(
gmx
)
ClfftInitializer
(
gmx
)
GpuTaskAssignments
(
gmx
)
ModularSimulator
(
gmx
)
SelectionFileOption
(
gmx
)
TopologyInformation
(
gmx
)
ClHandle
(
gmx
)
GpuTaskAssignmentsBuilder
(
gmx
)
ModuleSelection
(
gmx::test
)
SelectionFileOptionInfo
(
gmx
)
KeyValueTreeTransformRuleBuilder::ToValue
(
gmx
)
CommandLine
(
gmx::test
)
GpuTaskMapping
(
gmx
)
ModuleTest
(
gmx::test
)
SelectionOption
(
gmx
)
TprAndFileManager
(
gmx::test
)
CommandLineHelpContext
(
gmx
)
GromacsException
(
gmx
)
MoleculeBlockIndices
SelectionOptionBehavior
(
gmx
)
TpxFileHeader
CommandLineHelpWriter
(
gmx
)
H
MoleculeInformation
SelectionOptionInfo
(
gmx
)
TrajectoryAnalysisCommandLineRunner
(
gmx
)
CommandLineModuleGroup
(
gmx
)
MoleculePatch
SelectionOptionManager
(
gmx
)
TrajectoryAnalysisModule
(
gmx
)
CommandLineModuleManager
(
gmx
)
HardwareTopology
(
gmx
)
MoleculePatchDatabase
SelectionPosition
(
gmx
)
TrajectoryAnalysisModuleData
(
gmx
)
CommandLineModuleSettings
(
gmx
)
HashedMap
(
gmx
)
MrcDataStatistics
(
gmx
)
SelectionTopologyProperties
(
gmx
)
TrajectoryAnalysisSettings
(
gmx
)
CommandLineParser
(
gmx
)
HelpLinks
(
gmx
)
MrcDensityMapHeader
(
gmx
)
SetAtoms
(
gmx
)
TrajectoryElement
(
gmx
)
CommandLineProgramContext
(
gmx
)
HelpManager
(
gmx
)
MrcDensityMapOfFloatFromFileReader
(
gmx
)
SetAtomsSupportedFiles
(
gmx::test
)
TrajectoryElementBuilder
(
gmx
)
CommandLineTestBase
(
gmx::test
)
HelpWriterContext
(
gmx
)
MrcDensityMapOfFloatReader
(
gmx
)
SetAtomsUnSupportedFiles
(
gmx::test
)
TrajectoryFileOpener
(
gmx
)
CommandLineTestHelper
(
gmx::test
)
history_t
MrcDensityMapOfFloatWriter
(
gmx
)
SetBox
(
gmx
)
TrajectoryFrameWriter
(
gmx
)
CompositeHelpTopic
(
gmx
)
HostAllocationPolicy
(
gmx
)
MrcDensitySkewData
(
gmx
)
SetForces
(
gmx
)
TranslateAndScale
(
gmx
)
CompositeSimulatorElement
(
gmx
)
HardwareTopology::HWThread
(
gmx
)
MultiDimArray
(
gmx
)
SetForceSupportedFiles
(
gmx::test
)
U
ComputeGlobalsElement
(
gmx
)
I
N
SetForceUnSupportedFiles
(
gmx::test
)
ConfMatch
(
gmx::test
)
SetPrecision
(
gmx
)
UniformIntDistribution
(
gmx
)
Constraints
(
gmx
)
IAnalysisDataModule
(
gmx
)
NeighborSearchSignaller
(
gmx
)
SetPrecisionSupportedFiles
(
gmx::test
)
UniformRealDistribution
(
gmx
)
ConstraintsElement
(
gmx
)
ICheckpointHelperClient
(
gmx
)
no_delete
(
gmx
)
SetPrecisionUnSupportedFiles
(
gmx::test
)
UnionFinder
(
gmx
)
HardwareTopology::Core
(
gmx
)
ICommandLineModule
(
gmx
)
NoContentsMatch
(
gmx::test
)
SetStartTime
(
gmx
)
Update
(
gmx
)
CpuInfo
(
gmx
)
ICommandLineOptionsModule
(
gmx
)
nonbonded_verlet_t
SetTimeStep
(
gmx
)
UpdateGroupsCog
(
gmx
)
CrystallographicLabels
(
gmx
)
ICommandLineOptionsModuleSettings
(
gmx
)
NonbondedBenchmarkInfo
(
gmx
)
SetVelocities
(
gmx
)
UserInputError
(
gmx
)
CubicSplineTable
(
gmx
)
IdentityFormatter
(
gmx
)
NoOptionalOutput
(
gmx::test
)
SetVelocitySupportedFiles
(
gmx::test
)
V
D
IEnergySignallerClient
(
gmx
)
NormalDistribution
(
gmx
)
SetVelocityUnSupportedFiles
(
gmx::test
)
IExecutableEnvironment
(
gmx
)
not_null
(
gmx::compat
)
GaussianSpreadKernelParameters::Shape
(
gmx
)
VRescaleThermostat
(
gmx
)
DataFileFinder
(
gmx
)
IFileInputRedirector
(
gmx
)
NoTextMatch
(
gmx::test
)
ShellFCElement
(
gmx
)
X
DataFileInfo
(
gmx
)
IFileMatcher
(
gmx::test
)
NotImplementedError
(
gmx
)
SignallerBuilder
(
gmx
)
DataFileOptions
(
gmx
)
IFileMatcherSettings
(
gmx::test
)
HardwareTopology::Numa
(
gmx
)
Simd4DBool
(
gmx
)
XvgMatch
(
gmx::test
)
DDBalanceRegionHandler
IFileOutputRedirector
(
gmx
)
HardwareTopology::NumaNode
(
gmx
)
Simd4Double
(
gmx
)
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|
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|
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|
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|
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|
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|
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|
N
|
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|
P
|
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|
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|
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|
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|
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|
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|
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