- i -
- ia()
: msm::IndexRange
- ib()
: msm::IndexRange
- identity()
: Matrix4
, Matrix4Symmetry
, Matrix4TMD
, Tensor
- idIndxStr()
: idIndxStr
- ijpair()
: ijpair
- IMDOutput()
: IMDOutput
- ImproperElem()
: ImproperElem
- IncCurrStep()
: ALambdaControl
, ALambdaManager
- increment()
: ProxyUsage
- incrSTLoad()
: Rebalancer
- index()
: Lattice
, SortedArray< Type >
- index_a()
: PatchMap
- index_b()
: PatchMap
- index_c()
: PatchMap
- index_for_key()
: MGridforceParamsList
- IndexRange()
: msm::IndexRange
- indexRangeOfBlock()
: msm::Map
- indexRangeOfBlockFold()
: msm::Map
- infostream()
: infostream
- init()
: msm::PatchData
, MsmGridCutoffKernel< Vtype, Mtype >
, MsmBlockKernel< Vtype, Mtype >
, GBISResults< 1 >
, GBISResults< 2 >
, GBISResults< 3 >
, msm::PriorityQueue< T >
, msm::GridFixed< T, N >
, msm::Grid< T >
, FFTCompute
, Random
, SortableResizeArray< Type >
- Init()
: ALambdaControl
- init()
: BackEnd
- init_atom()
: colvarproxy_namd
- init_atom_group()
: colvarproxy_namd
- init_tcl_pointers()
: colvarproxy_namd
- init_volmap()
: colvarproxy_namd
- initBlockSizes()
: PmePencilXY
, PmePencilX
, PmePencilY
, PmePencilZ
- InitDeviceMsg()
: InitDeviceMsg
- InitDeviceMsg2()
: InitDeviceMsg2
- initHostDeviceLDB()
: WorkDistrib
- initialize()
: ComputeMsmMgr
, ComputeNonbondedPair
, ComputeNonbondedSelf
, ComputePatch
, ComputePatchPair
, ComputePmeMgr
, NodePmeMgr
, ComputePme
, ComputePmeCUDA
, ComputePmeCUDADevice
, ComputePmeCUDAMgr
, ComputeQM
, ComputeSelfTuples< T, S, P >
, CudaComputeNonbonded
, CudaPmePencilXYZ
, CudaPmePencilXY
, CudaPmePencilX
, CudaPmePencilY
, CudaPmePencilZ
, DeviceCUDA
, eABF
, eABF1D
, GridforceGrid
, GridforceFullMainGrid
, GridforceFullSubGrid
, GridforceLiteGrid
, LdbCoordinator
, Molecule
, ParallelIOMgr
, Compute
, ComputeCUDAMgr
, ComputeHomePatch
, ComputeHomePatches
, ComputeHomeTuples< T, S, P >
, ComputeLCPO
- initialize_computes()
: ComputePmeMgr
- initialize_config_data()
: SimParameters
- initialize_create()
: ComputeMsmMgr
- initialize_devices()
: ComputeCUDAMgr
- initialize_pencils()
: ComputePmeMgr
, ComputePmeCUDAMgr
- initializeDevice()
: CudaPmePencilXYZ
, CudaPmePencilXY
, CudaPmePencilX
, CudaPmePencilY
, CudaPmePencilZ
- initializePatches()
: ComputePmeCUDADevice
- InitProxyUsage()
: Rebalancer
- initPtrs()
: ComputeMap
- initQi()
: GBISInput< 3 >
, GBISInput< 1 >
, GBISInput< 2 >
- initQj()
: GBISInput< 1 >
, GBISInput< 2 >
, GBISInput< 3 >
- initTmpPatchAtomsList()
: PatchMap
- initVirialContrib()
: ComputeMsmMgr
- insert()
: msm::PriorityQueue< T >
, IRSet
, UniqueSortedArray< Type >
, minHeap
, maxHeap
, ResizeArray< T >
, SortedArray< Type >
- insertioncode()
: PDBAtom
- Instance()
: PatchMap
, AtomMap
, ComputeMap
- Int2()
: Int2
- Int3()
: Int3
- integer()
: Random
- integrate()
: Sequencer
, Controller
- Integrate_MCTI()
: ALambdaControl
, ALambdaManager
- integrateClusterSize()
: ParallelIOMgr
- integrateMigratedAtoms()
: ParallelIOMgr
- interpolation()
: msm::PatchData
- interpolationC1Hermite()
: msm::PatchData
- intpair()
: intpair
- intRadBoxClosed()
: Patch
- inverse()
: Matrix4
- IRSet()
: IRSet
- is_atom_constorqued()
: Molecule
- is_atom_constrained()
: Molecule
- is_atom_exPressure()
: Molecule
- is_atom_fixed()
: Molecule
- is_atom_gridforced()
: Molecule
- is_atom_movdragged()
: Molecule
- is_atom_rotdragged()
: Molecule
- is_atom_stirred()
: Molecule
- is_drude()
: Molecule
- is_group_fixed()
: Molecule
- is_hydrogen()
: Molecule
- is_hydrogenGroupParent()
: Molecule
- is_lp()
: Molecule
- is_open()
: ofstream_namd
- is_oxygen()
: Molecule
- is_water()
: Molecule
- IsActive()
: ALambdaControl
- isAvailableOn()
: Rebalancer
- isEmpty()
: TupleSignature
- IsEndOf_MCTI()
: ALambdaManager
, ALambdaControl
- IsEndOf_MCTI_Step()
: ALambdaControl
, ALambdaManager
- IsFirstStep()
: ALambdaManager
, ALambdaControl
- IsForcing()
: AForcingAngleRestraint
, AForcingDistRestraint
, AForcingDiheRestraint
, ARestraint
, AForcingPosRestraint
- isMICProcessor()
: ComputeMgr
- isOpen()
: OwnerBox< Owner, Data >
- isOutputProcessor()
: ParallelIOMgr
- isPmeDevice()
: ComputePmeCUDAMgr
- isPmeNode()
: ComputePmeCUDAMgr
- isPmePe()
: ComputePmeCUDAMgr
- isRecvSpanningTreeOn()
: SimParameters
- isRecvSpanningTreeUnset()
: SimParameters
- isSendSpanningTreeOn()
: SimParameters
- isSendSpanningTreeUnset()
: SimParameters
- issetfromptr()
: ParseOptions
- issetinparseopts()
: SimParameters
- IsTimeToClearAccumulator()
: ALambdaManager
, ALambdaControl
- IsTimeToPrint()
: ALambdaControl
, ALambdaManager
- IsTimeToPrint_dU_dLambda()
: ALambdaControl
, ALambdaManager
- istruefromptr()
: ParseOptions
- istrueinparseopts()
: SimParameters
- isUsed()
: Entry< Elem >
- item()
: ResizeArray< T >
, RequireReduction
, SubmitReduction
- iterator()
: minHeap
, maxHeap
, IRSet
- Ivec()
: msm::Ivec