- i -

• i() : sc::fastpairiter::MOPairIter< PSymm > , sc::MOPairIter , sc::RefDiagSCMatrix , sc::RefSCMatrix , sc::RefSymmSCMatrix , sc::SCMatrixBlockIter , sc::SCMatrixDiagBlockIter , sc::SCMatrixDiagSubBlockIter , sc::SCMatrixLTriBlockIter , sc::SCMatrixLTriSubBlockIter , sc::SCMatrixRectBlockIter , sc::SCMatrixRectSubBlockIter , sc::SCVectorSimpleBlockIter , sc::SCVectorSimpleSubBlockIter , sc::SymmetryOperation , sc::SymRep
• id() : sc::OrbitalSpace
• identifier() : sc::RefCount
• if_to_checkpoint() : sc::MolecularEnergy
• ij() : sc::fastpairiter::MOPairIter< PSymm > , sc::MOPairIter
• ij_aa() : sc::SpatialMOPairIter , sc::SpatialMOPairIter_eq , sc::SpatialMOPairIter_neq
• ij_ab() : sc::SpatialMOPairIter , sc::SpatialMOPairIter_eq , sc::SpatialMOPairIter_neq
• ij_ba() : sc::SpatialMOPairIter , sc::SpatialMOPairIter_eq , sc::SpatialMOPairIter_neq
• ij_xy() : sc::SingleReference_R12Intermediates< T >
• ijxy() : sc::SingleReference_R12Intermediates< T >
• import_occupations() : sc::PsiSCF
• in_p2() : sc::PetiteList
• in_p4() : sc::PetiteList
• in_range() : sc::IndexRangeIterator< NDIM > , sc::TensorIndexRangeIterator< NDIM >
• include_q() : sc::Molecule
• include_qq() : sc::Molecule
• index() : mpqc::TensorColumnMajor , mpqc::TensorRowMajor , sc::sma2::Array< N >
• Index() : sc::sma2::Index
• index_to_block() : sc::sma2::Range
• index_to_offset() : sc::sma2::Range
• IndexList() : sc::sma2::IndexList
• IndexListLess() : sc::sma2::IndexListLess< N >
• indexmap() : sc::ExternMOInfo
• indices() : sc::sma2::Array< N >
• init() : sc::AccumH , sc::BatchElectronDensity , sc::BeckeIntegrationWeight , sc::BEMSolventH , sc::CartMolecularCoor , sc::DenIntegrator , sc::DistArray4_MPIIOFile , sc::DistShell , sc::DistShell::SharedData , sc::DistShellPair , sc::DistShellPair::SharedData , sc::ExEnv , sc::GaussianBasisSet , sc::IndexRangeIterator< NDIM > , sc::IntegrationWeight , sc::IntMolecularCoor , sc::IrreducibleRepresentation , sc::ISphericalTransform , sc::LineOpt , sc::MCSearch , sc::MPIMessageGrp , sc::MPQCInit , sc::Optimize , sc::OrbitalSpace , sc::RefWavefunction , sc::ShellPairLibint2 , sc::ShellRotation , sc::SphericalTransform , sc::SphericalTransformComponent , sc::SphericalTransformComponentLibint2 , sc::SphericalTransformComponentV3 , sc::SumAccumH , sc::SymmMolecularCoor , sc::TensorIndexRangeIterator< NDIM > , sc::TwoBodyIntBatch< NumCenters >
• init_basename() : sc::MPQCInit
• init_blocks() : sc::sma2::Array< N >
• init_fp() : sc::MPQCInit
• init_integrals() : sc::MPQCInit
• init_io() : sc::MPQCInit
• init_keyval() : sc::MPQCInit
• init_limits() : sc::MPQCInit
• init_memorygrp() : sc::MPQCInit
• init_messagegrp() : sc::MPQCInit
• init_pimpl() : sc::FinDispMolecularHessian
• init_pure() : sc::ShellRotation
• init_resources() : sc::MPQCInit
• init_spaces() : sc::RefWavefunction
• init_threadgrp() : sc::MPQCInit
• init_timer() : sc::MPQCInit
• init_virb_to_bfns() : sc::LCorr
• initial_filegrp() : sc::FileGrp
• initial_hint() : sc::sma2::Array< N >
• initial_instance() : sc::ConsumableResources
• initial_integral() : sc::Integral
• initial_memorygrp() : sc::MemoryGrp
• initial_messagegrp() : sc::MessageGrp
• initial_threadgrp() : sc::ThreadGrp
• initialize() : sc::MessageGrp , sc::MolcasPT2R12 , sc::R12WavefunctionWorld , sc::WriteBasisGrid , sc::WriteElectronDensity , sc::WriteElectrostaticPotential , sc::WriteGrid , sc::WriteOrbital , sc::WriteOrbitals , sc::WriteVectorGrid
• initialize_table() : sc::CorrelationTable
• initialized() : sc::ExEnv
• input_offset() : sc::Tensor
• InputError() : sc::InputError
• instance() : mpqc::TA::IntegralEnginePool< RefEngType > , sc::MPQCInit , sc::ParamsRegistry
• Int2eLibint2() : sc::Int2eLibint2
• IntCoor() : sc::IntCoor
• IntCoorGen() : sc::IntCoorGen
• intdescr() : sc::TwoBodyMOIntsTransform , sc::TwoBodyThreeCenterMOIntsTransform
• integral() : mpqc::TA::Wavefunction , sc::DenIntegrator
• Integral() : sc::Integral
• integral() : sc::MOIntsTransformFactory , sc::NBodyIntEval , sc::OneBodyDerivInt , sc::OneBodyOneCenterDerivInt , sc::OrbitalSpace , sc::TwoBodyDerivInt , sc::TwoBodyInt , sc::TwoBodyIntBatch< NumCenters > , sc::TwoBodyIntEval , sc::TwoBodyThreeCenterInt , sc::TwoBodyTwoCenterInt , sc::Wavefunction
• IntegralEnginePool() : mpqc::TA::IntegralEnginePool< RefEngType >
• Integrals() : mpqc::lcao::Integrals< RefEngine >
• integrate() : sc::DenIntegrator , sc::RadialAngularIntegrator
• inteval() : sc::IntegralSetDescr< IntEval > , sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet > , sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
• IntMolecularCoor() : sc::IntMolecularCoor
• intparams_key() : sc::DensityFittingParams
• IntParamsG12() : sc::IntParamsG12
• ints_acc() : sc::TwoBodyThreeCenterMOIntsTransform
• ints_distarray4() : sc::TwoBodyMOIntsTransform
• ints_file() : sc::WavefunctionWorld
• ints_method() : sc::MOIntsTransformFactory , sc::WavefunctionWorld
• intset() : sc::IntegralSetDescr< IntEval > , sc::OneBodyIntTraits< NumCenters, Type > , sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >
• intSet() : sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >
• intset() : sc::TwoBodyIntTraits< NumCenters, Type > , sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
• intSet() : sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
• intset() : sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
• intvalue() : sc::KeyVal , sc::KeyValValuestring
• inverse() : sc::CharacterTable
• inverse_hessian() : sc::CartMolecularCoor , sc::MolecularCoor , sc::RedundMolecularCoor , sc::SymmMolecularCoor
• invert() : sc::MP2R12EnergyUtil_base , sc::MP2R12EnergyUtil_Diag , sc::MP2R12EnergyUtil_Diag_DifferentSpin , sc::MP2R12EnergyUtil_Diag_SameSpin , sc::MP2R12EnergyUtil_Nondiag
• invert_this() : sc::BlockedDiagSCMatrix , sc::BlockedSCMatrix , sc::BlockedSymmSCMatrix , sc::DiagSCMatrix , sc::DistDiagSCMatrix , sc::DistSCMatrix , sc::DistSymmSCMatrix , sc::LocalDiagSCMatrix , sc::LocalSCMatrix , sc::LocalSymmSCMatrix , sc::ReplDiagSCMatrix , sc::ReplSCMatrix , sc::ReplSymmSCMatrix , sc::SCMatrix , sc::SymmSCMatrix
• ip() : sc::AtomInfo
• IrreducibleRepresentation() : sc::IrreducibleRepresentation
• irrep() : sc::SOBasis
• is_avail() : sc::DistArray4 , sc::DistArray4_MemoryGrp , sc::DistArray4_MPIIOFile , sc::DistArray4_Node0File
• is_axis() : sc::Molecule
• is_cartesian() : sc::GaussianShell
• is_identity() : sc::sma2::IndexList
• is_identity_permutation() : sc::sma2::IndexList
• is_linear() : sc::Molecule
• is_linear_planar() : sc::Molecule
• is_local() : sc::DistArray4 , sc::DistArray4_MemoryGrp , sc::DistArray4_MPIIOFile , sc::DistArray4_Node0File
• is_planar() : sc::Molecule
• is_plane() : sc::Molecule
• is_pure() : sc::GaussianShell
• is_Q() : sc::Molecule
• is_this_local() : sc::Tensor
• iter_print() : sc::SCF