索引 _ | 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 _ _() (aiida.orm.fields.QbFieldFilters 方法) _()(在 aiida.common.hashing 模块中) _()(在 aiida.orm.convert 模块中) _()(在 aiida.orm.nodes.data.array.array 模块中) _()(在 aiida.orm.nodes.data.bool 模块中) _()(在 aiida.orm.nodes.data.dict 模块中) _()(在 aiida.orm.nodes.data.enum 模块中) _()(在 aiida.orm.nodes.data.float 模块中) _()(在 aiida.orm.nodes.data.int 模块中) _()(在 aiida.orm.nodes.data.list 模块中) _()(在 aiida.orm.nodes.data.str 模块中) _()(在 aiida.storage.psql_dos.orm.convert 模块中) _()(在 aiida.storage.sqlite_zip.orm 模块中) __abs__() (aiida.orm.nodes.data.numeric.NumericType 方法) __abstractmethods__(aiida.calculations.arithmetic.add.ArithmeticAddCalculation 属性) __abstractmethods__(aiida.calculations.importers.arithmetic.add.ArithmeticAddCalculationImporter 属性) __abstractmethods__(aiida.calculations.templatereplacer.TemplatereplacerCalculation 属性) __abstractmethods__(aiida.calculations.transfer.TransferCalculation 属性) __abstractmethods__(aiida.cmdline.params.types.calculation.CalculationParamType 属性) __abstractmethods__(aiida.cmdline.params.types.code.CodeParamType 属性) __abstractmethods__(aiida.cmdline.params.types.computer.ComputerParamType 属性) __abstractmethods__(aiida.cmdline.params.types.data.DataParamType 属性) __abstractmethods__(aiida.cmdline.params.types.group.GroupParamType 属性) __abstractmethods__(aiida.cmdline.params.types.identifier.IdentifierParamType 属性) __abstractmethods__(aiida.cmdline.params.types.node.NodeParamType 属性) __abstractmethods__(aiida.cmdline.params.types.process.ProcessParamType 属性) __abstractmethods__(aiida.cmdline.params.types.workflow.WorkflowParamType 属性) __abstractmethods__(aiida.engine.persistence.AiiDAPersister 属性) __abstractmethods__(aiida.engine.persistence.ObjectLoader 属性) __abstractmethods__(aiida.engine.processes.builder.ProcessBuilder 属性) __abstractmethods__(aiida.engine.processes.builder.ProcessBuilderNamespace 属性) __abstractmethods__(aiida.engine.processes.calcjobs.calcjob.CalcJob 属性) __abstractmethods__(aiida.engine.processes.calcjobs.importer.CalcJobImporter 属性) __abstractmethods__(aiida.engine.processes.functions.FunctionProcess 属性) __abstractmethods__(aiida.engine.processes.functions.ProcessFunctionType 属性) __abstractmethods__(aiida.engine.processes.ports.PortNamespace 属性) __abstractmethods__(aiida.engine.processes.process.Process 属性) __abstractmethods__(aiida.engine.processes.workchains.restart.BaseRestartWorkChain 属性) __abstractmethods__(aiida.engine.processes.workchains.workchain.WorkChain 属性) __abstractmethods__(aiida.manage.configuration.config.ConfigSchema 属性) __abstractmethods__(aiida.manage.configuration.config.ConfigVersionSchema 属性) __abstractmethods__(aiida.manage.configuration.config.GlobalOptionsSchema 属性) __abstractmethods__(aiida.manage.configuration.config.ProcessControlConfig 属性) __abstractmethods__(aiida.manage.configuration.config.ProfileOptionsSchema 属性) __abstractmethods__(aiida.manage.configuration.config.ProfileSchema 属性) __abstractmethods__(aiida.manage.configuration.config.ProfileStorageConfig 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.AbstractStorageAndProcess 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.AddMessageBroker 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.AddPrefixToStorageBackendTypes 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.AddProfileUuid 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.AddTestProfileKey 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.Initial 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.MergeStorageBackendTypes 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.SimplifyDefaultProfiles 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.SimplifyOptions 属性) __abstractmethods__(aiida.manage.configuration.migrations.migrations.SingleMigration 属性) __abstractmethods__(aiida.orm.authinfos.AuthInfo 属性) __abstractmethods__(aiida.orm.authinfos.AuthInfoCollection 属性) __abstractmethods__(aiida.orm.comments.Comment 属性) __abstractmethods__(aiida.orm.comments.CommentCollection 属性) __abstractmethods__(aiida.orm.computers.Computer 属性) __abstractmethods__(aiida.orm.computers.ComputerCollection 属性) __abstractmethods__(aiida.orm.convert.ConvertIterator 属性) __abstractmethods__(aiida.orm.entities.Collection 属性) __abstractmethods__(aiida.orm.entities.Entity 属性) __abstractmethods__(aiida.orm.groups.AutoGroup 属性) __abstractmethods__(aiida.orm.groups.Group 属性) __abstractmethods__(aiida.orm.groups.GroupCollection 属性) __abstractmethods__(aiida.orm.groups.ImportGroup 属性) __abstractmethods__(aiida.orm.groups.UpfFamily 属性) __abstractmethods__(aiida.orm.implementation.authinfos.BackendAuthInfo 属性) __abstractmethods__(aiida.orm.implementation.comments.BackendComment 属性) __abstractmethods__(aiida.orm.implementation.computers.BackendComputer 属性) __abstractmethods__(aiida.orm.implementation.entities.BackendEntity 属性) __abstractmethods__(aiida.orm.implementation.entities.BackendEntityExtrasMixin 属性) __abstractmethods__(aiida.orm.implementation.groups.BackendGroup 属性) __abstractmethods__(aiida.orm.implementation.groups.NodeIterator 属性) __abstractmethods__(aiida.orm.implementation.logs.BackendLog 属性) __abstractmethods__(aiida.orm.implementation.nodes.BackendNode 属性) __abstractmethods__(aiida.orm.implementation.querybuilder.BackendQueryBuilder 属性) __abstractmethods__(aiida.orm.implementation.storage_backend.StorageBackend 属性) __abstractmethods__(aiida.orm.implementation.users.BackendUser 属性) __abstractmethods__(aiida.orm.logs.Log 属性) __abstractmethods__(aiida.orm.logs.LogCollection 属性) __abstractmethods__(aiida.orm.nodes.data.array.array.ArrayData 属性) __abstractmethods__(aiida.orm.nodes.data.array.bands.BandsData 属性) __abstractmethods__(aiida.orm.nodes.data.array.kpoints.KpointsData 属性) __abstractmethods__(aiida.orm.nodes.data.array.projection.ProjectionData 属性) __abstractmethods__(aiida.orm.nodes.data.array.trajectory.TrajectoryData 属性) __abstractmethods__(aiida.orm.nodes.data.array.xy.XyData 属性) __abstractmethods__(aiida.orm.nodes.data.base.BaseType 属性) __abstractmethods__(aiida.orm.nodes.data.bool.Bool 属性) __abstractmethods__(aiida.orm.nodes.data.cif.CifData 属性) __abstractmethods__(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) __abstractmethods__(aiida.orm.nodes.data.code.abstract.AbstractCode.Model 属性) __abstractmethods__(aiida.orm.nodes.data.code.containerized.ContainerizedCode 属性) __abstractmethods__(aiida.orm.nodes.data.code.containerized.ContainerizedCode.Model 属性) __abstractmethods__(aiida.orm.nodes.data.code.installed.InstalledCode 属性) __abstractmethods__(aiida.orm.nodes.data.code.installed.InstalledCode.Model 属性) __abstractmethods__(aiida.orm.nodes.data.code.legacy.Code 属性) __abstractmethods__(aiida.orm.nodes.data.code.portable.PortableCode 属性) __abstractmethods__(aiida.orm.nodes.data.code.portable.PortableCode.Model 属性) __abstractmethods__(aiida.orm.nodes.data.data.Data 属性) __abstractmethods__(aiida.orm.nodes.data.dict.Dict 属性) __abstractmethods__(aiida.orm.nodes.data.enum.EnumData 属性) __abstractmethods__(aiida.orm.nodes.data.float.Float 属性) __abstractmethods__(aiida.orm.nodes.data.folder.FolderData 属性) __abstractmethods__(aiida.orm.nodes.data.int.Int 属性) __abstractmethods__(aiida.orm.nodes.data.jsonable.JsonableData 属性) __abstractmethods__(aiida.orm.nodes.data.jsonable.JsonSerializableProtocol 属性) __abstractmethods__(aiida.orm.nodes.data.list.List 属性) __abstractmethods__(aiida.orm.nodes.data.numeric.NumericType 属性) __abstractmethods__(aiida.orm.nodes.data.orbital.OrbitalData 属性) __abstractmethods__(aiida.orm.nodes.data.remote.base.RemoteData 属性) __abstractmethods__(aiida.orm.nodes.data.remote.stash.base.RemoteStashData 属性) __abstractmethods__(aiida.orm.nodes.data.remote.stash.folder.RemoteStashFolderData 属性) __abstractmethods__(aiida.orm.nodes.data.singlefile.SinglefileData 属性) __abstractmethods__(aiida.orm.nodes.data.str.Str 属性) __abstractmethods__(aiida.orm.nodes.data.structure.StructureData 属性) __abstractmethods__(aiida.orm.nodes.data.upf.UpfData 属性) __abstractmethods__(aiida.orm.nodes.node.Node 属性) __abstractmethods__(aiida.orm.nodes.node.NodeCollection 属性) __abstractmethods__(aiida.orm.nodes.process.calculation.calcfunction.CalcFunctionNode 属性) __abstractmethods__(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) __abstractmethods__(aiida.orm.nodes.process.calculation.calculation.CalculationNode 属性) __abstractmethods__(aiida.orm.nodes.process.process.ProcessNode 属性) __abstractmethods__(aiida.orm.nodes.process.workflow.workchain.WorkChainNode 属性) __abstractmethods__(aiida.orm.nodes.process.workflow.workflow.WorkflowNode 属性) __abstractmethods__(aiida.orm.nodes.process.workflow.workfunction.WorkFunctionNode 属性) __abstractmethods__(aiida.orm.users.User 属性) __abstractmethods__(aiida.orm.users.UserCollection 属性) __abstractmethods__(aiida.orm.utils.serialize._MappingType 属性) __abstractmethods__(aiida.parsers.parser.Parser 属性) __abstractmethods__(aiida.parsers.plugins.arithmetic.add.ArithmeticAddParser 属性) __abstractmethods__(aiida.parsers.plugins.arithmetic.add.SimpleArithmeticAddParser 属性) __abstractmethods__(aiida.parsers.plugins.templatereplacer.parser.TemplatereplacerParser 属性) __abstractmethods__(aiida.repository.backend.abstract.AbstractRepositoryBackend 属性) __abstractmethods__(aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 属性) __abstractmethods__(aiida.repository.backend.sandbox.SandboxRepositoryBackend 属性) __abstractmethods__(aiida.restapi.common.identifiers.Namespace 属性) __abstractmethods__(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) __abstractmethods__(aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.DataTranslator.Data 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 属性) __abstractmethods__(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 属性) __abstractmethods__(aiida.restapi.translator.nodes.process.calculation.calcfunction.CalcFunctionTranslator.CalcFunctionNode 属性) __abstractmethods__(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) __abstractmethods__(aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 属性) __abstractmethods__(aiida.restapi.translator.nodes.process.workflow.workchain.WorkChainTranslator.WorkChainNode 属性) __abstractmethods__(aiida.restapi.translator.nodes.process.workflow.workfunction.WorkFunctionTranslator.WorkFunctionNode 属性) __abstractmethods__(aiida.schedulers.datastructures.JobResource 属性) __abstractmethods__(aiida.schedulers.datastructures.NodeNumberJobResource 属性) __abstractmethods__(aiida.schedulers.datastructures.ParEnvJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.direct.DirectJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.direct.DirectScheduler 属性) __abstractmethods__(aiida.schedulers.plugins.lsf.LsfJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.lsf.LsfScheduler 属性) __abstractmethods__(aiida.schedulers.plugins.pbsbaseclasses.PbsBaseClass 属性) __abstractmethods__(aiida.schedulers.plugins.pbsbaseclasses.PbsJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.pbspro.PbsproScheduler 属性) __abstractmethods__(aiida.schedulers.plugins.sge.SgeJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.sge.SgeScheduler 属性) __abstractmethods__(aiida.schedulers.plugins.slurm.SlurmJobResource 属性) __abstractmethods__(aiida.schedulers.plugins.slurm.SlurmScheduler 属性) __abstractmethods__(aiida.schedulers.plugins.torque.TorqueScheduler 属性) __abstractmethods__(aiida.schedulers.scheduler.Scheduler 属性) __abstractmethods__(aiida.storage.psql_dos.backend.PsqlDosBackend 属性) __abstractmethods__(aiida.storage.psql_dos.backend.PsqlDosBackend.Model 属性) __abstractmethods__(aiida.storage.psql_dos.migrations.utils.utils.NoopRepositoryBackend 属性) __abstractmethods__(aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 属性) __abstractmethods__(aiida.storage.psql_dos.orm.comments.SqlaComment 属性) __abstractmethods__(aiida.storage.psql_dos.orm.computers.SqlaComputer 属性) __abstractmethods__(aiida.storage.psql_dos.orm.groups.SqlaGroup 属性) __abstractmethods__(aiida.storage.psql_dos.orm.logs.SqlaLog 属性) __abstractmethods__(aiida.storage.psql_dos.orm.nodes.SqlaNode 属性) __abstractmethods__(aiida.storage.psql_dos.orm.querybuilder.joiner._EntityMapper 属性) __abstractmethods__(aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 属性) __abstractmethods__(aiida.storage.psql_dos.orm.users.SqlaUser 属性) __abstractmethods__(aiida.storage.sqlite_dos.backend.SqliteDosStorage 属性) __abstractmethods__(aiida.storage.sqlite_dos.backend.SqliteDosStorage.Model 属性) __abstractmethods__(aiida.storage.sqlite_temp.backend.SandboxShaRepositoryBackend 属性) __abstractmethods__(aiida.storage.sqlite_temp.backend.SqliteTempBackend 属性) __abstractmethods__(aiida.storage.sqlite_temp.backend.SqliteTempBackend.Model 属性) __abstractmethods__(aiida.storage.sqlite_zip.backend._RoBackendRepository 属性) __abstractmethods__(aiida.storage.sqlite_zip.backend.FolderBackendRepository 属性) __abstractmethods__(aiida.storage.sqlite_zip.backend.SqliteZipBackend 属性) __abstractmethods__(aiida.storage.sqlite_zip.backend.SqliteZipBackend.Model 属性) __abstractmethods__(aiida.storage.sqlite_zip.backend.ZipfileBackendRepository 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteAuthInfo 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteComment 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteComputer 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteGroup 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteLog 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteNode 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteQueryBuilder 属性) __abstractmethods__(aiida.storage.sqlite_zip.orm.SqliteUser 属性) __abstractmethods__(aiida.tools.archive.abstract.ArchiveFormatAbstract 属性) __abstractmethods__(aiida.tools.archive.abstract.ArchiveReaderAbstract 属性) __abstractmethods__(aiida.tools.archive.abstract.ArchiveWriterAbstract 属性) __abstractmethods__(aiida.tools.archive.implementations.sqlite_zip.main.ArchiveFormatSqlZip 属性) __abstractmethods__(aiida.tools.archive.implementations.sqlite_zip.reader.ArchiveReaderSqlZip 属性) __abstractmethods__(aiida.tools.archive.implementations.sqlite_zip.writer.ArchiveAppenderSqlZip 属性) __abstractmethods__(aiida.tools.archive.implementations.sqlite_zip.writer.ArchiveWriterSqlZip 属性) __abstractmethods__(aiida.tools.graph.age_entities.AbstractSetContainer 属性) __abstractmethods__(aiida.tools.graph.age_entities.AiidaEntitySet 属性) __abstractmethods__(aiida.tools.graph.age_entities.DirectedEdgeSet 属性) __abstractmethods__(aiida.tools.graph.age_rules.Operation 属性) __abstractmethods__(aiida.tools.graph.age_rules.QueryRule 属性) __abstractmethods__(aiida.tools.graph.age_rules.ReplaceRule 属性) __abstractmethods__(aiida.tools.graph.age_rules.RuleSaveWalkers 属性) __abstractmethods__(aiida.tools.graph.age_rules.RuleSequence 属性) __abstractmethods__(aiida.tools.graph.age_rules.RuleSetWalkers 属性) __abstractmethods__(aiida.tools.graph.age_rules.UpdateRule 属性) __abstractmethods__(aiida.tools.visualization.graph.LinkStyleFunc 属性) __abstractmethods__(aiida.transports.plugins.local.LocalTransport 属性) __abstractmethods__(aiida.transports.plugins.ssh.SshTransport 属性) __abstractmethods__(aiida.transports.transport.Transport 属性) __abstractmethods__(aiida.workflows.arithmetic.multiply_add.MultiplyAddWorkChain 属性) __add__() (aiida.orm.nodes.data.numeric.NumericType 方法) __add__() (aiida.tools.graph.age_entities.AbstractSetContainer 方法) __add__() (aiida.tools.graph.age_entities.Basket 方法) __all__(aiida.cmdline 属性) __all__(aiida.cmdline.params.arguments 属性) __all__(aiida.cmdline.params.options 属性) __all__(aiida.common 属性) __all__(aiida.engine 属性) __all__(aiida.manage 属性) __all__(aiida.orm 属性) __all__(aiida.parsers 属性) __all__(aiida.plugins 属性) __all__(aiida.schedulers 属性) __all__(aiida.tools 属性) __all__(aiida.transports 属性) __and__() (aiida.orm.fields.QbFieldFilters 方法) __annotations__(aiida.brokers.rabbitmq.broker.RabbitmqBroker 属性) __annotations__(aiida.calculations.arithmetic.add.ArithmeticAddCalculation 属性) __annotations__(aiida.calculations.templatereplacer.TemplatereplacerCalculation 属性) __annotations__(aiida.calculations.transfer.TransferCalculation 属性) __annotations__(aiida.cmdline.commands.cmd_computer.LazyConfigureGroup 属性) __annotations__(aiida.cmdline.groups.dynamic.DynamicEntryPointCommandGroup 属性) __annotations__(aiida.cmdline.groups.verdi.VerdiCommandGroup 属性) __annotations__(aiida.cmdline.groups.verdi.VerdiContext 属性) __annotations__(aiida.cmdline.params.options.conditional.ConditionalOption 属性) __annotations__(aiida.cmdline.params.options.interactive.InteractiveOption 属性) __annotations__(aiida.cmdline.params.options.interactive.TemplateInteractiveOption 属性) __annotations__(aiida.cmdline.params.options.multivalue.MultipleValueOption 属性) __annotations__(aiida.cmdline.params.options.overridable.OverridableOption 属性) __annotations__(aiida.cmdline.params.types.calculation.CalculationParamType 属性) __annotations__(aiida.cmdline.params.types.choice.LazyChoice 属性) __annotations__(aiida.cmdline.params.types.code.CodeParamType 属性) __annotations__(aiida.cmdline.params.types.computer.ComputerParamType 属性) __annotations__(aiida.cmdline.params.types.computer.MpirunCommandParamType 属性) __annotations__(aiida.cmdline.params.types.computer.ShebangParamType 属性) __annotations__(aiida.cmdline.params.types.config.ConfigOptionParamType 属性) __annotations__(aiida.cmdline.params.types.data.DataParamType 属性) __annotations__(aiida.cmdline.params.types.group.GroupParamType 属性) __annotations__(aiida.cmdline.params.types.identifier.IdentifierParamType 属性) __annotations__(aiida.cmdline.params.types.multiple.MultipleValueParamType 属性) __annotations__(aiida.cmdline.params.types.node.NodeParamType 属性) __annotations__(aiida.cmdline.params.types.path.AbsolutePathOrEmptyParamType 属性) __annotations__(aiida.cmdline.params.types.path.AbsolutePathParamType 属性) __annotations__(aiida.cmdline.params.types.path.FileOrUrl 属性) __annotations__(aiida.cmdline.params.types.path.PathOrUrl 属性) __annotations__(aiida.cmdline.params.types.plugin.PluginParamType 属性) __annotations__(aiida.cmdline.params.types.process.ProcessParamType 属性) __annotations__(aiida.cmdline.params.types.profile.ProfileParamType 属性) __annotations__(aiida.cmdline.params.types.strings.EmailType 属性) __annotations__(aiida.cmdline.params.types.strings.EntryPointType 属性) __annotations__(aiida.cmdline.params.types.strings.HostnameType 属性) __annotations__(aiida.cmdline.params.types.strings.LabelStringType 属性) __annotations__(aiida.cmdline.params.types.strings.NonEmptyStringParamType 属性) __annotations__(aiida.cmdline.params.types.user.UserParamType 属性) __annotations__(aiida.cmdline.params.types.workflow.WorkflowParamType 属性) __annotations__(aiida.cmdline.utils.pluginable.Pluginable 属性) __annotations__(aiida.common.datastructures.CalcInfo 属性) __annotations__(aiida.common.datastructures.CodeInfo 属性) __annotations__(aiida.common.exceptions.AiidaException 属性) __annotations__(aiida.common.exceptions.CircusCallError 属性) __annotations__(aiida.common.exceptions.ClosedStorage 属性) __annotations__(aiida.common.exceptions.ConfigurationError 属性) __annotations__(aiida.common.exceptions.ConfigurationVersionError 属性) __annotations__(aiida.common.exceptions.ContentNotExistent 属性) __annotations__(aiida.common.exceptions.CorruptStorage 属性) __annotations__(aiida.common.exceptions.DatabaseMigrationError 属性) __annotations__(aiida.common.exceptions.DbContentError 属性) __annotations__(aiida.common.exceptions.EntryPointError 属性) __annotations__(aiida.common.exceptions.FailedError 属性) __annotations__(aiida.common.exceptions.FeatureDisabled 属性) __annotations__(aiida.common.exceptions.FeatureNotAvailable 属性) __annotations__(aiida.common.exceptions.HashingError 属性) __annotations__(aiida.common.exceptions.IncompatibleDatabaseSchema 属性) __annotations__(aiida.common.exceptions.IncompatibleStorageSchema 属性) __annotations__(aiida.common.exceptions.InputValidationError 属性) __annotations__(aiida.common.exceptions.IntegrityError 属性) __annotations__(aiida.common.exceptions.InternalError 属性) __annotations__(aiida.common.exceptions.InvalidEntryPointTypeError 属性) __annotations__(aiida.common.exceptions.InvalidOperation 属性) __annotations__(aiida.common.exceptions.LicensingException 属性) __annotations__(aiida.common.exceptions.LoadingEntryPointError 属性) __annotations__(aiida.common.exceptions.LockedProfileError 属性) __annotations__(aiida.common.exceptions.LockingProfileError 属性) __annotations__(aiida.common.exceptions.MissingConfigurationError 属性) __annotations__(aiida.common.exceptions.MissingEntryPointError 属性) __annotations__(aiida.common.exceptions.ModificationNotAllowed 属性) __annotations__(aiida.common.exceptions.MultipleEntryPointError 属性) 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(aiida.tools.dbimporters.plugins.cod.CodSearchResults 方法) _get_source_dict() (aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectSearchResults 方法) _get_source_dict() (aiida.tools.dbimporters.plugins.mpds.MpdsSearchResults 方法) _get_source_dict() (aiida.tools.dbimporters.plugins.mpod.MpodSearchResults 方法) _get_source_dict() (aiida.tools.dbimporters.plugins.nninc.NnincSearchResults 方法) _get_source_dict() (aiida.tools.dbimporters.plugins.oqmd.OqmdSearchResults 方法) _get_subclasses() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) _get_submit_command() (aiida.schedulers.plugins.direct.DirectScheduler 方法) _get_submit_command() (aiida.schedulers.plugins.lsf.LsfScheduler 方法) _get_submit_command() (aiida.schedulers.plugins.pbsbaseclasses.PbsBaseClass 方法) _get_submit_command() (aiida.schedulers.plugins.sge.SgeScheduler 方法) _get_submit_command() (aiida.schedulers.plugins.slurm.SlurmScheduler 方法) _get_submit_command() (aiida.schedulers.scheduler.Scheduler 方法) 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_has_uuid(aiida.restapi.resources.Computer.ComputerTranslator 属性) _has_uuid(aiida.restapi.resources.Group.GroupTranslator 属性) _has_uuid(aiida.restapi.resources.User.UserTranslator 属性) _has_uuid(aiida.restapi.translator.base.BaseTranslator 属性) _has_uuid(aiida.restapi.translator.computer.ComputerTranslator 属性) _has_uuid(aiida.restapi.translator.group.GroupTranslator 属性) _has_uuid(aiida.restapi.translator.nodes.node.NodeTranslator 属性) _has_uuid(aiida.restapi.translator.user.UserTranslator 属性) _HASH_EXTRA_KEY(aiida.orm.nodes.caching.NodeCaching 属性) _hash_ignored_attributes(aiida.orm.nodes.node.Node 属性) _hash_ignored_attributes(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) _hash_ignored_attributes(aiida.orm.nodes.process.process.ProcessNode 属性) _hash_ignored_attributes(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) _hash_ignored_attributes(aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 属性) 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_is_protocol(aiida.manage.configuration.migrations.migrations.AddMessageBroker 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.AddPrefixToStorageBackendTypes 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.AddProfileUuid 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.AddTestProfileKey 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.Initial 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.MergeStorageBackendTypes 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.SimplifyDefaultProfiles 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.SimplifyOptions 属性) _is_protocol(aiida.manage.configuration.migrations.migrations.SingleMigration 属性) _is_protocol(aiida.orm.implementation.groups.NodeIterator 属性) _is_protocol(aiida.orm.nodes.data.jsonable.JsonSerializableProtocol 属性) _is_protocol(aiida.orm.utils.serialize._MappingType 属性) 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(aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_comment() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_computer() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_descendants_recursive() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_group() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_inputs() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_log() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_outputs() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_node_user() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_user_authinfo() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_user_comment() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_user_group() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _join_user_node() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) _json_to_sqlite()(在 aiida.storage.sqlite_zip.migrations.legacy_to_main 模块中) _KEY_ATTRIBUTE_APPEND_TEXT(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_ATTRIBUTE_DEFAULT_CALC_JOB_PLUGIN(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_ATTRIBUTE_ENGINE_COMMAND(aiida.orm.nodes.data.code.containerized.ContainerizedCode 属性) _KEY_ATTRIBUTE_FILEPATH_EXECUTABLE(aiida.orm.nodes.data.code.installed.InstalledCode 属性) _KEY_ATTRIBUTE_FILEPATH_EXECUTABLE(aiida.orm.nodes.data.code.portable.PortableCode 属性) _KEY_ATTRIBUTE_IMAGE_NAME(aiida.orm.nodes.data.code.containerized.ContainerizedCode 属性) _KEY_ATTRIBUTE_PREPEND_TEXT(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_ATTRIBUTE_USE_DOUBLE_QUOTES(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_ATTRIBUTE_WITH_MPI(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_ATTRIBUTE_WRAP_CMDLINE_PARAMS(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_CONFIG(aiida.cmdline.groups.verdi.LazyVerdiObjAttributeDict 属性) _KEY_EXTRA_IS_HIDDEN(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _KEY_PROFILE(aiida.cmdline.groups.verdi.LazyVerdiObjAttributeDict 属性) _keywords(aiida.tools.dbimporters.plugins.cod.CodDbImporter 属性) _keywords(aiida.tools.dbimporters.plugins.mpod.MpodDbImporter 属性) _keywords(aiida.tools.dbimporters.plugins.nninc.NnincDbImporter 属性) _keywords(aiida.tools.dbimporters.plugins.oqmd.OqmdDbImporter 属性) _keywords(aiida.tools.dbimporters.plugins.pcod.PcodDbImporter 属性) _key(aiida.orm.fields.QbArrayField 属性) _key(aiida.orm.fields.QbAttrField 属性) _key(aiida.orm.fields.QbDictField 属性) _key(aiida.orm.fields.QbField 属性) _key(aiida.orm.fields.QbNumericField 属性) _key(aiida.orm.fields.QbStrField 属性) _kill_job() (aiida.engine.processes.calcjobs.tasks.Waiting 方法) _label_validator()(aiida.orm.computers.Computer 类方法) _launch_task() (aiida.engine.processes.calcjobs.tasks.Waiting 方法) _left_operator()(在 aiida.orm.nodes.data.numeric 模块中) _legacy_get_explicit_kpoints_path()(在 aiida.tools.data.array.kpoints.main 模块中) _legacy_get_kpoints_path()(在 aiida.tools.data.array.kpoints.main 模块中) _length_clause() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) _length_clause() (aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 方法) _license(aiida.tools.dbimporters.baseclasses.DbEntry 属性) _license(aiida.tools.dbimporters.plugins.cod.CodEntry 属性) _license(aiida.tools.dbimporters.plugins.icsd.IcsdEntry 属性) _license(aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectCifEntry 属性) _license(aiida.tools.dbimporters.plugins.pcod.PcodEntry 属性) _license(aiida.tools.dbimporters.plugins.tcod.TcodEntry 属性) _LIST_KEY(aiida.orm.nodes.data.list.List 属性) _load_and_verify() (aiida.restapi.resources.BaseResource 方法) _load_node() (aiida.tools.visualization.graph.Graph 方法) _load_results() (aiida.orm.utils.calcjob.CalcJobResultManager 方法) _load_results() (aiida.tools.graph.age_rules.QueryRule 方法) _local_listdir() (aiida.transports.plugins.local.LocalTransport 方法) _local_listdir()(aiida.transports.plugins.ssh.SshTransport 静态方法) _logger(aiida.orm.computers.Computer 属性) _logger(aiida.orm.implementation.computers.BackendComputer 属性) _logger(aiida.orm.nodes.data.array.array.ArrayData 属性) _logger(aiida.orm.nodes.data.array.bands.BandsData 属性) _logger(aiida.orm.nodes.data.array.kpoints.KpointsData 属性) _logger(aiida.orm.nodes.data.array.projection.ProjectionData 属性) _logger(aiida.orm.nodes.data.array.trajectory.TrajectoryData 属性) _logger(aiida.orm.nodes.data.array.xy.XyData 属性) _logger(aiida.orm.nodes.data.base.BaseType 属性) _logger(aiida.orm.nodes.data.bool.Bool 属性) _logger(aiida.orm.nodes.data.cif.CifData 属性) _logger(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) _logger(aiida.orm.nodes.data.code.containerized.ContainerizedCode 属性) _logger(aiida.orm.nodes.data.code.installed.InstalledCode 属性) _logger(aiida.orm.nodes.data.code.legacy.Code 属性) _logger(aiida.orm.nodes.data.code.portable.PortableCode 属性) _logger(aiida.orm.nodes.data.data.Data 属性) _logger(aiida.orm.nodes.data.dict.Dict 属性) _logger(aiida.orm.nodes.data.enum.EnumData 属性) _logger(aiida.orm.nodes.data.float.Float 属性) _logger(aiida.orm.nodes.data.folder.FolderData 属性) _logger(aiida.orm.nodes.data.int.Int 属性) _logger(aiida.orm.nodes.data.jsonable.JsonableData 属性) _logger(aiida.orm.nodes.data.list.List 属性) _logger(aiida.orm.nodes.data.numeric.NumericType 属性) _logger(aiida.orm.nodes.data.orbital.OrbitalData 属性) _logger(aiida.orm.nodes.data.remote.base.RemoteData 属性) _logger(aiida.orm.nodes.data.remote.stash.base.RemoteStashData 属性) _logger(aiida.orm.nodes.data.remote.stash.folder.RemoteStashFolderData 属性) _logger(aiida.orm.nodes.data.singlefile.SinglefileData 属性) _logger(aiida.orm.nodes.data.str.Str 属性) _logger(aiida.orm.nodes.data.structure.StructureData 属性) _logger(aiida.orm.nodes.data.upf.UpfData 属性) _logger(aiida.orm.nodes.node.Node 属性) _logger(aiida.orm.nodes.process.calculation.calcfunction.CalcFunctionNode 属性) _logger(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) _logger(aiida.orm.nodes.process.calculation.calculation.CalculationNode 属性) _logger(aiida.orm.nodes.process.process.ProcessNode 属性) _logger(aiida.orm.nodes.process.workflow.workchain.WorkChainNode 属性) _logger(aiida.orm.nodes.process.workflow.workflow.WorkflowNode 属性) _logger(aiida.orm.nodes.process.workflow.workfunction.WorkFunctionNode 属性) _logger(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) _logger(aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 属性) _logger(aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 属性) _logger(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 属性) _logger(aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 属性) _logger(aiida.restapi.translator.nodes.data.DataTranslator.Data 属性) _logger(aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 属性) _logger(aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 属性) _logger(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 属性) _logger(aiida.restapi.translator.nodes.process.calculation.calcfunction.CalcFunctionTranslator.CalcFunctionNode 属性) _logger(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) _logger(aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 属性) _logger(aiida.restapi.translator.nodes.process.workflow.workchain.WorkChainTranslator.WorkChainNode 属性) _logger(aiida.restapi.translator.nodes.process.workflow.workfunction.WorkFunctionTranslator.WorkFunctionNode 属性) _logger(aiida.schedulers.plugins.direct.DirectScheduler 属性) _logger(aiida.schedulers.plugins.lsf.LsfScheduler 属性) _logger(aiida.schedulers.plugins.sge.SgeScheduler 属性) _logger(aiida.schedulers.plugins.slurm.SlurmScheduler 属性) _logger(aiida.schedulers.scheduler.Scheduler 属性) _MAGIC_CHECK(aiida.transports.transport.Transport 属性) _make()(aiida.common.links.GraphTraversalRule 类方法) _make()(aiida.engine.processes.exit_code.ExitCode 类方法) _make()(aiida.engine.processes.workchains.utils.ProcessHandlerReport 类方法) _make()(aiida.engine.runners.ResultAndNode 类方法) _make()(aiida.engine.runners.ResultAndPk 类方法) _make()(aiida.orm.querybuilder.Classifier 类方法) _make()(aiida.orm.utils.links.LinkPair 类方法) _make()(aiida.orm.utils.links.LinkQuadruple 类方法) _make()(aiida.orm.utils.links.LinkTriple 类方法) _make()(aiida.storage.psql_dos.migrations.utils.calc_state.StateMapping 类方法) _make()(aiida.tools.graph.age_entities.GroupNodeEdge 类方法) _make()(aiida.tools.groups.paths.WalkNodeResult 类方法) _make_hash()(在 aiida.common.hashing 模块中) _make_import_group()(在 aiida.tools.archive.imports 模块中) _map_status(aiida.schedulers.plugins.pbsbaseclasses.PbsBaseClass 属性) _MappingType(aiida.orm.utils.serialize 中的类) _match_wildcard()(在 aiida.manage.caching 模块中) _matches()(aiida.orm.autogroup.AutogroupManager 静态方法) _material_base_url(aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectSearchResults 属性) _matplotlib_get_dict() (aiida.orm.nodes.data.array.bands.BandsData 方法) _matplotlib_get_dict() (aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 方法) _MAX_EXEC_COMMAND_LOG_SIZE(aiida.transports.plugins.ssh.SshTransport 属性) _merge() (aiida.engine.processes.builder.ProcessBuilderNamespace 方法) _merge_deprecated_cache_yaml()(在 aiida.manage.configuration 模块中) _merge_node_extras()(在 aiida.tools.archive.imports 模块中) _metadata(aiida.storage.psql_dos.models.authinfo.DbAuthInfo 属性) _metadata(aiida.storage.psql_dos.models.computer.DbComputer 属性) _metadata(aiida.storage.psql_dos.models.log.DbLog 属性) _metadata(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbAuthInfo 属性) _metadata(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComputer 属性) _metadata(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbLog 属性) _metadata(aiida.storage.sqlite_zip.models.DbAuthInfo 属性) _metadata(aiida.storage.sqlite_zip.models.DbComputer 属性) _metadata(aiida.storage.sqlite_zip.models.DbLog 属性) _migration_context() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) _migration_context()(在 aiida.storage.sqlite_zip.migrator 模块中) _model(aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 属性) _model(aiida.storage.psql_dos.orm.comments.SqlaComment 属性) _model(aiida.storage.psql_dos.orm.computers.SqlaComputer 属性) _model(aiida.storage.psql_dos.orm.entities.SqlaModelEntity 属性) _model(aiida.storage.psql_dos.orm.groups.SqlaGroup 属性) _model(aiida.storage.psql_dos.orm.logs.SqlaLog 属性) _model(aiida.storage.psql_dos.orm.nodes.SqlaNode 属性) _model(aiida.storage.psql_dos.orm.users.SqlaUser 属性) 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_valid_auth_params(aiida.transports.transport.Transport 属性) _VALID_CACHE_KEY(aiida.orm.nodes.caching.NodeCaching 属性) _valid_connect_options(aiida.transports.plugins.ssh.SshTransport 属性) _valid_connect_params(aiida.transports.plugins.ssh.SshTransport 属性) _valid_fields(aiida.common.extendeddicts.FixedFieldsAttributeDict 属性) _valid_fields(aiida.transports.util.FileAttribute 属性) _VALID_PROJECTION_KEYS(aiida.orm.querybuilder.QueryBuilder 属性) _valid_projections(aiida.tools.query.calculation.CalculationQueryBuilder 属性) _valid_projections(aiida.tools.query.mapping.ProjectionMapper 属性) _validate() (aiida.orm.nodes.data.array.array.ArrayData 方法) _validate() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) _validate() (aiida.orm.nodes.data.cif.CifData 方法) _validate() (aiida.orm.nodes.data.code.installed.InstalledCode 方法) _validate() (aiida.orm.nodes.data.code.legacy.Code 方法) _validate() (aiida.orm.nodes.data.code.portable.PortableCode 方法) _validate() (aiida.orm.nodes.data.remote.base.RemoteData 方法) _validate() (aiida.orm.nodes.data.singlefile.SinglefileData 方法) _validate() (aiida.orm.nodes.data.structure.StructureData 方法) _validate() (aiida.orm.nodes.data.upf.UpfData 方法) _validate() (aiida.orm.nodes.node.Node 方法) _validate() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) _validate() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) _validate() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) _validate() (aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 方法) _validate_bands_occupations() (aiida.orm.nodes.data.array.bands.BandsData 方法) _validate_bands_occupations() (aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 方法) _validate_dimensionality()(在 aiida.orm.nodes.data.structure 模块中) _validate_entry_point()(aiida.manage.tests.pytest_fixtures.EntryPointManager 静态方法) _validate_entry_point()(aiida.tools.pytest_fixtures.entry_points.EntryPointManager 静态方法) _validate_identifier_pattern()(在 aiida.manage.caching 模块中) _validate_keys() (aiida.tools.data.orbital.orbital.Orbital 方法) _validate_keys() (aiida.tools.data.orbital.realhydrogen.RealhydrogenOrbital 方法) _validate_kpoints_weights() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) _validate_kpoints_weights() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) _validate_or_init_backup_folder() (aiida.orm.implementation.storage_backend.StorageBackend 方法) _validate_path() (aiida.tools.groups.paths.GroupPath 方法) _validate_retrieval_directive()(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 静态方法) _validate_retrieval_directive()(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 静态方法) _validate_retrieval_directive()(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 静态方法) _validate_storability() (aiida.orm.nodes.node.Node 方法) _values(aiida.orm.nodes.data.cif.CifData 属性) _values(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 属性) _var_keyword(aiida.engine.processes.functions.FunctionProcess 属性) _var_positional(aiida.engine.processes.functions.FunctionProcess 属性) _verdi_bin(aiida.engine.daemon.client.DaemonClient 属性) _verify_api_key() (aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectImporter 方法) _verify_are_parents_stored() (aiida.orm.nodes.node.Node 方法) _version(aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectSearchResults 属性) _volume_clause() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) _volume_clause() (aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 方法) _workdir_validator()(aiida.orm.computers.Computer 类方法) _wrap_bare_dict_inputs() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) _write_backup_config() (aiida.orm.implementation.storage_backend.StorageBackend 方法) _zipfile(aiida.storage.sqlite_zip.backend.ZipfileBackendRepository 属性) A AbsolutePathOrEmptyParamType(aiida.cmdline.params.types.path 中的类) AbsolutePathParamType(aiida.cmdline.params.types.path 中的类) abspath(aiida.common.folders.Folder 属性) AbstractCode.Model(aiida.orm.nodes.data.code.abstract 中的类) AbstractCode(aiida.orm.nodes.data.code.abstract 中的类) AbstractNodeMeta(aiida.orm.utils.node 中的类) AbstractRepositoryBackend(aiida.repository.backend.abstract 中的类) AbstractSetContainer(aiida.tools.graph.age_entities 中的类) AbstractStorageAndProcess(aiida.manage.configuration.migrations.migrations 中的类) accepts_default_memory_per_machine()(aiida.schedulers.datastructures.JobResource 类方法) accepts_default_memory_per_machine()(aiida.schedulers.plugins.direct.DirectJobResource 类方法) accepts_default_mpiprocs_per_machine()(aiida.schedulers.datastructures.JobResource 类方法) accepts_default_mpiprocs_per_machine()(aiida.schedulers.datastructures.NodeNumberJobResource 类方法) accepts_default_mpiprocs_per_machine()(aiida.schedulers.datastructures.ParEnvJobResource 类方法) accepts_default_mpiprocs_per_machine()(aiida.schedulers.plugins.lsf.LsfJobResource 类方法) action(aiida.engine.processes.calcjobs.monitors.CalcJobMonitorResult 属性) active_process_states()(在 aiida.cmdline.params.options.main 模块中) add() (aiida.manage.tests.pytest_fixtures.EntryPointManager 方法) add() (aiida.orm.nodes.comments.NodeComments 方法) add() (aiida.orm.querybuilder._QueryTagMap 方法) add() (aiida.tools.pytest_fixtures.entry_points.EntryPointManager 方法) add() (aiida.workflows.arithmetic.multiply_add.MultiplyAddWorkChain 方法) add()(在 aiida.workflows.arithmetic.add_multiply 模块中) add_edge() (aiida.tools.visualization.graph.Graph 方法) add_entities() (aiida.tools.graph.age_entities.AbstractSetContainer 方法) add_field()(在 aiida.orm.fields 模块中) add_filter() (aiida.orm.querybuilder.QueryBuilder 方法) add_filters() (aiida.orm.fields.QbFieldFilters 方法) add_incoming() (aiida.orm.implementation.nodes.BackendNode 方法) add_incoming() (aiida.orm.nodes.links.NodeLinks 方法) add_incoming() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) add_incoming() (aiida.tools.visualization.graph.Graph 方法) add_multiply()(在 aiida.workflows.arithmetic.add_multiply 模块中) add_node() (aiida.tools.visualization.graph.Graph 方法) add_nodes() (aiida.orm.groups.Group 方法) add_nodes() (aiida.orm.implementation.groups.BackendGroup 方法) add_nodes() (aiida.storage.psql_dos.orm.groups.SqlaGroup 方法) add_origin_to_targets() (aiida.tools.visualization.graph.Graph 方法) add_origins_to_targets() (aiida.tools.visualization.graph.Graph 方法) add_outgoing() (aiida.tools.visualization.graph.Graph 方法) add_profile() (aiida.manage.configuration.config.Config 方法) add_projection() (aiida.orm.querybuilder.QueryBuilder 方法) add_to_ns()(在 aiida.tools.ipython.ipython_magics 模块中) add_to_parser() (aiida.cmdline.params.options.multivalue.MultipleValueOption 方法) add_verbosity_option()(aiida.cmdline.groups.verdi.VerdiCommandGroup 静态方法) additional_identifiers(aiida.tools.graph.age_entities.AbstractSetContainer 属性) AddMessageBroker(aiida.manage.configuration.migrations.migrations 中的类) AddPrefixToStorageBackendTypes(aiida.manage.configuration.migrations.migrations 中的类) AddProfileUuid(aiida.manage.configuration.migrations.migrations 中的类) AddTestProfileKey(aiida.manage.configuration.migrations.migrations 中的类) aiida module aiida() (aiida.tools.ipython.ipython_magics.AiiDALoaderMagics 方法) aiida.__main__ module aiida.brokers module aiida.brokers.broker module aiida.brokers.rabbitmq module aiida.brokers.rabbitmq.broker module aiida.brokers.rabbitmq.client module aiida.brokers.rabbitmq.defaults module aiida.brokers.rabbitmq.utils module aiida.calculations module aiida.calculations.arithmetic module aiida.calculations.arithmetic.add module aiida.calculations.importers module aiida.calculations.importers.arithmetic module aiida.calculations.importers.arithmetic.add module aiida.calculations.monitors module aiida.calculations.monitors.base module aiida.calculations.templatereplacer module aiida.calculations.transfer module aiida.cmdline module aiida.cmdline.commands module aiida.cmdline.commands.cmd_archive module aiida.cmdline.commands.cmd_calcjob module aiida.cmdline.commands.cmd_code module aiida.cmdline.commands.cmd_computer module aiida.cmdline.commands.cmd_config module aiida.cmdline.commands.cmd_daemon module aiida.cmdline.commands.cmd_data module aiida.cmdline.commands.cmd_data.cmd_array module aiida.cmdline.commands.cmd_data.cmd_bands module aiida.cmdline.commands.cmd_data.cmd_cif module aiida.cmdline.commands.cmd_data.cmd_dict module aiida.cmdline.commands.cmd_data.cmd_export module aiida.cmdline.commands.cmd_data.cmd_list module aiida.cmdline.commands.cmd_data.cmd_remote module aiida.cmdline.commands.cmd_data.cmd_show module aiida.cmdline.commands.cmd_data.cmd_singlefile module aiida.cmdline.commands.cmd_data.cmd_structure module aiida.cmdline.commands.cmd_data.cmd_trajectory module aiida.cmdline.commands.cmd_data.cmd_upf module aiida.cmdline.commands.cmd_database module aiida.cmdline.commands.cmd_devel module aiida.cmdline.commands.cmd_group module aiida.cmdline.commands.cmd_help module aiida.cmdline.commands.cmd_node module aiida.cmdline.commands.cmd_plugin module aiida.cmdline.commands.cmd_process module aiida.cmdline.commands.cmd_profile module aiida.cmdline.commands.cmd_rabbitmq module aiida.cmdline.commands.cmd_restapi module aiida.cmdline.commands.cmd_run module aiida.cmdline.commands.cmd_setup module aiida.cmdline.commands.cmd_shell module aiida.cmdline.commands.cmd_status module aiida.cmdline.commands.cmd_storage module aiida.cmdline.commands.cmd_user module aiida.cmdline.commands.cmd_verdi module aiida.cmdline.groups module aiida.cmdline.groups.dynamic module aiida.cmdline.groups.verdi module aiida.cmdline.params module aiida.cmdline.params.arguments module aiida.cmdline.params.arguments.main module aiida.cmdline.params.arguments.overridable module aiida.cmdline.params.options module aiida.cmdline.params.options.callable module aiida.cmdline.params.options.commands module aiida.cmdline.params.options.commands.code module aiida.cmdline.params.options.commands.computer module aiida.cmdline.params.options.commands.setup module aiida.cmdline.params.options.conditional module aiida.cmdline.params.options.config module aiida.cmdline.params.options.interactive module aiida.cmdline.params.options.main module aiida.cmdline.params.options.multivalue module aiida.cmdline.params.options.overridable module aiida.cmdline.params.types module aiida.cmdline.params.types.calculation module aiida.cmdline.params.types.choice module aiida.cmdline.params.types.code module aiida.cmdline.params.types.computer module aiida.cmdline.params.types.config module aiida.cmdline.params.types.data module aiida.cmdline.params.types.group module aiida.cmdline.params.types.identifier module aiida.cmdline.params.types.multiple module aiida.cmdline.params.types.node module aiida.cmdline.params.types.path module aiida.cmdline.params.types.plugin module aiida.cmdline.params.types.process module aiida.cmdline.params.types.profile module aiida.cmdline.params.types.strings module aiida.cmdline.params.types.user module aiida.cmdline.params.types.workflow module aiida.cmdline.utils module aiida.cmdline.utils.ascii_vis module aiida.cmdline.utils.common module aiida.cmdline.utils.decorators module aiida.cmdline.utils.defaults module aiida.cmdline.utils.echo module aiida.cmdline.utils.log module aiida.cmdline.utils.multi_line_input module aiida.cmdline.utils.pluginable module aiida.cmdline.utils.query module aiida.cmdline.utils.query.calculation module aiida.cmdline.utils.query.formatting module aiida.cmdline.utils.query.mapping module aiida.cmdline.utils.repository module aiida.cmdline.utils.shell module aiida.cmdline.utils.templates module aiida.common module aiida.common.constants module aiida.common.datastructures module aiida.common.escaping module aiida.common.exceptions module aiida.common.extendeddicts module aiida.common.files module aiida.common.folders module aiida.common.hashing module aiida.common.json module aiida.common.lang module aiida.common.links module aiida.common.log module aiida.common.progress_reporter module aiida.common.pydantic module aiida.common.timezone module aiida.common.utils module aiida.common.warnings module aiida.engine module aiida.engine.daemon module aiida.engine.daemon.client module aiida.engine.daemon.execmanager module aiida.engine.daemon.worker module aiida.engine.exceptions module aiida.engine.launch module aiida.engine.persistence module aiida.engine.processes module aiida.engine.processes.builder module aiida.engine.processes.calcjobs module aiida.engine.processes.calcjobs.calcjob module aiida.engine.processes.calcjobs.importer module aiida.engine.processes.calcjobs.manager module aiida.engine.processes.calcjobs.monitors module aiida.engine.processes.calcjobs.tasks module aiida.engine.processes.control module aiida.engine.processes.exit_code module aiida.engine.processes.functions module aiida.engine.processes.futures module aiida.engine.processes.launcher module aiida.engine.processes.ports module aiida.engine.processes.process module aiida.engine.processes.process_spec module aiida.engine.processes.utils module aiida.engine.processes.workchains module aiida.engine.processes.workchains.awaitable module aiida.engine.processes.workchains.context module aiida.engine.processes.workchains.restart module aiida.engine.processes.workchains.utils module aiida.engine.processes.workchains.workchain module aiida.engine.runners module aiida.engine.transports module aiida.engine.utils module aiida.manage module aiida.manage.caching module aiida.manage.configuration module aiida.manage.configuration.config module aiida.manage.configuration.migrations module aiida.manage.configuration.migrations.migrations module aiida.manage.configuration.options module aiida.manage.configuration.profile module aiida.manage.configuration.schema module aiida.manage.configuration.settings module aiida.manage.external module aiida.manage.external.postgres module aiida.manage.manager module aiida.manage.profile_access module aiida.manage.tests module aiida.manage.tests.pytest_fixtures module aiida.orm module aiida.orm.authinfos module aiida.orm.autogroup module aiida.orm.comments module aiida.orm.computers module aiida.orm.convert module aiida.orm.entities module aiida.orm.extras module aiida.orm.fields module aiida.orm.groups module aiida.orm.implementation module aiida.orm.implementation.authinfos module aiida.orm.implementation.comments module aiida.orm.implementation.computers module aiida.orm.implementation.entities module aiida.orm.implementation.groups module aiida.orm.implementation.logs module aiida.orm.implementation.nodes module aiida.orm.implementation.querybuilder module aiida.orm.implementation.storage_backend module aiida.orm.implementation.users module aiida.orm.implementation.utils module aiida.orm.logs module aiida.orm.nodes module aiida.orm.nodes.attributes module aiida.orm.nodes.caching module aiida.orm.nodes.comments module aiida.orm.nodes.data module aiida.orm.nodes.data.array module aiida.orm.nodes.data.array.array module aiida.orm.nodes.data.array.bands module aiida.orm.nodes.data.array.kpoints module aiida.orm.nodes.data.array.projection module aiida.orm.nodes.data.array.trajectory module aiida.orm.nodes.data.array.xy module aiida.orm.nodes.data.base module aiida.orm.nodes.data.bool module aiida.orm.nodes.data.cif module aiida.orm.nodes.data.code module aiida.orm.nodes.data.code.abstract module aiida.orm.nodes.data.code.containerized module aiida.orm.nodes.data.code.installed module aiida.orm.nodes.data.code.legacy module aiida.orm.nodes.data.code.portable module aiida.orm.nodes.data.data module aiida.orm.nodes.data.dict module aiida.orm.nodes.data.enum module aiida.orm.nodes.data.float module aiida.orm.nodes.data.folder module aiida.orm.nodes.data.int module aiida.orm.nodes.data.jsonable module aiida.orm.nodes.data.list module aiida.orm.nodes.data.numeric module aiida.orm.nodes.data.orbital module aiida.orm.nodes.data.remote module aiida.orm.nodes.data.remote.base module aiida.orm.nodes.data.remote.stash module aiida.orm.nodes.data.remote.stash.base module aiida.orm.nodes.data.remote.stash.folder module aiida.orm.nodes.data.singlefile module aiida.orm.nodes.data.str module aiida.orm.nodes.data.structure module aiida.orm.nodes.data.upf module aiida.orm.nodes.links module aiida.orm.nodes.node module aiida.orm.nodes.process module aiida.orm.nodes.process.calculation module aiida.orm.nodes.process.calculation.calcfunction module aiida.orm.nodes.process.calculation.calcjob module aiida.orm.nodes.process.calculation.calculation module aiida.orm.nodes.process.process module aiida.orm.nodes.process.workflow module aiida.orm.nodes.process.workflow.workchain module aiida.orm.nodes.process.workflow.workflow module aiida.orm.nodes.process.workflow.workfunction module aiida.orm.nodes.repository module aiida.orm.querybuilder module aiida.orm.users module aiida.orm.utils module aiida.orm.utils.builders module aiida.orm.utils.builders.code module aiida.orm.utils.builders.computer module aiida.orm.utils.calcjob module aiida.orm.utils.links module aiida.orm.utils.loaders module aiida.orm.utils.log module aiida.orm.utils.managers module aiida.orm.utils.mixins module aiida.orm.utils.node module aiida.orm.utils.remote module aiida.orm.utils.serialize module aiida.parsers module aiida.parsers.parser module aiida.parsers.plugins module aiida.parsers.plugins.arithmetic module aiida.parsers.plugins.arithmetic.add module aiida.parsers.plugins.templatereplacer module aiida.parsers.plugins.templatereplacer.parser module aiida.plugins module aiida.plugins.entry_point module aiida.plugins.factories module aiida.plugins.utils module aiida.repository module aiida.repository.backend module aiida.repository.backend.abstract module aiida.repository.backend.disk_object_store module aiida.repository.backend.sandbox module aiida.repository.common module aiida.repository.repository module aiida.restapi module aiida.restapi.api module aiida.restapi.common module aiida.restapi.common.config module aiida.restapi.common.exceptions module aiida.restapi.common.identifiers module aiida.restapi.common.utils module aiida.restapi.resources module aiida.restapi.run_api module aiida.restapi.translator module aiida.restapi.translator.base module aiida.restapi.translator.computer module aiida.restapi.translator.group module aiida.restapi.translator.nodes module aiida.restapi.translator.nodes.data module aiida.restapi.translator.nodes.data.array module aiida.restapi.translator.nodes.data.array.bands module aiida.restapi.translator.nodes.data.cif module aiida.restapi.translator.nodes.data.code module aiida.restapi.translator.nodes.data.kpoints module aiida.restapi.translator.nodes.data.structure module aiida.restapi.translator.nodes.data.upf module aiida.restapi.translator.nodes.node module aiida.restapi.translator.nodes.process module aiida.restapi.translator.nodes.process.calculation module aiida.restapi.translator.nodes.process.calculation.calcfunction module aiida.restapi.translator.nodes.process.calculation.calcjob module aiida.restapi.translator.nodes.process.process module aiida.restapi.translator.nodes.process.workflow module aiida.restapi.translator.nodes.process.workflow.workchain module aiida.restapi.translator.nodes.process.workflow.workfunction module aiida.restapi.translator.user module aiida.schedulers module aiida.schedulers.datastructures module aiida.schedulers.plugins module aiida.schedulers.plugins.direct module aiida.schedulers.plugins.lsf module aiida.schedulers.plugins.pbsbaseclasses module aiida.schedulers.plugins.pbspro module aiida.schedulers.plugins.sge module aiida.schedulers.plugins.slurm module aiida.schedulers.plugins.torque module aiida.schedulers.scheduler module aiida.sphinxext module aiida.sphinxext.calcjob module aiida.sphinxext.process module aiida.sphinxext.workchain module aiida.storage module aiida.storage.log module aiida.storage.psql_dos module aiida.storage.psql_dos.alembic_cli module aiida.storage.psql_dos.backend module aiida.storage.psql_dos.migrations module aiida.storage.psql_dos.migrations.env module aiida.storage.psql_dos.migrations.utils module aiida.storage.psql_dos.migrations.utils.calc_state module aiida.storage.psql_dos.migrations.utils.create_dbattribute module aiida.storage.psql_dos.migrations.utils.dblog_update module aiida.storage.psql_dos.migrations.utils.duplicate_uuids module aiida.storage.psql_dos.migrations.utils.integrity module aiida.storage.psql_dos.migrations.utils.legacy_workflows module aiida.storage.psql_dos.migrations.utils.migrate_repository module aiida.storage.psql_dos.migrations.utils.parity module aiida.storage.psql_dos.migrations.utils.provenance_redesign module aiida.storage.psql_dos.migrations.utils.reflect module aiida.storage.psql_dos.migrations.utils.utils module aiida.storage.psql_dos.migrator module aiida.storage.psql_dos.models module aiida.storage.psql_dos.models.authinfo module aiida.storage.psql_dos.models.base module aiida.storage.psql_dos.models.comment module aiida.storage.psql_dos.models.computer module aiida.storage.psql_dos.models.group module aiida.storage.psql_dos.models.log module aiida.storage.psql_dos.models.node module aiida.storage.psql_dos.models.settings module aiida.storage.psql_dos.models.user module aiida.storage.psql_dos.orm module aiida.storage.psql_dos.orm.authinfos module aiida.storage.psql_dos.orm.comments module aiida.storage.psql_dos.orm.computers module aiida.storage.psql_dos.orm.convert module aiida.storage.psql_dos.orm.entities module aiida.storage.psql_dos.orm.extras_mixin module aiida.storage.psql_dos.orm.groups module aiida.storage.psql_dos.orm.logs module aiida.storage.psql_dos.orm.nodes module aiida.storage.psql_dos.orm.querybuilder module aiida.storage.psql_dos.orm.querybuilder.joiner module aiida.storage.psql_dos.orm.querybuilder.main module aiida.storage.psql_dos.orm.users module aiida.storage.psql_dos.orm.utils module aiida.storage.psql_dos.utils module aiida.storage.sqlite_dos module aiida.storage.sqlite_dos.backend module aiida.storage.sqlite_temp module aiida.storage.sqlite_temp.backend module aiida.storage.sqlite_zip module aiida.storage.sqlite_zip.backend module aiida.storage.sqlite_zip.migrations module aiida.storage.sqlite_zip.migrations.env module aiida.storage.sqlite_zip.migrations.legacy module aiida.storage.sqlite_zip.migrations.legacy.v04_to_v05 module aiida.storage.sqlite_zip.migrations.legacy.v05_to_v06 module aiida.storage.sqlite_zip.migrations.legacy.v06_to_v07 module aiida.storage.sqlite_zip.migrations.legacy.v07_to_v08 module aiida.storage.sqlite_zip.migrations.legacy.v08_to_v09 module aiida.storage.sqlite_zip.migrations.legacy.v09_to_v10 module aiida.storage.sqlite_zip.migrations.legacy.v10_to_v11 module aiida.storage.sqlite_zip.migrations.legacy.v11_to_v12 module aiida.storage.sqlite_zip.migrations.legacy.v12_to_v13 module aiida.storage.sqlite_zip.migrations.legacy_to_main module aiida.storage.sqlite_zip.migrations.utils module aiida.storage.sqlite_zip.migrations.v1_db_schema module aiida.storage.sqlite_zip.migrations.versions module aiida.storage.sqlite_zip.migrations.versions.main_0000_initial module aiida.storage.sqlite_zip.migrations.versions.main_0000a_replace_nulls module aiida.storage.sqlite_zip.migrations.versions.main_0000b_non_nullable module aiida.storage.sqlite_zip.migrations.versions.main_0001 module aiida.storage.sqlite_zip.migrator module aiida.storage.sqlite_zip.models module aiida.storage.sqlite_zip.orm module aiida.storage.sqlite_zip.utils module aiida.tools module aiida.tools.archive module aiida.tools.archive.abstract module aiida.tools.archive.common module aiida.tools.archive.create module aiida.tools.archive.exceptions module aiida.tools.archive.implementations module aiida.tools.archive.implementations.sqlite_zip module aiida.tools.archive.implementations.sqlite_zip.main module aiida.tools.archive.implementations.sqlite_zip.reader module aiida.tools.archive.implementations.sqlite_zip.writer module aiida.tools.archive.imports module aiida.tools.calculations module aiida.tools.calculations.base module aiida.tools.data module aiida.tools.data.array module aiida.tools.data.array.kpoints module aiida.tools.data.array.kpoints.legacy module aiida.tools.data.array.kpoints.main module aiida.tools.data.array.kpoints.seekpath module aiida.tools.data.array.trajectory module aiida.tools.data.cif module aiida.tools.data.orbital module aiida.tools.data.orbital.orbital module aiida.tools.data.orbital.realhydrogen module aiida.tools.data.structure module aiida.tools.dbexporters module aiida.tools.dbimporters module aiida.tools.dbimporters.baseclasses module aiida.tools.dbimporters.plugins module aiida.tools.dbimporters.plugins.cod module aiida.tools.dbimporters.plugins.icsd module aiida.tools.dbimporters.plugins.materialsproject module aiida.tools.dbimporters.plugins.mpds module aiida.tools.dbimporters.plugins.mpod module aiida.tools.dbimporters.plugins.nninc module aiida.tools.dbimporters.plugins.oqmd module aiida.tools.dbimporters.plugins.pcod module aiida.tools.dbimporters.plugins.tcod module aiida.tools.graph module aiida.tools.graph.age_entities module aiida.tools.graph.age_rules module aiida.tools.graph.deletions module aiida.tools.graph.graph_traversers module aiida.tools.groups module aiida.tools.groups.paths module aiida.tools.ipython module aiida.tools.ipython.aiida_magic_register module aiida.tools.ipython.ipython_magics module aiida.tools.pytest_fixtures module aiida.tools.pytest_fixtures.configuration module aiida.tools.pytest_fixtures.daemon module aiida.tools.pytest_fixtures.entry_points module aiida.tools.pytest_fixtures.globals module aiida.tools.pytest_fixtures.orm module aiida.tools.pytest_fixtures.storage module aiida.tools.query module aiida.tools.query.calculation module aiida.tools.query.formatting module aiida.tools.query.mapping module aiida.tools.visualization module aiida.tools.visualization.graph module aiida.transports module aiida.transports.cli module aiida.transports.plugins module aiida.transports.plugins.local module aiida.transports.plugins.ssh module aiida.transports.transport module aiida.transports.util module aiida.workflows module aiida.workflows.arithmetic module aiida.workflows.arithmetic.add_multiply module aiida.workflows.arithmetic.multiply_add module aiida_caplog()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_cls_from(aiida.tools.graph.age_entities.DirectedEdgeSet 属性) aiida_cls_to(aiida.tools.graph.age_entities.DirectedEdgeSet 属性) aiida_cls(aiida.tools.graph.age_entities.AiidaEntitySet 属性) aiida_code()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_code_installed()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_computer()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_computer()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_computer_local()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_computer_local()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_computer_ssh()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_computer_ssh()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_config()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_config_factory()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_config_tmp()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_instance()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_local_code_factory()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_localhost()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_localhost()(在 aiida.tools.pytest_fixtures.orm 模块中) aiida_manager()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_manager()(在 aiida.tools.pytest_fixtures.globals 模块中) aiida_profile()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_profile()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_profile_clean()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_profile_clean()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_profile_clean_class()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_profile_clean_class()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_profile_factory()(在 aiida.manage.tests.pytest_fixtures 模块中) aiida_profile_factory()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_profile_tmp()(在 aiida.tools.pytest_fixtures.configuration 模块中) aiida_test_profile()(在 aiida.manage.tests.pytest_fixtures 模块中) AiidaApi(aiida.restapi.api 中的类) AiidaCalcJobDirective(aiida.sphinxext.calcjob 中的类) AiidaCalcJobDocumenter(aiida.sphinxext.calcjob 中的类) AiidaDeprecationWarning AiiDADumper(aiida.orm.utils.serialize 中的类) AiidaEntitySet(aiida.tools.graph.age_entities 中的类) AiidaEntryPointWarning AiidaException AiiDALoaderMagics(aiida.tools.ipython.ipython_magics 中的类) AiiDALoader(aiida.orm.utils.serialize 中的类) AiidaLoggerType(aiida.common.log 中的类) AiiDAPersister(aiida.engine.persistence 中的类) AiidaProcessDirective(aiida.sphinxext.process 中的类) AiidaProcessDocumenter(aiida.sphinxext.process 中的类) AiidaTestWarning aiidauser_id(aiida.storage.psql_dos.models.authinfo.DbAuthInfo 属性) aiidauser_id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbAuthInfo 属性) aiidauser_id(aiida.storage.sqlite_zip.models.DbAuthInfo 属性) aiidauser(aiida.storage.psql_dos.models.authinfo.DbAuthInfo 属性) aiidauser(aiida.storage.sqlite_zip.models.DbAuthInfo 属性) AiidaWorkchainDirective(aiida.sphinxext.workchain 中的类) AiidaWorkChainDocumenter(aiida.sphinxext.workchain 中的类) alembic_version_tbl_name(aiida.storage.psql_dos.migrator.PsqlDosMigrator 属性) AlembicRunner(aiida.storage.psql_dos.alembic_cli 中的类) 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(aiida.orm.computers.ComputerCollection 方法) delete() (aiida.orm.extras.EntityExtras 方法) delete() (aiida.orm.groups.GroupCollection 方法) delete() (aiida.orm.implementation.authinfos.BackendAuthInfoCollection 方法) delete() (aiida.orm.implementation.comments.BackendCommentCollection 方法) delete() (aiida.orm.implementation.computers.BackendComputerCollection 方法) delete() (aiida.orm.implementation.groups.BackendGroupCollection 方法) delete() (aiida.orm.implementation.logs.BackendLogCollection 方法) delete() (aiida.orm.implementation.nodes.BackendNodeCollection 方法) delete() (aiida.orm.implementation.storage_backend.StorageBackend 方法) delete() (aiida.orm.logs.LogCollection 方法) delete() (aiida.orm.nodes.attributes.NodeAttributes 方法) delete() (aiida.orm.nodes.node.NodeCollection 方法) delete() (aiida.repository.repository.Repository 方法) delete() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) delete() (aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfoCollection 方法) delete() (aiida.storage.psql_dos.orm.comments.SqlaCommentCollection 方法) delete() (aiida.storage.psql_dos.orm.computers.SqlaComputerCollection 方法) delete() (aiida.storage.psql_dos.orm.groups.SqlaGroupCollection 方法) delete() (aiida.storage.psql_dos.orm.logs.SqlaLogCollection 方法) delete() (aiida.storage.psql_dos.orm.nodes.SqlaNodeCollection 方法) delete() (aiida.storage.sqlite_dos.backend.SqliteDosStorage 方法) delete() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) delete() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) delete_all() (aiida.orm.comments.CommentCollection 方法) delete_all() (aiida.orm.implementation.comments.BackendCommentCollection 方法) delete_all() (aiida.orm.implementation.logs.BackendLogCollection 方法) delete_all() (aiida.orm.logs.LogCollection 方法) delete_all() (aiida.storage.psql_dos.orm.comments.SqlaCommentCollection 方法) delete_all() (aiida.storage.psql_dos.orm.logs.SqlaLogCollection 方法) delete_all_tables() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) delete_array() (aiida.orm.nodes.data.array.array.ArrayData 方法) delete_attribute() (aiida.orm.implementation.nodes.BackendNode 方法) delete_attribute() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) delete_attribute_many() (aiida.orm.implementation.nodes.BackendNode 方法) delete_attribute_many() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) delete_checkpoint() (aiida.engine.persistence.AiiDAPersister 方法) delete_checkpoint() (aiida.orm.nodes.process.process.ProcessNode 方法) delete_checkpoint() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) delete_checkpoint() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) delete_circus_socket_directory() (aiida.engine.daemon.client.DaemonClient 方法) delete_extra() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) delete_extra() (aiida.storage.psql_dos.orm.extras_mixin.ExtrasMixin 方法) delete_extra_many() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) delete_extra_many() 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delete_nodes_and_connections() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) delete_numpy_array_from_repository()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) delete_object() (aiida.orm.nodes.data.folder.FolderData 方法) delete_object() (aiida.orm.nodes.repository.NodeRepository 方法) delete_object() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) delete_object() (aiida.repository.repository.Repository 方法) delete_object() (aiida.tools.archive.abstract.ArchiveWriterAbstract 方法) delete_object() (aiida.tools.archive.implementations.sqlite_zip.writer.ArchiveAppenderSqlZip 方法) delete_object() (aiida.tools.archive.implementations.sqlite_zip.writer.ArchiveWriterSqlZip 方法) delete_objects() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) delete_objects() (aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 方法) delete_objects() (aiida.repository.backend.sandbox.SandboxRepositoryBackend 方法) delete_objects() 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ENTITY_CLASS(aiida.orm.implementation.computers.BackendComputerCollection 属性) ENTITY_CLASS(aiida.orm.implementation.entities.BackendCollection 属性) ENTITY_CLASS(aiida.orm.implementation.groups.BackendGroupCollection 属性) ENTITY_CLASS(aiida.orm.implementation.logs.BackendLogCollection 属性) ENTITY_CLASS(aiida.orm.implementation.nodes.BackendNodeCollection 属性) ENTITY_CLASS(aiida.orm.implementation.users.BackendUserCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfoCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.comments.SqlaCommentCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.computers.SqlaComputerCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.groups.SqlaGroupCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.logs.SqlaLogCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.nodes.SqlaNodeCollection 属性) ENTITY_CLASS(aiida.storage.psql_dos.orm.users.SqlaUserCollection 属性) ENTITY_CLASS(aiida.storage.sqlite_zip.orm.SqliteAuthInfoCollection 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aiida.storage.psql_dos.orm.convert 模块中) get_backend_entity()(在 aiida.storage.sqlite_zip.orm 模块中) get_bands() (aiida.orm.nodes.data.array.bands.BandsData 方法) get_bands() (aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 方法) get_bands_and_parents_structure()(在 aiida.orm.nodes.data.array.bands 模块中) get_broker() (aiida.manage.manager.Manager 方法) get_builder() (aiida.orm.nodes.data.code.abstract.AbstractCode 方法) get_builder()(aiida.engine.processes.process.Process 类方法) get_builder_restart() (aiida.orm.nodes.process.process.ProcessNode 方法) get_builder_restart() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) get_builder_restart() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) get_cache_source() (aiida.orm.nodes.caching.NodeCaching 方法) get_cached()(aiida.orm.entities.Collection 类方法) get_calcjob_remote_paths()(在 aiida.orm.utils.remote 模块中) get_calcjob_report()(在 aiida.cmdline.utils.common 模块中) get_cell_volume() (aiida.orm.nodes.data.structure.StructureData 方法) get_cell_volume() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_cells() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_checkpoints() (aiida.engine.persistence.AiiDAPersister 方法) get_cif() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_cif() (aiida.orm.nodes.data.structure.StructureData 方法) get_cif() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_cif_node() (aiida.tools.dbimporters.baseclasses.CifEntry 方法) get_circus_port() (aiida.engine.daemon.client.DaemonClient 方法) get_circus_socket_directory() (aiida.engine.daemon.client.DaemonClient 方法) get_class_string()(在 aiida.common.utils 模块中) get_client() (aiida.engine.daemon.client.DaemonClient 方法) get_code_helper()(aiida.orm.nodes.data.code.legacy.Code 类方法) get_code_helper()(aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 类方法) get_code_spec()(aiida.orm.utils.builders.code.CodeBuilder 静态方法) get_collection()(aiida.orm.entities.Entity 类方法) get_column()(在 aiida.storage.psql_dos.orm.querybuilder.main 模块中) get_column_names()(在 aiida.storage.psql_dos.orm.querybuilder.main 模块中) get_command() (aiida.cmdline.commands.cmd_computer.LazyConfigureGroup 方法) get_command() (aiida.cmdline.groups.dynamic.DynamicEntryPointCommandGroup 方法) get_command() (aiida.cmdline.groups.verdi.VerdiCommandGroup 方法) get_command() (aiida.cmdline.utils.pluginable.Pluginable 方法) get_comments()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_communicator() (aiida.brokers.broker.Broker 方法) get_communicator() (aiida.brokers.rabbitmq.broker.RabbitmqBroker 方法) get_communicator() (aiida.manage.manager.Manager 方法) get_composition() (aiida.orm.nodes.data.structure.StructureData 方法) get_composition() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_computer_label() (aiida.orm.nodes.data.code.legacy.Code 方法) get_computer_label() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_computer_name()(在 aiida.cmdline.commands.cmd_code 模块中) get_computer_names()(在 aiida.cmdline.commands.cmd_computer 模块中) get_computer_spec()(aiida.orm.utils.builders.computer.ComputerBuilder 静态方法) get_config()(aiida.manage.manager.Manager 静态方法) get_config()(在 aiida.manage.configuration 模块中) get_config_option()(在 aiida.manage.configuration 模块中) get_config_path()(在 aiida.manage.configuration 模块中) get_configuration() (aiida.orm.computers.Computer 方法) get_configuration_directory()(在 aiida.manage.configuration.settings 模块中) get_configuration_directory_from_envvar()(在 aiida.manage.configuration.settings 模块中) get_container() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) get_container() (aiida.storage.sqlite_dos.backend.SqliteDosMigrator 方法) get_content() (aiida.orm.nodes.data.singlefile.SinglefileData 方法) get_content_list() (aiida.common.folders.Folder 方法) get_controller_endpoint() (aiida.engine.daemon.client.DaemonClient 方法) get_corresponding_properties()(在 aiida.storage.psql_dos.orm.querybuilder.main 模块中) get_corresponding_property()(在 aiida.storage.psql_dos.orm.querybuilder.main 模块中) get_creation_statistics() (aiida.orm.implementation.querybuilder.BackendQueryBuilder 方法) get_creation_statistics() (aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 方法) get_current_table() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) get_current_version()(在 aiida.manage.configuration.migrations.migrations 模块中) get_daemon_client() (aiida.manage.manager.Manager 方法) get_daemon_client()(在 aiida.engine.daemon.client 模块中) get_daemon_info() (aiida.engine.daemon.client.DaemonClient 方法) get_daemon_pid() (aiida.engine.daemon.client.DaemonClient 方法) get_dblogger_extra()(在 aiida.orm.utils.log 模块中) get_default() (aiida.cmdline.params.options.callable.CallableDefaultOption 方法) get_default() (aiida.cmdline.params.options.interactive.InteractiveOption 方法) get_default() (aiida.orm.users.UserCollection 方法) get_default()(在 aiida.cmdline.commands.cmd_code 模块中) get_default_fields()(aiida.common.extendeddicts.DefaultFieldsAttributeDict 类方法) get_default_memory_per_machine() (aiida.orm.computers.Computer 方法) get_default_mpiprocs_per_machine() (aiida.orm.computers.Computer 方法) get_default_profile()(在 aiida.cmdline.utils.defaults 模块中) get_default_projections() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) get_default_projections() (aiida.restapi.translator.base.BaseTranslator 方法) get_derived_properties() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_derived_properties()(aiida.restapi.resources.CalcJobNode.CalcJobTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.cif.CifDataTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.code.CodeTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.structure.StructureDataTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.process.calculation.calcfunction.CalcFunctionTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.process.workflow.workchain.WorkChainTranslator 静态方法) get_derived_properties()(aiida.restapi.translator.nodes.process.workflow.workfunction.WorkFunctionTranslator 静态方法) get_description() (aiida.engine.processes.ports.InputPort 方法) get_description() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) get_description() (aiida.orm.nodes.data.code.legacy.Code 方法) get_description() (aiida.orm.nodes.data.structure.StructureData 方法) get_description() (aiida.orm.nodes.node.Node 方法) get_description() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_description() (aiida.restapi.common.identifiers.Namespace 方法) get_description() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_description() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_description() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) get_description() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_description() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_detailed_job_info() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_detailed_job_info() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_detailed_job_info() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_detailed_job_info() (aiida.schedulers.scheduler.Scheduler 方法) get_dict() (aiida.orm.nodes.data.dict.Dict 方法) get_dict() (aiida.schedulers.datastructures.JobInfo 方法) get_dimensionality() (aiida.orm.nodes.data.structure.StructureData 方法) get_dimensionality() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_directory() (aiida.repository.repository.Repository 方法) get_downloadable_data()(aiida.restapi.translator.nodes.data.DataTranslator 静态方法) get_downloadable_data()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_entry_point()(在 aiida.plugins.entry_point 模块中) get_entry_point_from_class()(在 aiida.plugins.entry_point 模块中) get_entry_point_from_string() (aiida.cmdline.params.types.plugin.PluginParamType 方法) get_entry_point_from_string()(在 aiida.plugins.entry_point 模块中) get_entry_point_groups()(在 aiida.plugins.entry_point 模块中) get_entry_point_names()(在 aiida.plugins.entry_point 模块中) get_entry_point_string_format()(在 aiida.plugins.entry_point 模块中) get_entry_point_string_from_class()(在 aiida.plugins.entry_point 模块中) get_entry_points()(在 aiida.plugins.entry_point 模块中) get_enum() (aiida.orm.nodes.data.enum.EnumData 方法) get_env()(aiida.engine.daemon.client.DaemonClient 静态方法) get_env_with_venv_bin()(在 aiida.cmdline.utils.common 模块中) get_exclude() (aiida.orm.autogroup.AutogroupManager 方法) get_execname() (aiida.orm.nodes.data.code.legacy.Code 方法) get_execname() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_executable() (aiida.orm.nodes.data.code.abstract.AbstractCode 方法) get_executable() (aiida.orm.nodes.data.code.installed.InstalledCode 方法) get_executable() (aiida.orm.nodes.data.code.legacy.Code 方法) get_executable() (aiida.orm.nodes.data.code.portable.PortableCode 方法) get_executable() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_executable_cmdline_params() (aiida.orm.nodes.data.code.abstract.AbstractCode 方法) get_exit_statuses()(aiida.engine.processes.process.Process 类方法) get_explicit_kpoints_path()(在 aiida.tools.data.array.kpoints.legacy 模块中) get_explicit_kpoints_path()(在 aiida.tools.data.array.kpoints.main 模块中) get_explicit_kpoints_path()(在 aiida.tools.data.array.kpoints.seekpath 模块中) get_export_formats()(aiida.orm.nodes.data.data.Data 类方法) get_export_formats()(aiida.restapi.translator.nodes.data.DataTranslator.Data 类方法) get_extra() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) get_extra() (aiida.storage.psql_dos.orm.extras_mixin.ExtrasMixin 方法) get_extra_many() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) get_false_node()(在 aiida.orm.nodes.data.bool 模块中) get_feature() (aiida.schedulers.scheduler.Scheduler 方法) get_file() (aiida.repository.repository.Repository 方法) get_file_content()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_file_header()(在 aiida 模块中) get_file_keys() (aiida.repository.repository.Repository 方法) get_filepath_container()(在 aiida.storage.psql_dos.backend 模块中) get_filter_expr() (aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 方法) get_filter_expr_from_column()(aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 静态方法) get_filter_expr_from_column()(aiida.storage.sqlite_zip.orm.SqliteQueryBuilder 静态方法) get_filter_expr_from_jsonb()(aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 静态方法) get_filter_expr_from_jsonb()(aiida.storage.sqlite_zip.orm.SqliteQueryBuilder 静态方法) get_filters() (aiida.tools.query.calculation.CalculationQueryBuilder 方法) get_format()(在 aiida.tools.archive.abstract 模块中) get_formatted_result() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) get_formatted_result() (aiida.restapi.translator.base.BaseTranslator 方法) get_formatted_result() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_formatter() (aiida.tools.query.mapping.ProjectionMapper 方法) get_formula() (aiida.orm.nodes.data.structure.StructureData 方法) get_formula() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_formula()(在 aiida.orm.nodes.data.structure 模块中) get_formula_from_symbol_list()(在 aiida.orm.nodes.data.structure 模块中) get_formula_group()(在 aiida.orm.nodes.data.structure 模块中) get_formulae() (aiida.orm.nodes.data.cif.CifData 方法) get_formulae() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) get_from_string()(aiida.orm.nodes.data.code.legacy.Code 类方法) get_from_string()(aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 类方法) get_full_name() (aiida.orm.users.User 方法) get_full_type_filters()(在 aiida.restapi.common.identifiers 模块中) get_function_source_code() (aiida.orm.utils.mixins.FunctionCalculationMixin 方法) get_global_variable() (aiida.orm.implementation.storage_backend.StorageBackend 方法) get_global_variable() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) get_global_variable() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) get_global_variable() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) get_group() (aiida.tools.groups.paths.GroupPath 方法) get_group_label_prefix() (aiida.orm.autogroup.AutogroupManager 方法) get_hash() (aiida.orm.nodes.caching.NodeCaching 方法) get_help_message() (aiida.cmdline.params.options.interactive.InteractiveOption 方法) get_id_from_cif()(aiida.tools.dbimporters.plugins.mpds.MpdsDbImporter 静态方法) get_importer()(aiida.engine.processes.calcjobs.calcjob.CalcJob 类方法) get_include() (aiida.orm.autogroup.AutogroupManager 方法) get_incoming() (aiida.orm.nodes.links.NodeLinks 方法) get_index_from_stepid() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_info() (aiida.orm.implementation.storage_backend.StorageBackend 方法) get_info() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) get_info() (aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 方法) get_info() (aiida.repository.backend.sandbox.SandboxRepositoryBackend 方法) get_info() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) get_info() (aiida.storage.psql_dos.migrations.utils.utils.NoopRepositoryBackend 方法) get_info() (aiida.storage.sqlite_temp.backend.SandboxShaRepositoryBackend 方法) get_info() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) get_info() (aiida.storage.sqlite_zip.backend._RoBackendRepository 方法) get_info() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) get_init_summary()(在 aiida.tools.archive.create 模块中) get_input_files()(aiida.restapi.resources.CalcJobNode.CalcJobTranslator 静态方法) get_input_files()(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator 静态方法) get_input_plugin_name() (aiida.orm.nodes.data.code.legacy.Code 方法) get_input_plugin_name() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_io_tree() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_ipc_endpoint() (aiida.engine.daemon.client.DaemonClient 方法) get_iterarrays() (aiida.orm.nodes.data.array.array.ArrayData 方法) get_job_id() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_job_id() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_job_id() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_job_resource_cls()(在 aiida.cmdline.params.options.commands.computer 模块中) get_jobs() (aiida.schedulers.plugins.direct.DirectScheduler 方法) get_jobs() (aiida.schedulers.scheduler.Scheduler 方法) get_jobs_list() (aiida.engine.processes.calcjobs.manager.JobManager 方法) get_join_func() (aiida.storage.psql_dos.orm.querybuilder.joiner.SqlaJoiner 方法) get_kind() (aiida.orm.nodes.data.structure.StructureData 方法) get_kind() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_kind_names() (aiida.orm.nodes.data.structure.StructureData 方法) get_kind_names() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_kpoints() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) get_kpoints() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) get_kpoints_mesh() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) get_kpoints_mesh() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) get_kpoints_path()(在 aiida.tools.data.array.kpoints.legacy 模块中) get_kpoints_path()(在 aiida.tools.data.array.kpoints.main 模块中) get_kpoints_path()(在 aiida.tools.data.array.kpoints.seekpath 模块中) get_label() (aiida.tools.query.mapping.ProjectionMapper 方法) get_last_job_info() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_last_job_info() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_last_job_info() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_launch_queue_name()(在 aiida.brokers.rabbitmq.utils 模块中) get_legacy_workflow_log_number()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_links() (aiida.tools.archive.common.HTMLGetLinksParser 方法) get_list() (aiida.orm.nodes.data.list.List 方法) get_loader()(在 aiida.orm.utils.loaders 模块中) get_local_executable() (aiida.orm.nodes.data.code.legacy.Code 方法) get_local_executable() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_logging_config()(在 aiida.common.log 模块中) get_logs_for() (aiida.orm.logs.LogCollection 方法) get_logs_with_no_nodes_number()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_manager()(在 aiida.manage.manager 模块中) get_many() (aiida.orm.extras.EntityExtras 方法) get_many() (aiida.orm.nodes.attributes.NodeAttributes 方法) get_member() (aiida.orm.nodes.data.enum.EnumData 方法) get_message_exchange_name()(在 aiida.brokers.rabbitmq.utils 模块中) GET_MESSAGE(aiida.restapi.resources.QueryBuilder 属性) get_metadata() (aiida.orm.authinfos.AuthInfo 方法) get_metadata() (aiida.orm.implementation.authinfos.BackendAuthInfo 方法) get_metadata() (aiida.orm.implementation.computers.BackendComputer 方法) get_metadata() (aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 方法) get_metadata() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) get_metadata() (aiida.tools.archive.abstract.ArchiveReaderAbstract 方法) get_metadata() (aiida.tools.archive.implementations.sqlite_zip.reader.ArchiveReaderSqlZip 方法) get_metadata_inputs() (aiida.orm.nodes.process.process.ProcessNode 方法) get_metadata_inputs() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) get_metadata_inputs() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) get_metavar() (aiida.cmdline.params.types.choice.LazyChoice 方法) get_metavar() (aiida.cmdline.params.types.multiple.MultipleValueParamType 方法) get_minimum_job_poll_interval() (aiida.orm.computers.Computer 方法) get_minimum_update_interval() (aiida.engine.processes.calcjobs.manager.JobsList 方法) get_missing_message() (aiida.cmdline.params.types.choice.LazyChoice 方法) get_missing_message() (aiida.cmdline.params.types.plugin.PluginParamType 方法) get_mode() (aiida.transports.transport.Transport 方法) get_model_from_entity()(在 aiida.storage.sqlite_zip.models 模块中) get_most_recent_node()(在 aiida.cmdline.commands.cmd_process 模块中) get_mpirun_command() (aiida.orm.computers.Computer 方法) get_name_from_quantum_numbers()(aiida.tools.data.orbital.realhydrogen.RealhydrogenOrbital 类方法) get_namespace()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_new_uuid()(在 aiida.common.utils 模块中) get_node_by_label() (aiida.orm.utils.links.LinkManager 方法) get_node_id_label()(在 aiida.tools.visualization.graph 模块中) get_node_info()(在 aiida.cmdline.utils.common 模块中) get_node_namespace()(在 aiida.restapi.common.identifiers 模块中) get_node_repository_dirpaths()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) get_node_repository_sub_folder()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) get_node_summary()(在 aiida.cmdline.utils.common 模块中) get_nodes_delete()(在 aiida.tools.graph.graph_traversers 模块中) get_nodes_export()(在 aiida.tools.graph.graph_traversers 模块中) get_numprocesses() (aiida.engine.daemon.client.DaemonClient 方法) get_numpy_array_absolute_path()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) get_object() (aiida.orm.nodes.data.folder.FolderData 方法) get_object() (aiida.orm.nodes.repository.NodeRepository 方法) get_object() (aiida.repository.repository.Repository 方法) get_object_content() (aiida.orm.nodes.data.folder.FolderData 方法) get_object_content() (aiida.orm.nodes.repository.NodeRepository 方法) get_object_content() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) get_object_content() (aiida.repository.repository.Repository 方法) get_object_from_string()(在 aiida.common.utils 模块中) get_object_hash() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) get_object_hash() (aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 方法) get_object_hash() (aiida.storage.sqlite_temp.backend.SandboxShaRepositoryBackend 方法) get_object_hash() (aiida.storage.sqlite_zip.backend._RoBackendRepository 方法) get_object_loader()(在 aiida.engine.persistence 模块中) get_objects_to_hash() (aiida.orm.nodes.caching.NodeCaching 方法) get_objects_to_hash() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNodeCaching 方法) get_objects_to_hash() (aiida.orm.nodes.process.process.ProcessNodeCaching 方法) get_oldest_compatible_version()(在 aiida.manage.configuration.migrations.migrations 模块中) get_on_computer()(在 aiida.cmdline.commands.cmd_code 模块中) get_option() (aiida.manage.configuration.config.Config 方法) get_option() (aiida.manage.configuration.profile.Profile 方法) get_option() (aiida.manage.manager.Manager 方法) get_option() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_option() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_option() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_option()(在 aiida.manage.configuration.options 模块中) get_option_names()(在 aiida.manage.configuration.options 模块中) get_options() (aiida.manage.caching._ContextCache 方法) get_options() (aiida.manage.configuration.config.Config 方法) get_options() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_options() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_options() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_options()(aiida.orm.utils.loaders.OrmEntityLoader 类方法) get_or_create() (aiida.orm.computers.ComputerCollection 方法) get_or_create() (aiida.orm.groups.GroupCollection 方法) get_or_create() (aiida.orm.users.UserCollection 方法) get_or_create()(aiida.orm.nodes.data.cif.CifData 类方法) get_or_create()(aiida.orm.nodes.data.upf.UpfData 类方法) get_or_create()(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 类方法) get_or_create()(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 类方法) get_or_create_db_record()(aiida.engine.processes.functions.FunctionProcess 类方法) get_or_create_db_record()(aiida.engine.processes.process.Process 类方法) get_or_create_group() (aiida.orm.autogroup.AutogroupManager 方法) get_or_create_group() (aiida.tools.groups.paths.GroupPath 方法) get_orbital_dict() (aiida.tools.data.orbital.orbital.Orbital 方法) get_orbitals() (aiida.orm.nodes.data.orbital.OrbitalData 方法) get_orm_entities() (aiida.orm.implementation.storage_backend.StorageBackend 方法) get_orm_entity()(在 aiida.orm.convert 模块中) get_orm_metadata()(在 aiida.storage.psql_dos.models.base 模块中) get_outgoing() (aiida.orm.nodes.links.NodeLinks 方法) get_output_files()(aiida.restapi.resources.CalcJobNode.CalcJobTranslator 静态方法) get_output_files()(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator 静态方法) get_outputs() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) get_outputs_for_parsing() (aiida.parsers.parser.Parser 方法) get_parameter_default()(在 aiida.cmdline.commands.cmd_computer 模块中) get_parent_calc() (aiida.engine.processes.process.Process 方法) get_parsed_cif() (aiida.tools.dbimporters.baseclasses.CifEntry 方法) get_parser_class() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_parser_class() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_parser_class() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_pdos() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) get_persister() (aiida.manage.manager.Manager 方法) get_pg_tc()(在 aiida.storage.psql_dos.utils 模块中) get_positions() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_possibilities() (aiida.cmdline.params.types.plugin.PluginParamType 方法) get_prepend_cmdline_params() (aiida.orm.nodes.data.code.abstract.AbstractCode 方法) get_prepend_cmdline_params() (aiida.orm.nodes.data.code.containerized.ContainerizedCode 方法) get_prepend_text() (aiida.orm.computers.Computer 方法) get_prepend_text() (aiida.orm.nodes.data.code.legacy.Code 方法) get_prepend_text() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_prettifiers()(aiida.common.utils.Prettifier 类方法) get_process_checkpoints() (aiida.engine.persistence.AiiDAPersister 方法) get_process_controller() (aiida.manage.manager.Manager 方法) get_process_function_report()(在 aiida.cmdline.utils.common 模块中) get_process_future() (aiida.engine.runners.Runner 方法) get_process_handlers()(aiida.engine.processes.workchains.restart.BaseRestartWorkChain 类方法) get_process_handlers_by_priority() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) get_process_state_change_timestamp()(在 aiida.engine.utils 模块中) get_process_tasks()(在 aiida.engine.processes.control 模块中) get_profile() (aiida.manage.configuration.config.Config 方法) get_profile() (aiida.manage.manager.Manager 方法) get_profile()(在 aiida.manage.configuration 模块中) get_profile_attribute_default()(在 aiida.cmdline.params.options.commands.setup 模块中) get_profile_storage() (aiida.manage.manager.Manager 方法) get_progress_reporter()(在 aiida.common.progress_reporter 模块中) get_projectable_properties() (aiida.restapi.resources.Computer.ComputerTranslator 方法) get_projectable_properties() (aiida.restapi.resources.Group.GroupTranslator 方法) get_projectable_properties() (aiida.restapi.resources.ProcessNode.ProcessTranslator 方法) get_projectable_properties() (aiida.restapi.resources.User.UserTranslator 方法) get_projectable_properties() (aiida.restapi.translator.computer.ComputerTranslator 方法) get_projectable_properties() (aiida.restapi.translator.group.GroupTranslator 方法) get_projectable_properties() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_projectable_properties() (aiida.restapi.translator.nodes.process.process.ProcessTranslator 方法) get_projectable_properties() (aiida.restapi.translator.user.UserTranslator 方法) get_projectable_properties()(aiida.restapi.resources.BaseResource.BaseTranslator 静态方法) get_projectable_properties()(aiida.restapi.translator.base.BaseTranslator 静态方法) get_projected() (aiida.tools.query.calculation.CalculationQueryBuilder 方法) get_projections() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) get_property() (aiida.orm.computers.Computer 方法) get_provenance_inputs_iterator() (aiida.engine.processes.process.Process 方法) get_pseudos_from_structure()(在 aiida.orm.nodes.data.upf 模块中) get_pubsub_endpoint() (aiida.engine.daemon.client.DaemonClient 方法) get_pymatgen() (aiida.orm.nodes.data.structure.StructureData 方法) get_pymatgen() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_pymatgen_molecule() (aiida.orm.nodes.data.structure.StructureData 方法) get_pymatgen_molecule() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_pymatgen_structure() (aiida.orm.nodes.data.structure.StructureData 方法) get_pymatgen_structure() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_pymatgen_version()(在 aiida.orm.nodes.data.structure 模块中) get_quantum_numbers_from_name()(aiida.tools.data.orbital.realhydrogen.RealhydrogenOrbital 类方法) get_query() (aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 方法) get_query_builder()(aiida.orm.utils.loaders.OrmEntityLoader 类方法) get_query_classes()(aiida.orm.utils.loaders.OrmEntityLoader 类方法) get_query_help() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) get_query_help() (aiida.restapi.translator.base.BaseTranslator 方法) get_query_set() (aiida.tools.query.calculation.CalculationQueryBuilder 方法) get_query_string_from_process_type_string()(在 aiida.engine.processes.process 模块中) get_query_type_from_type_string()(在 aiida.orm.utils.node 模块中) get_quicksetup_database_name()(在 aiida.cmdline.params.options.commands.setup 模块中) get_quicksetup_password()(在 aiida.cmdline.params.options.commands.setup 模块中) get_quicksetup_repository_uri()(在 aiida.cmdline.params.options.commands.setup 模块中) get_quicksetup_username()(在 aiida.cmdline.params.options.commands.setup 模块中) get_rabbitmq_version() (aiida.brokers.rabbitmq.broker.RabbitmqBroker 方法) get_random_string()(在 aiida.common.hashing 模块中) get_raw() (aiida.orm.nodes.data.structure.Kind 方法) get_raw() (aiida.orm.nodes.data.structure.Site 方法) get_raw_cif() (aiida.tools.dbimporters.baseclasses.CifEntry 方法) get_reference_bandsdata() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) get_regex_pattern_from_sql()(在 aiida.common.escaping 模块中) get_remote_and_path()(在 aiida.cmdline.commands.cmd_calcjob 模块中) get_remote_computer() (aiida.orm.nodes.data.code.legacy.Code 方法) get_remote_computer() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_remote_exec_path() (aiida.orm.nodes.data.code.legacy.Code 方法) get_remote_exec_path() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_remote_path() (aiida.orm.nodes.data.remote.base.RemoteData 方法) get_remote_workdir() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_remote_workdir() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_remote_workdir() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_repo_contents()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_repo_list()(aiida.restapi.translator.nodes.node.NodeTranslator 静态方法) get_report()(aiida.restapi.resources.ProcessNode.ProcessTranslator 静态方法) get_report()(aiida.restapi.translator.nodes.process.process.ProcessTranslator 静态方法) get_repository() (aiida.orm.implementation.storage_backend.StorageBackend 方法) get_repository() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) get_repository() (aiida.storage.sqlite_dos.backend.SqliteDosStorage 方法) get_repository() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) get_repository() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) get_repository_object()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) get_repository_uri_default()(在 aiida.cmdline.params.options.commands.setup 模块中) get_repository_uuid() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) get_response_content()(aiida.tools.dbimporters.plugins.mpds.MpdsDbImporter 静态方法) get_results() (aiida.orm.utils.calcjob.CalcJobResultManager 方法) get_results() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) get_results() (aiida.restapi.translator.base.BaseTranslator 方法) get_results() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_retrieve_list() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_retrieve_list() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_retrieve_list() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_retrieve_temporary_list() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_retrieve_temporary_list() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_retrieve_temporary_list() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_retrieved_node() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_retrieved_node() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_retrieved_node() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_rmq_url()(在 aiida.brokers.rabbitmq.utils 模块中) get_runner() (aiida.manage.manager.Manager 方法) get_safe_open_interval() (aiida.transports.transport.Transport 方法) get_scheduler() (aiida.orm.computers.Computer 方法) get_scheduler_lastchecktime() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_scheduler_lastchecktime() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_scheduler_lastchecktime() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_scheduler_state() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_scheduler_state() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_scheduler_state() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_scheduler_stderr() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_scheduler_stderr() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_scheduler_stderr() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_scheduler_stdout() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_scheduler_stdout() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_scheduler_stdout() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_scheduler_type() (aiida.orm.implementation.computers.BackendComputer 方法) get_scheduler_type() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) get_schema_version_head()(aiida.storage.psql_dos.migrator.PsqlDosMigrator 类方法) get_schema_version_head()(在 aiida.storage.sqlite_zip.migrator 模块中) get_schema_version_profile() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) get_schema_versions()(aiida.storage.psql_dos.migrator.PsqlDosMigrator 类方法) get_serialized_legacy_workflow_logs()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_serialized_logs_with_no_nodes()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_serialized_unknown_entity_logs()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_session() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) get_session() (aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 方法) get_session() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) get_session() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) get_shape() (aiida.orm.nodes.data.array.array.ArrayData 方法) get_shebang() (aiida.orm.computers.Computer 方法) get_short_doc()(aiida.schedulers.scheduler.Scheduler 类方法) get_short_doc()(aiida.transports.transport.Transport 类方法) get_short_name() (aiida.orm.users.User 方法) get_simple_name() (aiida.storage.psql_dos.models.node.DbNode 方法) get_site_kindnames() (aiida.orm.nodes.data.structure.StructureData 方法) get_site_kindnames() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_source_code_file() (aiida.orm.utils.mixins.FunctionCalculationMixin 方法) get_source_code_function() (aiida.orm.utils.mixins.FunctionCalculationMixin 方法) get_spacegroup_numbers() (aiida.orm.nodes.data.cif.CifData 方法) get_spacegroup_numbers() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) get_stack_size()(在 aiida.engine.processes.functions 模块中) get_start_namespace()(在 aiida.cmdline.utils.shell 模块中) get_state() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_state() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_state() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_state_classes()(aiida.engine.processes.calcjobs.calcjob.CalcJob 类方法) get_statistics() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) get_stats_endpoint() (aiida.engine.daemon.client.DaemonClient 方法) get_status() (aiida.engine.daemon.client.DaemonClient 方法) get_step_data() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_step_structure() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_stepids() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_stored_link_triples() (aiida.orm.nodes.links.NodeLinks 方法) get_strict_version()(在 aiida 模块中) get_structure() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_structure() (aiida.orm.nodes.data.cif.CifData 方法) get_structure() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) get_subfolder() (aiida.common.folders.Folder 方法) get_submit_script() (aiida.schedulers.scheduler.Scheduler 方法) get_supported_keywords() (aiida.tools.dbimporters.baseclasses.DbImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.mpod.MpodDbImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.nninc.NnincDbImporter 方法) get_supported_keywords() (aiida.tools.dbimporters.plugins.oqmd.OqmdDbImporter 方法) get_supported_keywords(aiida.tools.dbimporters.plugins.mpds.MpdsDbImporter 属性) get_symbols_set() (aiida.orm.nodes.data.structure.StructureData 方法) get_symbols_set() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) get_symbols_string() (aiida.orm.nodes.data.structure.Kind 方法) get_symbols_string()(在 aiida.orm.nodes.data.structure 模块中) get_table_name()(在 aiida.storage.psql_dos.orm.querybuilder.main 模块中) get_task_exchange_name()(在 aiida.brokers.rabbitmq.utils 模块中) get_tcp_endpoint() (aiida.engine.daemon.client.DaemonClient 方法) get_template() (aiida.tools.graph.age_entities.AbstractSetContainer 方法) get_template() (aiida.tools.graph.age_entities.AiidaEntitySet 方法) get_template() (aiida.tools.graph.age_entities.Basket 方法) get_template() (aiida.tools.graph.age_entities.DirectedEdgeSet 方法) get_times() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_tot_num_mpiprocs() (aiida.schedulers.datastructures.JobResource 方法) get_tot_num_mpiprocs() (aiida.schedulers.datastructures.NodeNumberJobResource 方法) get_tot_num_mpiprocs() (aiida.schedulers.datastructures.ParEnvJobResource 方法) get_tot_num_mpiprocs() (aiida.schedulers.plugins.lsf.LsfJobResource 方法) get_total_count() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) get_total_count() (aiida.restapi.translator.base.BaseTranslator 方法) get_transport() (aiida.orm.authinfos.AuthInfo 方法) get_transport() (aiida.orm.computers.Computer 方法) get_transport() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) get_transport() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) get_transport() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) get_transport_class() (aiida.orm.computers.Computer 方法) get_transport_type() (aiida.orm.implementation.computers.BackendComputer 方法) get_transport_type() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) get_true_node()(在 aiida.orm.nodes.data.bool 模块中) get_type_string_from_class()(在 aiida.orm.utils.node 模块中) get_unique_filename()(在 aiida.common.utils 模块中) get_unknown_entity_log_number()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) get_unreferenced_keyset() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) get_upf_family_names() (aiida.orm.nodes.data.upf.UpfData 方法) get_upf_family_names() (aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 方法) get_upf_group()(aiida.orm.nodes.data.upf.UpfData 类方法) get_upf_group()(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 类方法) get_upf_groups()(aiida.orm.nodes.data.upf.UpfData 类方法) get_upf_groups()(aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 类方法) get_upf_node() (aiida.tools.dbimporters.baseclasses.UpfEntry 方法) get_url() (aiida.brokers.rabbitmq.broker.RabbitmqBroker 方法) get_url() (aiida.cmdline.params.types.path.FileOrUrl 方法) get_use_cache()(在 aiida.manage.caching 模块中) get_use_double_quotes() (aiida.orm.computers.Computer 方法) get_use_double_quotes() (aiida.orm.nodes.data.code.legacy.Code 方法) get_use_double_quotes() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) get_used_tags() (aiida.orm.querybuilder.QueryBuilder 方法) get_valid_arguments() (aiida.cmdline.params.types.plugin.PluginParamType 方法) get_valid_auth_params()(aiida.transports.transport.Transport 类方法) get_valid_fields()(aiida.common.extendeddicts.FixedFieldsAttributeDict 类方法) get_valid_import_links()(在 aiida.tools.archive.common 模块中) get_valid_keys()(aiida.schedulers.datastructures.JobResource 类方法) get_valid_keys()(aiida.schedulers.datastructures.NodeNumberJobResource 类方法) get_valid_pbc()(在 aiida.orm.nodes.data.structure 模块中) get_velocities() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) get_version()(在 aiida 模块中) get_version_info() (aiida.plugins.utils.PluginVersionProvider 方法) get_workchain_report()(在 aiida.cmdline.utils.common 模块中) get_workdir() (aiida.orm.authinfos.AuthInfo 方法) get_workdir() 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id(aiida.storage.psql_dos.models.group.DbGroup 属性) id(aiida.storage.psql_dos.models.group.DbGroupNode 属性) id(aiida.storage.psql_dos.models.log.DbLog 属性) id(aiida.storage.psql_dos.models.node.DbLink 属性) id(aiida.storage.psql_dos.models.node.DbNode 属性) id(aiida.storage.psql_dos.models.settings.DbSetting 属性) id(aiida.storage.psql_dos.models.user.DbUser 属性) id(aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 属性) id(aiida.storage.psql_dos.orm.computers.SqlaComputer 属性) id(aiida.storage.psql_dos.orm.entities.SqlaModelEntity 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbAuthInfo 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComment 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComputer 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbGroup 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbGroupNodes 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbLink 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbLog 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbNode 属性) id(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbUser 属性) id(aiida.storage.sqlite_zip.models.DbAuthInfo 属性) id(aiida.storage.sqlite_zip.models.DbComment 属性) id(aiida.storage.sqlite_zip.models.DbComputer 属性) id(aiida.storage.sqlite_zip.models.DbGroup 属性) id(aiida.storage.sqlite_zip.models.DbLink 属性) id(aiida.storage.sqlite_zip.models.DbLog 属性) id(aiida.storage.sqlite_zip.models.DbNode 属性) id(aiida.storage.sqlite_zip.models.DbUser 属性) iglob() (aiida.transports.transport.Transport 方法) ilike() (aiida.orm.fields.QbStrField 方法) image_name(aiida.orm.nodes.data.code.containerized.ContainerizedCode 属性) image_name(aiida.orm.nodes.data.code.containerized.ContainerizedCode.Model 属性) IMMIGRATED_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) IMMIGRATED_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) IMMIGRATED_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) impl(aiida.storage.sqlite_zip.models.TZDateTime 属性) import_archive()(在 aiida.tools.archive.imports 模块中) importfile() (aiida.orm.nodes.data.data.Data 方法) importfile() (aiida.restapi.translator.nodes.data.DataTranslator.Data 方法) ImportGroup(aiida.orm.groups 中的类) importstring() (aiida.orm.nodes.data.data.Data 方法) importstring() (aiida.restapi.translator.nodes.data.DataTranslator.Data 方法) ImportTestRun ImportUniquenessError ImportValidationError in_() (aiida.orm.fields.QbField 方法) in_transaction(aiida.orm.implementation.storage_backend.StorageBackend 属性) in_transaction(aiida.storage.psql_dos.backend.PsqlDosBackend 属性) in_transaction(aiida.storage.sqlite_temp.backend.SqliteTempBackend 属性) in_transaction(aiida.storage.sqlite_zip.backend.SqliteZipBackend 属性) IncompatibleDatabaseSchema IncompatibleStorageSchema increase_workers() (aiida.engine.daemon.client.DaemonClient 方法) index() (aiida.orm.nodes.data.list.List 方法) infer_calculation_entry_point()(在 aiida.storage.psql_dos.migrations.utils.integrity 模块中) infer_identifier_type()(aiida.orm.utils.loaders.OrmEntityLoader 类方法) infer_valid_type_from_type_annotation()(在 aiida.engine.processes.functions 模块中) INFO(aiida.common.log.LogLevels 属性) init() (aiida.engine.processes.process.Process 方法) init_qb() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) init_qb() (aiida.restapi.translator.base.BaseTranslator 方法) initialise() (aiida.repository.backend.abstract.AbstractRepositoryBackend 方法) initialise() (aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 方法) initialise() (aiida.repository.backend.sandbox.SandboxRepositoryBackend 方法) initialise() (aiida.repository.repository.Repository 方法) initialise() (aiida.storage.psql_dos.migrations.utils.utils.NoopRepositoryBackend 方法) initialise() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) initialise() 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Int(aiida.orm.nodes.data.int 中的类) invalidates_cache(aiida.engine.processes.exit_code.ExitCode 属性) InvalidEntryPointTypeError InvalidOccupationsError InvalidOperation InvalidPath INVALID(aiida.plugins.entry_point.EntryPointFormat 属性) IPC(aiida.engine.daemon.client.ControllerProtocol 属性) ipython()(在 aiida.cmdline.utils.shell 模块中) is_active() (aiida.manage.profile_access.ProfileAccessManager 方法) is_alloy(aiida.orm.nodes.data.structure.Kind 属性) is_alloy(aiida.orm.nodes.data.structure.StructureData 属性) is_alloy(aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 属性) is_ase_atoms()(在 aiida.orm.nodes.data.structure 模块中) is_attribute(aiida.orm.fields.QbField 属性) is_attribute(aiida.orm.fields.QbFieldArguments 属性) is_cleaned(aiida.orm.nodes.data.remote.base.RemoteData 属性) is_closed() (aiida.engine.runners.Runner 方法) is_closed(aiida.orm.implementation.storage_backend.StorageBackend 属性) is_closed(aiida.storage.psql_dos.backend.PsqlDosBackend 属性) 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aiida.cmdline.utils.templates aiida.common aiida.common.constants aiida.common.datastructures aiida.common.escaping aiida.common.exceptions aiida.common.extendeddicts aiida.common.files aiida.common.folders aiida.common.hashing aiida.common.json aiida.common.lang aiida.common.links aiida.common.log aiida.common.progress_reporter aiida.common.pydantic aiida.common.timezone aiida.common.utils aiida.common.warnings aiida.engine aiida.engine.daemon aiida.engine.daemon.client aiida.engine.daemon.execmanager aiida.engine.daemon.worker aiida.engine.exceptions aiida.engine.launch aiida.engine.persistence aiida.engine.processes aiida.engine.processes.builder aiida.engine.processes.calcjobs aiida.engine.processes.calcjobs.calcjob aiida.engine.processes.calcjobs.importer aiida.engine.processes.calcjobs.manager aiida.engine.processes.calcjobs.monitors aiida.engine.processes.calcjobs.tasks aiida.engine.processes.control aiida.engine.processes.exit_code aiida.engine.processes.functions aiida.engine.processes.futures aiida.engine.processes.launcher aiida.engine.processes.ports aiida.engine.processes.process aiida.engine.processes.process_spec aiida.engine.processes.utils aiida.engine.processes.workchains aiida.engine.processes.workchains.awaitable aiida.engine.processes.workchains.context aiida.engine.processes.workchains.restart aiida.engine.processes.workchains.utils aiida.engine.processes.workchains.workchain aiida.engine.runners aiida.engine.transports aiida.engine.utils aiida.manage aiida.manage.caching aiida.manage.configuration aiida.manage.configuration.config aiida.manage.configuration.migrations aiida.manage.configuration.migrations.migrations aiida.manage.configuration.options aiida.manage.configuration.profile aiida.manage.configuration.schema aiida.manage.configuration.settings aiida.manage.external aiida.manage.external.postgres aiida.manage.manager aiida.manage.profile_access aiida.manage.tests aiida.manage.tests.pytest_fixtures aiida.orm aiida.orm.authinfos aiida.orm.autogroup aiida.orm.comments aiida.orm.computers aiida.orm.convert aiida.orm.entities aiida.orm.extras aiida.orm.fields aiida.orm.groups aiida.orm.implementation aiida.orm.implementation.authinfos aiida.orm.implementation.comments aiida.orm.implementation.computers aiida.orm.implementation.entities aiida.orm.implementation.groups aiida.orm.implementation.logs aiida.orm.implementation.nodes aiida.orm.implementation.querybuilder aiida.orm.implementation.storage_backend aiida.orm.implementation.users aiida.orm.implementation.utils aiida.orm.logs aiida.orm.nodes aiida.orm.nodes.attributes aiida.orm.nodes.caching aiida.orm.nodes.comments aiida.orm.nodes.data aiida.orm.nodes.data.array aiida.orm.nodes.data.array.array aiida.orm.nodes.data.array.bands aiida.orm.nodes.data.array.kpoints aiida.orm.nodes.data.array.projection aiida.orm.nodes.data.array.trajectory aiida.orm.nodes.data.array.xy aiida.orm.nodes.data.base aiida.orm.nodes.data.bool 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put_object_from_string()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) put_object_from_tree() (aiida.orm.nodes.data.folder.FolderData 方法) put_object_from_tree() (aiida.orm.nodes.repository.NodeRepository 方法) put_object_from_tree() (aiida.repository.repository.Repository 方法) putfile() (aiida.transports.plugins.local.LocalTransport 方法) putfile() (aiida.transports.plugins.ssh.SshTransport 方法) putfile() (aiida.transports.transport.Transport 方法) puttree() (aiida.transports.plugins.local.LocalTransport 方法) puttree() (aiida.transports.plugins.ssh.SshTransport 方法) puttree() (aiida.transports.transport.Transport 方法) pycifrw_from_cif()(在 aiida.orm.nodes.data.cif 模块中) Q QbArrayField(aiida.orm.fields 中的类) QbAttrField(aiida.orm.fields 中的类) QbDictField(aiida.orm.fields 中的类) QbFieldArguments(aiida.orm.fields 中的类) QbFieldFilters(aiida.orm.fields 中的类) QbFields(aiida.orm.fields 中的类) QbField(aiida.orm.fields 中的类) QbNumericField(aiida.orm.fields 中的类) QbStrField(aiida.orm.fields 中的类) query() (aiida.orm.entities.Collection 方法) query() (aiida.orm.implementation.storage_backend.StorageBackend 方法) query() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) query() (aiida.storage.sqlite_dos.backend.SqliteDosStorage 方法) query() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) query() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) query() (aiida.tools.dbimporters.baseclasses.DbImporter 方法) query() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) query() (aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 方法) query() (aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectImporter 方法) query() (aiida.tools.dbimporters.plugins.mpds.MpdsDbImporter 方法) query() (aiida.tools.dbimporters.plugins.mpod.MpodDbImporter 方法) query() (aiida.tools.dbimporters.plugins.nninc.NnincDbImporter 方法) query() (aiida.tools.dbimporters.plugins.oqmd.OqmdDbImporter 方法) query() (aiida.tools.dbimporters.plugins.pcod.PcodDbImporter 方法) query() (aiida.tools.dbimporters.plugins.tcod.TcodDbImporter 方法) query()(在 aiida.cmdline.commands.cmd_data.cmd_list 模块中) query_db_version() (aiida.tools.dbimporters.plugins.icsd.IcsdSearchResults 方法) query_get() (aiida.tools.dbimporters.plugins.mpod.MpodDbImporter 方法) query_get() (aiida.tools.dbimporters.plugins.nninc.NnincDbImporter 方法) query_get() (aiida.tools.dbimporters.plugins.oqmd.OqmdDbImporter 方法) query_page() (aiida.tools.dbimporters.plugins.icsd.IcsdSearchResults 方法) query_session() (aiida.storage.psql_dos.orm.querybuilder.main.SqlaQueryBuilder 方法) query_sql() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) query_sql() (aiida.tools.dbimporters.plugins.pcod.PcodDbImporter 方法) querybuilder() (aiida.tools.archive.abstract.ArchiveReaderAbstract 方法) QueryBuilder(aiida.orm.querybuilder 中的类) QueryBuilder(aiida.restapi.resources 中的类) QueryDictType(aiida.orm.implementation.querybuilder 中的类) queryhelp(aiida.orm.querybuilder.QueryBuilder 属性) QueryParams(aiida.tools.archive.imports 中的类) QueryRule(aiida.tools.graph.age_rules 中的类) query(aiida.storage.psql_dos.orm.querybuilder.main.BuiltQuery 属性) QUEUED_HELD(aiida.schedulers.datastructures.JobState 属性) QUEUED(aiida.schedulers.datastructures.JobState 属性) R RabbitmqBroker(aiida.brokers.rabbitmq.broker 中的类) RabbitmqManagementClient(aiida.brokers.rabbitmq.client 中的类) raise_errors() (aiida.common.utils.ErrorAccumulator 方法) raise_invalid_type_error()(在 aiida.plugins.factories 模块中) read_cif()(aiida.orm.nodes.data.cif.CifData 静态方法) read_cif()(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 静态方法) read_only(aiida.orm.implementation.storage_backend.StorageBackend 属性) read_only(aiida.storage.sqlite_zip.backend.SqliteZipBackend 属性) read_version() (aiida.tools.archive.abstract.ArchiveFormatAbstract 方法) read_version() (aiida.tools.archive.implementations.sqlite_zip.main.ArchiveFormatSqlZip 方法) read_version()(在 aiida.storage.sqlite_zip.utils 模块中) ReadOnlyError RealhydrogenOrbital(aiida.tools.data.orbital.realhydrogen 中的类) reciprocal_cell(aiida.orm.nodes.data.array.kpoints.KpointsData 属性) reciprocal_cell(aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 属性) recreate_from(aiida.engine.processes.functions.ProcessFunctionType 属性) recurse_ancestors() (aiida.tools.visualization.graph.Graph 方法) recurse_descendants() (aiida.tools.visualization.graph.Graph 方法) recursive_datetime_to_isoformat()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) recursive_merge()(aiida.orm.nodes.process.process.ProcessNode 类方法) recursive_merge()(aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 类方法) recursive_merge()(aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 类方法) recursive_merge()(在 aiida.manage.tests.pytest_fixtures 模块中) refine_inline()(在 aiida.tools.data.cif 模块中) ReflectMigrations(aiida.storage.psql_dos.migrations.utils.reflect 中的类) register_ipython_extension()(在 aiida.tools.ipython.ipython_magics 模块中) registered(aiida.tools.ipython.ipython_magics.AiiDALoaderMagics 属性) rehash() (aiida.orm.nodes.caching.NodeCaching 方法) relabel() (aiida.orm.nodes.data.code.legacy.Code 方法) relabel() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) REMOTE_WORKDIR_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) REMOTE_WORKDIR_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) REMOTE_WORKDIR_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) RemoteData(aiida.orm.nodes.data.remote.base 中的类) RemoteOperationError RemoteStashData(aiida.orm.nodes.data.remote.stash.base 中的类) RemoteStashFolderData(aiida.orm.nodes.data.remote.stash.folder 中的类) REMOTE(aiida.common.datastructures.FileCopyOperation 属性) remove() (aiida.manage.tests.pytest_fixtures.EntryPointManager 方法) remove() (aiida.orm.nodes.comments.NodeComments 方法) remove() (aiida.orm.nodes.data.list.List 方法) remove() (aiida.orm.querybuilder._QueryTagMap 方法) remove() (aiida.tools.pytest_fixtures.entry_points.EntryPointManager 方法) remove() (aiida.transports.plugins.local.LocalTransport 方法) remove() (aiida.transports.plugins.ssh.SshTransport 方法) remove() (aiida.transports.transport.Transport 方法) remove_attribute_link_metadata()(在 aiida.storage.sqlite_zip.migrations.legacy.v06_to_v07 模块中) remove_fields()(在 aiida.storage.sqlite_zip.migrations.legacy.v04_to_v05 模块中) remove_nodes() (aiida.orm.groups.Group 方法) remove_nodes() (aiida.orm.implementation.groups.BackendGroup 方法) remove_nodes() (aiida.storage.psql_dos.orm.groups.SqlaGroup 方法) remove_path() (aiida.common.folders.Folder 方法) remove_profile() (aiida.manage.configuration.config.Config 方法) rename() (aiida.transports.plugins.local.LocalTransport 方法) rename() (aiida.transports.plugins.ssh.SshTransport 方法) rename() (aiida.transports.transport.Transport 方法) replace_foreign_key() (aiida.storage.psql_dos.migrations.utils.reflect.ReflectMigrations 方法) replace_index() (aiida.storage.psql_dos.migrations.utils.reflect.ReflectMigrations 方法) replace_unique_constraint() (aiida.storage.psql_dos.migrations.utils.reflect.ReflectMigrations 方法) replace_with_folder() (aiida.common.folders.Folder 方法) ReplaceRule(aiida.tools.graph.age_rules 中的类) REPO_FOLDER()(在 aiida.storage.sqlite_zip.utils 模块中) report() (aiida.common.log.AiidaLoggerType 方法) report() (aiida.engine.processes.process.Process 方法) report()(在 aiida.common.log 模块中) REPORT(aiida.common.log.LogLevels 属性) repository_metadata(aiida.orm.implementation.nodes.BackendNode 属性) repository_metadata(aiida.storage.psql_dos.models.node.DbNode 属性) repository_metadata(aiida.storage.psql_dos.orm.nodes.SqlaNode 属性) repository_metadata(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbNode 属性) repository_metadata(aiida.storage.sqlite_zip.models.DbNode 属性) repository_path(aiida.manage.configuration.profile.Profile 属性) repository_uri(aiida.storage.psql_dos.backend.PsqlDosBackend.Model 属性) 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required_arguments(aiida.sphinxext.process.AiidaProcessDirective 属性) REQUIRED_KEYS(aiida.manage.configuration.profile.Profile 属性) requires_broker()(在 aiida.cmdline.utils.decorators 模块中) requires_loaded_profile()(在 aiida.cmdline.utils.decorators 模块中) reset() (aiida.common.progress_reporter.ProgressReporterAbstract 方法) reset() (aiida.orm.extras.EntityExtras 方法) reset() (aiida.orm.nodes.attributes.NodeAttributes 方法) reset() (aiida.repository.repository.Repository 方法) reset_attributes() (aiida.orm.implementation.nodes.BackendNode 方法) reset_attributes() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) reset_broker() (aiida.manage.manager.Manager 方法) reset_cache() (aiida.storage.psql_dos.migrations.utils.reflect.ReflectMigrations 方法) reset_cell() (aiida.orm.nodes.data.structure.StructureData 方法) reset_cell() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) reset_config()(在 aiida.manage.configuration 模块中) reset_database() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) reset_default_user() (aiida.orm.implementation.storage_backend.StorageBackend 方法) reset_extras() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) reset_extras() (aiida.storage.psql_dos.orm.extras_mixin.ExtrasMixin 方法) reset_mass() (aiida.orm.nodes.data.structure.Kind 方法) reset_profile() (aiida.manage.manager.Manager 方法) reset_profile_storage() (aiida.manage.manager.Manager 方法) reset_repository() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) reset_runner() (aiida.manage.manager.Manager 方法) reset_sites_positions() (aiida.orm.nodes.data.structure.StructureData 方法) reset_sites_positions() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) rest_api__profile_switching(aiida.manage.configuration.config.GlobalOptionsSchema 属性) restart_daemon() (aiida.engine.daemon.client.DaemonClient 方法) RestFeatureNotAvailable RestInputValidationError RestValidationError result() (aiida.common.utils.ErrorAccumulator 方法) result() (aiida.workflows.arithmetic.multiply_add.MultiplyAddWorkChain 方法) ResultAndNode(aiida.engine.runners 中的类) ResultAndPk(aiida.engine.runners 中的类) results() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) results(aiida.tools.dbimporters.plugins.icsd.IcsdSearchResults 属性) result(aiida.engine.runners.ResultAndNode 属性) result(aiida.engine.runners.ResultAndPk 属性) res(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) res(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) res(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) retrieve() (aiida.engine.processes.calcjobs.tasks.Waiting 方法) retrieve_calculation()(在 aiida.engine.daemon.execmanager 模块中) retrieve_files_from_list()(在 aiida.engine.daemon.execmanager 模块中) RETRIEVE_LIST_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) RETRIEVE_LIST_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) RETRIEVE_LIST_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) RETRIEVE_TEMPORARY_LIST_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) RETRIEVE_TEMPORARY_LIST_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) RETRIEVE_TEMPORARY_LIST_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) retrieved(aiida.parsers.parser.Parser 属性) retrieve(aiida.engine.processes.calcjobs.monitors.CalcJobMonitorResult 属性) RETRIEVING(aiida.common.datastructures.CalcJobState 属性) RETURN(aiida.common.links.LinkType 属性) reveal() (aiida.orm.nodes.data.code.legacy.Code 方法) reveal() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) reverse() (aiida.orm.nodes.data.list.List 方法) revive_processes()(在 aiida.engine.processes.control 模块中) rmdir() (aiida.transports.plugins.local.LocalTransport 方法) rmdir() (aiida.transports.plugins.ssh.SshTransport 方法) rmdir() (aiida.transports.transport.Transport 方法) rmq__task_timeout(aiida.manage.configuration.config.ProfileOptionsSchema 属性) rmtree() (aiida.transports.plugins.local.LocalTransport 方法) rmtree() (aiida.transports.plugins.ssh.SshTransport 方法) rmtree() (aiida.transports.transport.Transport 方法) RuleSaveWalkers(aiida.tools.graph.age_rules 中的类) RuleSequence(aiida.tools.graph.age_rules 中的类) RuleSetWalkers(aiida.tools.graph.age_rules 中的类) rules(aiida.tools.graph.graph_traversers.TraverseGraphOutput 属性) run() (aiida.common.utils.ErrorAccumulator 方法) run() (aiida.engine.processes.calcjobs.calcjob.CalcJob 方法) run() (aiida.engine.processes.functions.FunctionProcess 方法) run() (aiida.engine.processes.functions.ProcessFunctionType 方法) run() (aiida.engine.processes.workchains.workchain.WorkChain 方法) run() (aiida.engine.runners.Runner 方法) run() (aiida.sphinxext.process.AiidaProcessDirective 方法) run() (aiida.tools.graph.age_rules.Operation 方法) run() (aiida.tools.graph.age_rules.QueryRule 方法) run() (aiida.tools.graph.age_rules.ReplaceRule 方法) run() (aiida.tools.graph.age_rules.RuleSaveWalkers 方法) run() (aiida.tools.graph.age_rules.RuleSequence 方法) run() (aiida.tools.graph.age_rules.RuleSetWalkers 方法) run() (aiida.tools.graph.age_rules.UpdateRule 方法) run()(在 aiida.engine.launch 模块中) run_api()(在 aiida.restapi.run_api 模块中) run_get_node() (aiida.engine.processes.functions.ProcessFunctionType 方法) run_get_node() (aiida.engine.runners.Runner 方法) run_get_node()(在 aiida.engine.launch 模块中) run_get_pk() (aiida.engine.processes.functions.ProcessFunctionType 方法) run_get_pk() (aiida.engine.runners.Runner 方法) run_get_pk()(在 aiida.engine.launch 模块中) run_migrations_online()(在 aiida.storage.psql_dos.migrations.env 模块中) run_migrations_online()(在 aiida.storage.sqlite_zip.migrations.env 模块中) run_process() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) run_shell()(在 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SCHEDULER_DETAILED_JOB_INFO_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) SCHEDULER_DETAILED_JOB_INFO_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_DETAILED_JOB_INFO_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_JOB_ID_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) SCHEDULER_JOB_ID_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_JOB_ID_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_LAST_CHECK_TIME_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) SCHEDULER_LAST_CHECK_TIME_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_LAST_CHECK_TIME_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_LAST_JOB_INFO_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) SCHEDULER_LAST_JOB_INFO_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_LAST_JOB_INFO_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_STATE_KEY(aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 属性) SCHEDULER_STATE_KEY(aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 属性) SCHEDULER_STATE_KEY(aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 属性) scheduler_type(aiida.orm.computers.Computer 属性) scheduler_type(aiida.storage.psql_dos.models.computer.DbComputer 属性) scheduler_type(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComputer 属性) scheduler_type(aiida.storage.sqlite_zip.models.DbComputer 属性) SchedulerError SchedulerFactory()(在 aiida.plugins.factories 模块中) SchedulerParsingError Scheduler(aiida.schedulers.scheduler 中的类) schema(aiida.manage.configuration.options.Option 属性) seal() (aiida.orm.utils.mixins.Sealable 方法) Sealable(aiida.orm.utils.mixins 中的类) SEALED_KEY(aiida.orm.utils.mixins.Sealable 属性) seq(aiida.common.utils.ArrayCounter 属性) serialize() (aiida.engine.processes.ports.PortNamespace 方法) serialize() (aiida.engine.processes.ports.WithSerialize 方法) serialize() (aiida.orm.nodes.repository.NodeRepository 方法) serialize() (aiida.repository.common.File 方法) serialize() (aiida.repository.repository.Repository 方法) serialize() (aiida.schedulers.datastructures.JobInfo 方法) serialize()(在 aiida.orm.utils.serialize 模块中) serialize_dt() (aiida.manage.configuration.config.ProfileSchema 方法) serialize_field()(aiida.schedulers.datastructures.JobInfo 类方法) serialize_repository()(在 aiida.storage.psql_dos.migrations.utils.utils 模块中) SERIAL(aiida.common.datastructures.CodeRunMode 属性) ServerInfo(aiida.restapi.resources 中的类) ServiceStatus(aiida.cmdline.commands.cmd_status 中的类) session() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) session(aiida.storage.psql_dos.orm.utils.ModelWrapper 属性) set() (aiida.orm.extras.EntityExtras 方法) set() (aiida.orm.nodes.attributes.NodeAttributes 方法) set_accumulator() (aiida.tools.graph.age_rules.QueryRule 方法) set_accumulator() (aiida.tools.graph.age_rules.RuleSequence 方法) set_append_text() (aiida.orm.computers.Computer 方法) set_append_text() (aiida.orm.nodes.data.code.legacy.Code 方法) set_append_text() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_array() (aiida.orm.nodes.data.array.array.ArrayData 方法) set_ase() (aiida.orm.nodes.data.cif.CifData 方法) set_ase() (aiida.orm.nodes.data.structure.StructureData 方法) set_ase() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) set_ase() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_attribute() (aiida.orm.implementation.nodes.BackendNode 方法) set_attribute() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) set_attribute_many() (aiida.orm.implementation.nodes.BackendNode 方法) set_attribute_many() (aiida.storage.psql_dos.orm.nodes.SqlaNode 方法) set_auth_params() (aiida.orm.authinfos.AuthInfo 方法) set_auth_params() (aiida.orm.implementation.authinfos.BackendAuthInfo 方法) set_auth_params() (aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 方法) set_automatic_kind_name() (aiida.orm.nodes.data.structure.Kind 方法) set_backend() (aiida.repository.repository.Repository 方法) set_bands() (aiida.orm.nodes.data.array.bands.BandsData 方法) set_bands() (aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 方法) set_cell() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) set_cell() (aiida.orm.nodes.data.structure.StructureData 方法) set_cell() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) set_cell() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_cell_angles() (aiida.orm.nodes.data.structure.StructureData 方法) set_cell_angles() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_cell_from_structure() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) set_cell_from_structure() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) set_cell_lengths() (aiida.orm.nodes.data.structure.StructureData 方法) set_cell_lengths() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_checkpoint() (aiida.orm.nodes.process.process.ProcessNode 方法) set_checkpoint() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_checkpoint() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_code_builder()(在 aiida.cmdline.commands.cmd_code 模块中) set_computer_builder()(在 aiida.cmdline.commands.cmd_computer 模块中) set_configuration_directory()(在 aiida.manage.configuration.settings 模块中) set_content() (aiida.orm.comments.Comment 方法) set_content() (aiida.orm.implementation.comments.BackendComment 方法) set_content() (aiida.storage.psql_dos.orm.comments.SqlaComment 方法) set_debug() (aiida.orm.querybuilder.QueryBuilder 方法) set_default_memory_per_machine() (aiida.orm.computers.Computer 方法) set_default_mpiprocs_per_machine() (aiida.orm.computers.Computer 方法) set_default_profile() (aiida.manage.configuration.config.Config 方法) set_default_projections() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_default_projections() (aiida.restapi.translator.base.BaseTranslator 方法) set_default_user_email() (aiida.manage.configuration.config.Config 方法) set_default_user_email() (aiida.manage.manager.Manager 方法) set_description() (aiida.orm.implementation.computers.BackendComputer 方法) set_description() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_description_str() (aiida.common.progress_reporter.ProgressReporterAbstract 方法) set_detailed_job_info() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_detailed_job_info() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_detailed_job_info() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_dict() (aiida.orm.nodes.data.dict.Dict 方法) set_edge_keys() (aiida.tools.graph.age_rules.QueryRule 方法) set_entities() (aiida.tools.graph.age_entities.AbstractSetContainer 方法) set_exception() (aiida.orm.nodes.process.process.ProcessNode 方法) set_exception() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_exception() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_exclude() (aiida.orm.autogroup.AutogroupManager 方法) set_exclude_external_plugins() (aiida.cmdline.utils.pluginable.Pluginable 方法) set_exit_message() (aiida.orm.nodes.process.process.ProcessNode 方法) set_exit_message() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_exit_message() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_exit_status() (aiida.orm.nodes.process.process.ProcessNode 方法) set_exit_status() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_exit_status() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_extra() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) set_extra() (aiida.storage.psql_dos.orm.extras_mixin.ExtrasMixin 方法) set_extra_many() (aiida.orm.implementation.entities.BackendEntityExtrasMixin 方法) set_extra_many() (aiida.storage.psql_dos.orm.extras_mixin.ExtrasMixin 方法) set_file() (aiida.orm.nodes.data.cif.CifData 方法) set_file() (aiida.orm.nodes.data.singlefile.SinglefileData 方法) set_file() (aiida.orm.nodes.data.upf.UpfData 方法) set_file() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) set_file() (aiida.restapi.translator.nodes.data.upf.UpfDataTranslator.UpfData 方法) set_files() (aiida.orm.nodes.data.code.legacy.Code 方法) set_files() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_filters() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_filters() (aiida.restapi.translator.base.BaseTranslator 方法) set_global_variable() (aiida.orm.implementation.storage_backend.StorageBackend 方法) set_global_variable() (aiida.storage.psql_dos.backend.PsqlDosBackend 方法) set_global_variable() (aiida.storage.sqlite_temp.backend.SqliteTempBackend 方法) set_global_variable() (aiida.storage.sqlite_zip.backend.SqliteZipBackend 方法) set_group_label_prefix() (aiida.orm.autogroup.AutogroupManager 方法) set_hostname() (aiida.orm.implementation.computers.BackendComputer 方法) set_hostname() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_include() (aiida.orm.autogroup.AutogroupManager 方法) set_input_plugin_name() (aiida.orm.nodes.data.code.legacy.Code 方法) set_input_plugin_name() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_job_id() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_job_id() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_job_id() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_kpoints() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) set_kpoints() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) set_kpoints_mesh() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) set_kpoints_mesh() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) set_kpoints_mesh_from_density() (aiida.orm.nodes.data.array.kpoints.KpointsData 方法) set_kpoints_mesh_from_density() (aiida.restapi.translator.nodes.data.kpoints.KpointsDataTranslator.KpointsData 方法) set_kpointsdata() (aiida.orm.nodes.data.array.bands.BandsData 方法) set_kpointsdata() (aiida.restapi.translator.nodes.data.array.bands.BandsDataTranslator.BandsData 方法) set_label() (aiida.orm.implementation.computers.BackendComputer 方法) set_label() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_last_job_info() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_last_job_info() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_last_job_info() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_limit_offset() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_limit_offset() (aiida.restapi.translator.base.BaseTranslator 方法) set_list() (aiida.orm.nodes.data.list.List 方法) set_local_executable() (aiida.orm.nodes.data.code.legacy.Code 方法) set_local_executable() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_log_level()(在 aiida.cmdline.params.options.main 模块中) set_logger_extra() (aiida.transports.transport.Transport 方法) set_many() (aiida.orm.extras.EntityExtras 方法) set_many() (aiida.orm.nodes.attributes.NodeAttributes 方法) set_max_iterations() (aiida.tools.graph.age_rules.Operation 方法) set_metadata() (aiida.orm.authinfos.AuthInfo 方法) set_metadata() (aiida.orm.implementation.authinfos.BackendAuthInfo 方法) set_metadata() (aiida.orm.implementation.computers.BackendComputer 方法) set_metadata() (aiida.storage.psql_dos.orm.authinfos.SqlaAuthInfo 方法) set_metadata() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_metadata_inputs() (aiida.orm.nodes.process.process.ProcessNode 方法) set_metadata_inputs() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_metadata_inputs() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_minimum_job_poll_interval() (aiida.orm.computers.Computer 方法) set_mpirun_command() (aiida.orm.computers.Computer 方法) set_mtime() (aiida.orm.comments.Comment 方法) set_mtime() (aiida.orm.implementation.comments.BackendComment 方法) set_mtime() (aiida.storage.psql_dos.orm.comments.SqlaComment 方法) set_new_uuid()(在 aiida.storage.psql_dos.migrations.utils.dblog_update 模块中) set_option() (aiida.manage.configuration.config.Config 方法) set_option() (aiida.manage.configuration.profile.Profile 方法) set_option() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_option() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_option() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_options() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_options() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_options() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_orbital_dict() (aiida.tools.data.orbital.orbital.Orbital 方法) set_orbitals() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) set_orbitals() (aiida.orm.nodes.data.orbital.OrbitalData 方法) set_order() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_order() (aiida.restapi.translator.base.BaseTranslator 方法) set_parse_policy() (aiida.orm.nodes.data.cif.CifData 方法) set_parse_policy() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) set_pbc() (aiida.orm.nodes.data.structure.StructureData 方法) set_pbc() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_prepend_text() (aiida.orm.computers.Computer 方法) set_prepend_text() (aiida.orm.nodes.data.code.legacy.Code 方法) set_prepend_text() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_process_controller() (aiida.manage.configuration.profile.Profile 方法) set_process_label() (aiida.orm.nodes.process.process.ProcessNode 方法) set_process_label() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_process_label() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_process_state() (aiida.orm.nodes.process.process.ProcessNode 方法) set_process_state() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_process_state() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_process_state_change_timestamp()(在 aiida.engine.utils 模块中) set_process_status() (aiida.orm.nodes.process.process.ProcessNode 方法) set_process_status() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_process_status() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_process_type() (aiida.orm.nodes.process.process.ProcessNode 方法) set_process_type() (aiida.restapi.resources.ProcessNode.ProcessTranslator.ProcessNode 方法) set_process_type() (aiida.restapi.translator.nodes.process.process.ProcessTranslator.ProcessNode 方法) set_progress_bar_tqdm()(在 aiida.common.progress_reporter 模块中) set_progress_reporter()(在 aiida.common.progress_reporter 模块中) set_projectiondata() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) set_projections() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_projections() (aiida.restapi.translator.base.BaseTranslator 方法) set_property() (aiida.orm.computers.Computer 方法) set_pymatgen() (aiida.orm.nodes.data.structure.StructureData 方法) set_pymatgen() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_pymatgen_molecule() (aiida.orm.nodes.data.structure.StructureData 方法) set_pymatgen_molecule() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_pymatgen_structure() (aiida.orm.nodes.data.structure.StructureData 方法) set_pymatgen_structure() (aiida.restapi.translator.nodes.data.structure.StructureDataTranslator.StructureData 方法) set_query() (aiida.restapi.resources.BaseResource.BaseTranslator 方法) set_query() (aiida.restapi.translator.base.BaseTranslator 方法) set_query() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) set_query_type() (aiida.restapi.translator.nodes.node.NodeTranslator 方法) set_reference_bandsdata() (aiida.orm.nodes.data.array.projection.ProjectionData 方法) set_remote_computer_exec() (aiida.orm.nodes.data.code.legacy.Code 方法) set_remote_computer_exec() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_remote_path() (aiida.orm.nodes.data.remote.base.RemoteData 方法) set_remote_workdir() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_remote_workdir() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_remote_workdir() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_retrieve_list() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_retrieve_list() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_retrieve_list() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_retrieve_temporary_list() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_retrieve_temporary_list() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_retrieve_temporary_list() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_runner() (aiida.manage.manager.Manager 方法) set_scan_type() (aiida.orm.nodes.data.cif.CifData 方法) set_scan_type() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) set_scheduler_state() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_scheduler_state() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_scheduler_state() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_scheduler_type() (aiida.orm.implementation.computers.BackendComputer 方法) set_scheduler_type() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_shebang() (aiida.orm.computers.Computer 方法) set_source() (aiida.orm.nodes.data.data.Data 方法) set_source() (aiida.restapi.translator.nodes.data.DataTranslator.Data 方法) set_state() (aiida.orm.nodes.process.calculation.calcjob.CalcJobNode 方法) set_state() (aiida.restapi.resources.CalcJobNode.CalcJobTranslator.CalcJobNode 方法) set_state() (aiida.restapi.translator.nodes.process.calculation.calcjob.CalcJobTranslator.CalcJobNode 方法) set_status() (aiida.engine.processes.process.Process 方法) set_stepper_state_info() (aiida.orm.nodes.process.workflow.workchain.WorkChainNode 方法) set_stepper_state_info() (aiida.restapi.translator.nodes.process.workflow.workchain.WorkChainTranslator.WorkChainNode 方法) set_storage() (aiida.manage.configuration.profile.Profile 方法) set_structurelist() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) set_symbols_and_weights() (aiida.orm.nodes.data.structure.Kind 方法) set_trajectory() (aiida.orm.nodes.data.array.trajectory.TrajectoryData 方法) set_transport() (aiida.schedulers.scheduler.Scheduler 方法) set_transport_type() (aiida.orm.implementation.computers.BackendComputer 方法) set_transport_type() (aiida.storage.psql_dos.orm.computers.SqlaComputer 方法) set_use_double_quotes() (aiida.orm.computers.Computer 方法) set_use_double_quotes() (aiida.orm.nodes.data.code.legacy.Code 方法) set_use_double_quotes() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) set_user() (aiida.orm.comments.Comment 方法) set_user() (aiida.orm.implementation.comments.BackendComment 方法) set_user() (aiida.storage.psql_dos.orm.comments.SqlaComment 方法) set_values() (aiida.orm.nodes.data.cif.CifData 方法) set_values() (aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 方法) set_visits() (aiida.tools.graph.age_rules.RuleSequence 方法) set_workdir() (aiida.orm.computers.Computer 方法) set_x() (aiida.orm.nodes.data.array.xy.XyData 方法) set_y() (aiida.orm.nodes.data.array.xy.XyData 方法) sets(aiida.tools.graph.age_entities.Basket 属性) setup() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) setup()(在 aiida.sphinxext 模块中) setup_db() (aiida.tools.dbimporters.baseclasses.DbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.cod.CodDbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.materialsproject.MaterialsProjectImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.mpds.MpdsDbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.mpod.MpodDbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.nninc.NnincDbImporter 方法) setup_db() (aiida.tools.dbimporters.plugins.oqmd.OqmdDbImporter 方法) setup_extension()(在 aiida.sphinxext.calcjob 模块中) setup_extension()(在 aiida.sphinxext.process 模块中) setup_extension()(在 aiida.sphinxext.workchain 模块中) sftp(aiida.transports.plugins.ssh.SshTransport 属性) SgeJobResource(aiida.schedulers.plugins.sge 中的类) SgeScheduler(aiida.schedulers.plugins.sge 中的类) sha1_file()(在 aiida.common.files 模块中) ShebangParamType(aiida.cmdline.params.types.computer 中的类) shell_complete() (aiida.cmdline.params.types.code.CodeParamType 方法) shell_complete() (aiida.cmdline.params.types.computer.ComputerParamType 方法) shell_complete() (aiida.cmdline.params.types.config.ConfigOptionParamType 方法) shell_complete() (aiida.cmdline.params.types.group.GroupParamType 方法) shell_complete() (aiida.cmdline.params.types.plugin.PluginParamType 方法) shell_complete() (aiida.cmdline.params.types.profile.ProfileParamType 方法) shell_complete() (aiida.cmdline.params.types.user.UserParamType 方法) shorter() (aiida.orm.fields.QbArrayField 方法) should_call_default_memory_per_machine()(在 aiida.cmdline.params.options.commands.computer 模块中) should_call_default_mpiprocs_per_machine()(在 aiida.cmdline.params.options.commands.computer 模块中) should_run_process() (aiida.engine.processes.workchains.restart.BaseRestartWorkChain 方法) should_use_cache() (aiida.orm.nodes.caching.NodeCaching 方法) should_use_cache() (aiida.orm.nodes.process.process.ProcessNodeCaching 方法) show_mpl() 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user_id(aiida.storage.sqlite_zip.models.DbComment 属性) user_id(aiida.storage.sqlite_zip.models.DbGroup 属性) user_id(aiida.storage.sqlite_zip.models.DbNode 属性) UserCollection(aiida.orm.users 中的类) UserParamType(aiida.cmdline.params.types.user 中的类) users(aiida.orm.implementation.storage_backend.StorageBackend 属性) users(aiida.storage.psql_dos.backend.PsqlDosBackend 属性) users(aiida.storage.sqlite_dos.backend.SqliteDosStorage 属性) users(aiida.storage.sqlite_temp.backend.SqliteTempBackend 属性) users(aiida.storage.sqlite_zip.backend.SqliteZipBackend 属性) UserTranslator(aiida.restapi.translator.user 中的类) user(aiida.orm.authinfos.AuthInfo 属性) user(aiida.orm.comments.Comment 属性) USER(aiida.orm.entities.EntityTypes 属性) user(aiida.orm.groups.Group 属性) user(aiida.orm.implementation.authinfos.BackendAuthInfo 属性) user(aiida.orm.implementation.comments.BackendComment 属性) user(aiida.orm.implementation.groups.BackendGroup 属性) user(aiida.orm.implementation.nodes.BackendNode 属性) user(aiida.orm.nodes.node.Node 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uuid(aiida.orm.comments.Comment 属性) uuid(aiida.orm.computers.Computer 属性) uuid(aiida.orm.groups.Group 属性) uuid(aiida.orm.implementation.comments.BackendComment 属性) uuid(aiida.orm.implementation.computers.BackendComputer 属性) uuid(aiida.orm.implementation.groups.BackendGroup 属性) uuid(aiida.orm.implementation.logs.BackendLog 属性) uuid(aiida.orm.implementation.nodes.BackendNode 属性) uuid(aiida.orm.logs.Log 属性) uuid(aiida.orm.nodes.node.Node 属性) uuid(aiida.orm.users.User 属性) UUID(aiida.orm.utils.loaders.IdentifierType 属性) uuid(aiida.repository.backend.abstract.AbstractRepositoryBackend 属性) uuid(aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend 属性) uuid(aiida.repository.backend.sandbox.SandboxRepositoryBackend 属性) uuid(aiida.repository.repository.Repository 属性) uuid(aiida.storage.psql_dos.migrations.utils.utils.NoopRepositoryBackend 属性) uuid(aiida.storage.psql_dos.models.comment.DbComment 属性) uuid(aiida.storage.psql_dos.models.computer.DbComputer 属性) uuid(aiida.storage.psql_dos.models.group.DbGroup 属性) uuid(aiida.storage.psql_dos.models.log.DbLog 属性) uuid(aiida.storage.psql_dos.models.node.DbNode 属性) uuid(aiida.storage.psql_dos.orm.comments.SqlaComment 属性) uuid(aiida.storage.psql_dos.orm.computers.SqlaComputer 属性) uuid(aiida.storage.psql_dos.orm.groups.SqlaGroup 属性) uuid(aiida.storage.psql_dos.orm.logs.SqlaLog 属性) uuid(aiida.storage.psql_dos.orm.nodes.SqlaNode 属性) uuid(aiida.storage.sqlite_zip.backend._RoBackendRepository 属性) uuid(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComment 属性) uuid(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbComputer 属性) uuid(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbGroup 属性) uuid(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbLog 属性) uuid(aiida.storage.sqlite_zip.migrations.v1_db_schema.DbNode 属性) uuid(aiida.storage.sqlite_zip.models.DbComment 属性) uuid(aiida.storage.sqlite_zip.models.DbComputer 属性) uuid(aiida.storage.sqlite_zip.models.DbGroup 属性) uuid(aiida.storage.sqlite_zip.models.DbLog 属性) uuid(aiida.storage.sqlite_zip.models.DbNode 属性) V valid_calc_job_states()(在 aiida.cmdline.params.options.main 模块中) valid_process_states()(在 aiida.cmdline.params.options.main 模块中) valid_projections()(在 aiida.cmdline.commands.cmd_process 模块中) valid_projections(aiida.tools.query.calculation.CalculationQueryBuilder 属性) valid_projections(aiida.tools.query.mapping.ProjectionMapper 属性) valid_type(aiida.manage.configuration.options.Option 属性) validate() (aiida.common.extendeddicts.DefaultFieldsAttributeDict 方法) validate() (aiida.engine.processes.calcjobs.monitors.CalcJobMonitor 方法) validate() (aiida.engine.processes.calcjobs.monitors.CalcJobMonitorResult 方法) validate() (aiida.manage.configuration.options.Option 方法) validate() (aiida.orm.computers.Computer 方法) validate() (aiida.orm.utils.builders.code.CodeBuilder 方法) validate() (aiida.orm.utils.builders.computer.ComputerBuilder 方法) validate()(aiida.manage.configuration.config.Config 静态方法) validate()(aiida.orm.autogroup.AutogroupManager 静态方法) validate_additional_retrieve_list()(在 aiida.engine.processes.calcjobs.calcjob 模块中) validate_attribute_extra_key()(在 aiida.orm.implementation.utils 模块中) validate_caching_identifier_pattern()(aiida.manage.configuration.config.ProfileOptionsSchema 类方法) validate_calc_job()(在 aiida.engine.processes.calcjobs.calcjob 模块中) validate_code_type() (aiida.orm.utils.builders.code.CodeBuilder 方法) validate_computer()(aiida.orm.nodes.data.code.installed.InstalledCode.Model 类方法) validate_daemon_workers()(在 aiida.cmdline.commands.cmd_daemon 模块中) validate_entry_point_group() (aiida.cmdline.params.types.plugin.PluginParamType 方法) validate_entry_point_strings()(在 aiida.cmdline.commands.cmd_run 模块中) validate_filepath_executable() (aiida.orm.nodes.data.code.installed.InstalledCode 方法) validate_filepath_files()(aiida.orm.nodes.data.code.portable.PortableCode.Model 类方法) validate_float()(在 aiida.tools.data.orbital.orbital 模块中) validate_float_or_none()(在 aiida.tools.data.orbital.orbital 模块中) validate_full_label_uniqueness() (aiida.orm.nodes.data.code.installed.InstalledCode.Model 方法) validate_full_type()(在 aiida.restapi.common.identifiers 模块中) validate_handler_overrides()(在 aiida.engine.processes.workchains.restart 模块中) validate_incoming() (aiida.orm.nodes.links.NodeLinks 方法) validate_incoming() (aiida.orm.nodes.process.process.ProcessNodeLinks 方法) validate_inputs()(aiida.engine.processes.functions.FunctionProcess 类方法) validate_installed() (aiida.orm.utils.builders.code.CodeBuilder 方法) validate_instructions()(在 aiida.calculations.transfer 模块中) validate_int()(在 aiida.tools.data.orbital.orbital 模块中) validate_int_or_none()(在 aiida.tools.data.orbital.orbital 模块中) validate_kind_name()(在 aiida.tools.data.orbital.realhydrogen 模块中) validate_l()(在 aiida.tools.data.orbital.realhydrogen 模块中) validate_label_uniqueness()(aiida.orm.nodes.data.code.abstract.AbstractCode.Model 类方法) validate_label_uniqueness()(aiida.orm.nodes.data.code.installed.InstalledCode.Model 类方法) validate_label_uniqueness()(在 aiida.cmdline.params.options.commands.code 模块中) validate_len3_list()(在 aiida.tools.data.orbital.orbital 模块中) validate_len3_list_or_none()(在 aiida.tools.data.orbital.orbital 模块中) validate_link()(在 aiida.orm.utils.links 模块中) validate_link_label()(在 aiida.common.links 模块中) validate_list_of_string_tuples()(在 aiida.common.utils 模块中) validate_m()(在 aiida.tools.data.orbital.realhydrogen 模块中) validate_monitors()(在 aiida.engine.processes.calcjobs.calcjob 模块中) validate_n()(在 aiida.tools.data.orbital.realhydrogen 模块中) validate_outgoing() (aiida.orm.nodes.links.NodeLinks 方法) validate_outgoing() (aiida.orm.nodes.process.calculation.calcfunction.CalcFunctionNodeLinks 方法) validate_outgoing() (aiida.orm.nodes.process.process.ProcessNodeLinks 方法) validate_outgoing() (aiida.orm.nodes.process.workflow.workflow.WorkflowNodeLinks 方法) validate_outgoing() (aiida.orm.nodes.process.workflow.workfunction.WorkFunctionNodeLinks 方法) validate_parser()(在 aiida.engine.processes.calcjobs.calcjob 模块中) validate_port_name()(aiida.engine.processes.ports.PortNamespace 静态方法) validate_positive_number()(在 aiida.transports.transport 模块中) validate_profile() (aiida.manage.configuration.config.Config 方法) validate_profile_parameter()(在 aiida.cmdline.params.options.commands.setup 模块中) validate_registered_entry_points()(在 aiida.plugins.entry_point 模块中) validate_remote_exec_path() (aiida.orm.nodes.data.code.legacy.Code 方法) validate_remote_exec_path() (aiida.restapi.translator.nodes.data.code.CodeTranslator.Code 方法) validate_request() (aiida.restapi.common.utils.Utils 方法) validate_resources()(aiida.schedulers.datastructures.JobResource 类方法) validate_resources()(aiida.schedulers.datastructures.NodeNumberJobResource 类方法) validate_resources()(aiida.schedulers.datastructures.ParEnvJobResource 类方法) validate_resources()(aiida.schedulers.plugins.lsf.LsfJobResource 类方法) validate_resources()(aiida.schedulers.plugins.pbsbaseclasses.PbsJobResource 类方法) validate_resources()(aiida.schedulers.plugins.slurm.SlurmJobResource 类方法) validate_resources()(aiida.schedulers.scheduler.Scheduler 类方法) validate_result() (aiida.workflows.arithmetic.multiply_add.MultiplyAddWorkChain 方法) validate_spin()(在 aiida.tools.data.orbital.realhydrogen 模块中) validate_stash_options()(在 aiida.engine.processes.calcjobs.calcjob 模块中) validate_storage() (aiida.storage.psql_dos.migrator.PsqlDosMigrator 方法) validate_storage()(在 aiida.storage.sqlite_zip.migrator 模块中) validate_symbols_tuple()(在 aiida.orm.nodes.data.structure 模块中) validate_transfer_inputs()(在 aiida.calculations.transfer 模块中) validate_traversal_rules()(在 aiida.tools.graph.graph_traversers 模块中) validate_upload() (aiida.orm.utils.builders.code.CodeBuilder 方法) validate_uuid()(在 aiida.common.utils 模块中) validate_weights_tuple()(在 aiida.orm.nodes.data.structure 模块中) validate_working_directory() (aiida.orm.nodes.data.code.abstract.AbstractCode 方法) validate_working_directory() (aiida.orm.nodes.data.code.portable.PortableCode 方法) ValidationError values(aiida.orm.nodes.data.cif.CifData 属性) values(aiida.restapi.translator.nodes.data.cif.CifDataTranslator.CifData 属性) value(aiida.orm.nodes.data.base.BaseType 属性) value(aiida.orm.nodes.data.enum.EnumData 属性) val(aiida.storage.psql_dos.models.settings.DbSetting 属性) verdi() (aiida.tools.ipython.ipython_magics.AiiDALoaderMagics 方法) verdi__shell__auto_import(aiida.manage.configuration.config.ProfileOptionsSchema 属性) VerdiCommandGroup(aiida.cmdline.groups.verdi 中的类) VerdiContext(aiida.cmdline.groups.verdi 中的类) verify_metadata_version()(在 aiida.storage.sqlite_zip.migrations.utils 模块中) verify_uuid_uniqueness()(在 aiida.storage.psql_dos.migrations.utils.duplicate_uuids 模块中) version() (aiida.orm.implementation.storage_backend.StorageBackend 方法) version_head()(aiida.orm.implementation.storage_backend.StorageBackend 类方法) version_head()(aiida.storage.psql_dos.backend.PsqlDosBackend 类方法) version_head()(aiida.storage.sqlite_dos.backend.SqliteDosStorage 类方法) version_head()(aiida.storage.sqlite_temp.backend.SqliteTempBackend 类方法) version_head()(aiida.storage.sqlite_zip.backend.SqliteZipBackend 类方法) version_oldest_compatible(aiida.manage.configuration.config.Config 属性) version_profile()(aiida.orm.implementation.storage_backend.StorageBackend 类方法) version_profile()(aiida.storage.psql_dos.backend.PsqlDosBackend 类方法) version_profile()(aiida.storage.sqlite_dos.backend.SqliteDosStorage 类方法) version_profile()(aiida.storage.sqlite_temp.backend.SqliteTempBackend 类方法) version_profile()(aiida.storage.sqlite_zip.backend.SqliteZipBackend 类方法) version_settings(aiida.manage.configuration.config.Config 属性) version(aiida.manage.configuration.config.Config 属性) virtualenv(aiida.engine.daemon.client.DaemonClient 属性) volume_precision(aiida.tools.dbimporters.plugins.cod.CodDbImporter 属性) volume_precision(aiida.tools.dbimporters.plugins.icsd.IcsdDbImporter 属性) W Waiting(aiida.engine.processes.calcjobs.tasks 中的类) walk() (aiida.orm.nodes.data.folder.FolderData 方法) walk() (aiida.orm.nodes.repository.NodeRepository 方法) walk() (aiida.repository.repository.Repository 方法) walk() (aiida.tools.groups.paths.GroupPath 方法) walk_nodes() (aiida.tools.groups.paths.GroupPath 方法) WalkNodeResult(aiida.tools.groups.paths 中的类) warn_deprecation()(在 aiida.common.warnings 模块中) warnings__development_version(aiida.manage.configuration.config.GlobalOptionsSchema 属性) warnings__rabbitmq_version(aiida.manage.configuration.config.ProfileOptionsSchema 属性) warnings__showdeprecations(aiida.manage.configuration.config.ProfileOptionsSchema 属性) WARNING(aiida.cmdline.commands.cmd_status.ServiceStatus 属性) WARNING(aiida.common.log.LogLevels 属性) weights(aiida.orm.nodes.data.structure.Kind 属性) whoami() (aiida.transports.transport.Transport 方法) with_broker()(在 aiida.cmdline.utils.decorators 模块中) with_client()(在 aiida.cmdline.commands.cmd_rabbitmq 模块中) with_dbenv()(在 aiida.cmdline.utils.decorators 模块中) with_interrupt() (aiida.engine.utils.InterruptableFuture 方法) with_manager()(在 aiida.cmdline.utils.decorators 模块中) with_mpi(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) with_mpi(aiida.orm.nodes.data.code.abstract.AbstractCode.Model 属性) WithMetadata(aiida.engine.processes.ports 中的类) WithNonDb(aiida.engine.processes.ports 中的类) WITHSCHEDULER(aiida.common.datastructures.CalcJobState 属性) WithSerialize(aiida.engine.processes.ports 中的类) WorkChainNode(aiida.orm.nodes.process.workflow.workchain 中的类) WorkChainSpec(aiida.engine.processes.workchains.workchain 中的类) WorkChainTranslator.WorkChainNode(aiida.restapi.translator.nodes.process.workflow.workchain 中的类) WorkChainTranslator(aiida.restapi.translator.nodes.process.workflow.workchain 中的类) WorkChain(aiida.engine.processes.workchains.workchain 中的类) WorkflowEntityLoader(aiida.orm.utils.loaders 中的类) WorkflowFactory()(在 aiida.plugins.factories 模块中) WorkflowNodeLinks(aiida.orm.nodes.process.workflow.workflow 中的类) WorkflowNode(aiida.orm.nodes.process.workflow.workflow 中的类) WorkflowParamType(aiida.cmdline.params.types.workflow 中的类) workfunction()(在 aiida.engine.processes.functions 模块中) WorkFunctionNodeLinks(aiida.orm.nodes.process.workflow.workfunction 中的类) WorkFunctionNode(aiida.orm.nodes.process.workflow.workfunction 中的类) WorkFunctionTranslator.WorkFunctionNode(aiida.restapi.translator.nodes.process.workflow.workfunction 中的类) WorkFunctionTranslator(aiida.restapi.translator.nodes.process.workflow.workfunction 中的类) wrap_cmdline_params(aiida.orm.nodes.data.code.abstract.AbstractCode 属性) wrap_cmdline_params(aiida.orm.nodes.data.code.containerized.ContainerizedCode.Model 属性) wrap_cmdline_params(aiida.schedulers.datastructures.JobTemplateCodeInfo 属性) write_database_integrity_violation()(在 aiida.storage.psql_dos.migrations.utils.integrity 模块中) X XyData(aiida.orm.nodes.data.array.xy 中的类) xyz_parser_iterator()(在 aiida.tools.data.structure 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