- n -
- n()
: sc::ActiveMessageGrp
, sc::CartesianIter
, sc::CorrelationTable
, sc::DerivCenters
, sc::DiagSCMatrix
, sc::FileGrp
, sc::MemoryGrp
, sc::MessageGrp
, sc::SCDimension
, sc::SCVector
, sc::SetIntCoor
, sc::SphericalTransform
, sc::SumIntCoor
, sc::SymmSCMatrix
- n_block()
: sc::sma2::Array< N >
- n_core_electrons()
: sc::Molecule
- n_element()
: sc::sma2::Array< N >
- n_element_allocated()
: sc::sma2::Array< N >
- n_non_q_atom()
: sc::Molecule
- n_q_atom()
: sc::Molecule
- nalpha()
: sc::FEMO
- name()
: sc::AtomInfo
, sc::ClassDesc
, sc::GaussianBasisSet
, sc::OrbitalSpace
, sc::SCDimension
, sc::sma2::Index
, sc::TwoBodyMOIntsTransform
, sc::TwoBodyThreeCenterMOIntsTransform
- name_to_class_desc()
: sc::ClassDesc
- nao()
: sc::Wavefunction
- naofunction()
: sc::SOBasis
- natom()
: sc::Molecule
- natoms()
: mpqc::TA::KCluster
, sc::SimpleCo
- natomtypes()
: sc::MolecularFormula
- natural_density()
: sc::Wavefunction
- natural_orbitals()
: sc::Wavefunction
- nb_recvt()
: sc::MessageGrp
- nbasis()
: sc::GaussianBasisSet
, sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::OneBodyOneCenterDerivInt
, sc::OneBodyOneCenterInt
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nbasis1()
: sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::OneBodyOneCenterDerivInt
, sc::OneBodyOneCenterInt
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nbasis2()
: sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nbasis3()
: sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
- nbasis4()
: sc::TwoBodyDerivInt
, sc::TwoBodyInt
- nbasis_on_center()
: sc::GaussianBasisSet
- nbeta()
: sc::FEMO
- nblks()
: sc::MP2R12EnergyUtil_Diag_DifferentSpin
, sc::MP2R12EnergyUtil_Diag_SameSpin
, sc::MP2R12EnergyUtil_Nondiag
- nblock()
: sc::RefDiagSCMatrix
, sc::RefSCMatrix
, sc::RefSymmSCMatrix
, sc::SCBlockInfo
, sc::sma2::Range
- nblocks()
: sc::OrbitalSpace
- nbyte()
: sc::MemAllocFailed
- ncartesian()
: sc::GaussianShell
- ncartesian_with_aminc()
: sc::GaussianShell
- ncenter()
: sc::GaussianBasisSet
- ncol()
: sc::SCMatrix
- ncolblks()
: sc::MP2R12EnergyUtil_Diag_DifferentSpin
, sc::MP2R12EnergyUtil_Diag_SameSpin
, sc::MP2R12EnergyUtil_Nondiag
- nconstrained()
: sc::IntMolecularCoor
, sc::MolecularCoor
- ncontraction()
: sc::GaussianShell
- ndim()
: sc::RDM< R >
, sc::RDMCumulant< R >
, sc::SpinFreeRDM< R >
, sc::WriteBasisGrid
, sc::WriteOrbitals
, sc::WriteVectorGrid
- need_repack_A()
: sc::sma2::RepackScheme< NC, NA, NB >
- need_repack_B()
: sc::sma2::RepackScheme< NC, NA, NB >
- need_repack_C()
: sc::sma2::RepackScheme< NC, NA, NB >
- need_t1()
: sc::CCR12_Info
- nelectron()
: mpqc::TA::SCF
, mpqc::TA::Wavefunction
, sc::CCR12
, sc::CI
, sc::Extern_RefWavefunction
, sc::ExternPT2R12
, sc::LMP2
, sc::MBPT2
, sc::OneBodyWavefunction
, sc::PsiCorrWavefunction
, sc::PsiRASCI_RefWavefunction
, sc::PsiSCF
, sc::PsiSCF_RefWavefunction
, sc::PT2R12
, sc::RefWavefunction
, sc::SD_RefWavefunction
, sc::SpinOrbitalPT2R12
, sc::SuperpositionOfAtomicDensities
, sc::Wavefunction
- nelem()
: sc::SCBlockInfo
- nequivalent()
: sc::Molecule
- new_cartesian_iter()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- new_components()
: sc::ISphericalTransformLibint2
, sc::ISphericalTransformV3
, sc::SphericalTransform
, sc::SphericalTransformLibint2
, sc::SphericalTransformV3
- new_coords()
: sc::IntMolecularCoor
- new_lock()
: sc::ProcThreadGrp
, sc::PthreadThreadGrp
, sc::PumaThreadGrp
, sc::ThreadGrp
- new_redundant_cartesian_iter()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- new_redundant_cartesian_sub_iter()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- new_spherical_transform_iter()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- next()
: mpqc::MPI::Task
, sc::CartesianIter
, sc::CartesianIterCCA
, sc::CartesianIterGAMESS
, sc::CartesianIterV3
, sc::DistSCMatrixListSubblockIter
, sc::fastpairiter::MOPairIter< PSymm >
, sc::IndexRangeIterator< NDIM >
, sc::MemoryIter
, sc::MOPairIter
, sc::RedundantCartesianIter
, sc::RedundantCartesianSubIter
, sc::SCMatrixCompositeSubblockIter
, sc::SCMatrixJointSubblockIter
, sc::SCMatrixListSubblockIter
, sc::SCMatrixNullSubblockIter
, sc::SCMatrixSimpleSubblockIter
, sc::SCMatrixSubblockIter
, sc::SpatialMOPairIter_eq
, sc::SpatialMOPairIter_neq
, sc::SpinMOPairIter
, sc::TensorIndexRangeIterator< NDIM >
, sc::TwoBodyIntBatch< NumCenters >
, sc::TwoBodyIntBatchGeneric< NumCenters >
- next_buffer()
: sc::BcastStateInBin
, sc::BcastStateRecv
, sc::MsgStateBufRecv
, sc::StateRecv
- nextobject()
: sc::StateIn
- nfblock()
: sc::GaussianBasisSetMap
- nfreq()
: sc::MolecularFrequencies
- nfunction()
: sc::GaussianShell
, sc::SOBasis
- nfunction_in_irrep()
: sc::SOBasis
- nfunctions()
: sc::R12Technology::CorrelationFactor
, sc::R12Technology::G12CorrelationFactor
, sc::R12Technology::G12NCCorrelationFactor
- nfzc()
: sc::PsiCorrWavefunction
- nfzv()
: sc::PsiCorrWavefunction
- ngamma()
: sc::CorrelationTable
- ni()
: sc::DistArray4
, sc::MOPairIter
- nij()
: sc::MOPairIter
- nij_aa()
: sc::SpatialMOPairIter
, sc::SpatialMOPairIter_eq
, sc::SpatialMOPairIter_neq
- nij_ab()
: sc::SpatialMOPairIter
, sc::SpatialMOPairIter_eq
, sc::SpatialMOPairIter_neq
- nindex()
: sc::sma2::Array< N >
, sc::sma2::Range
- nirrep()
: sc::CharacterTable
, sc::MolecularFrequencies
, sc::SOBasis
- nj()
: sc::DistArray4
, sc::MOPairIter
- nlindep()
: sc::OverlapOrthog
- nmo()
: sc::PsiSCF
- noab()
: sc::CCR12_Info
- nocc()
: sc::PsiSCF
- node()
: sc::MemoryIter
- node_to_node()
: sc::StateIn
, sc::StateOut
- non_q_atom()
: sc::Molecule
- nonnull()
: sc::Ref< T >
- nonzero_efield_supported()
: sc::MolecularEnergy
- norm()
: sc::Tensor
- normal_coordinates()
: sc::MolecularFrequencies
- normalize()
: sc::SCVector
, sc::SumIntCoor
- nparams()
: sc::IntParams
- nprimitive()
: sc::GaussianBasisSet
, sc::GaussianShell
- nprimitives()
: sc::R12Technology::CorrelationFactor
, sc::R12Technology::G12CorrelationFactor
, sc::R12Technology::G12NCCorrelationFactor
- nproc()
: sc::ExEnv
- nproj()
: sc::IrreducibleRepresentation
- nr()
: sc::EulerMaclaurinRadialIntegrator
, sc::RadialIntegrator
- nreference()
: sc::RefCount
- nrot()
: sc::IrreducibleRepresentation
- nrow()
: sc::SCMatrix
- nrowblks()
: sc::MP2R12EnergyUtil_Diag_DifferentSpin
, sc::MP2R12EnergyUtil_Diag_SameSpin
, sc::MP2R12EnergyUtil_Nondiag
- nshell()
: sc::GaussianBasisSet
, sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::OneBodyOneCenterDerivInt
, sc::OneBodyOneCenterInt
, sc::SOBasis
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nshell1()
: sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::OneBodyOneCenterDerivInt
, sc::OneBodyOneCenterInt
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nshell2()
: sc::OneBodyDerivInt
, sc::OneBodyInt
, sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
, sc::TwoBodyTwoCenterDerivInt
, sc::TwoBodyTwoCenterInt
- nshell3()
: sc::TwoBodyDerivInt
, sc::TwoBodyInt
, sc::TwoBodyThreeCenterDerivInt
, sc::TwoBodyThreeCenterInt
- nshell4()
: sc::TwoBodyDerivInt
, sc::TwoBodyInt
- nshell_on_center()
: sc::GaussianBasisSet
- nspincases1()
: sc::R12IntEval
- nspincases2()
: sc::R12IntEval
- ntasks()
: sc::DistArray4
- nthread()
: sc::ThreadGrp
- ntrans()
: sc::IrreducibleRepresentation
- nuclear()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- nuclear_charge_efield()
: sc::Molecule
- nuclear_deriv()
: sc::Integral
, sc::IntegralLibint2
, sc::IntegralV3
- nuclear_efield()
: sc::Molecule
- nuclear_repulsion_1der()
: sc::Molecule
- nuclear_repulsion_energy()
: sc::Molecule
, sc::PsiWavefunction
, sc::Wavefunction
- nuclear_repulsion_energy_gradient()
: sc::Wavefunction
- null()
: sc::R12TwoBodyIntKeyCreator
, sc::RangeCreator< T >
, sc::Ref< T >
- num_particles()
: sc::OneBodyOperDescr
, sc::TwoBodyOperDescr
- num_sets()
: sc::IntegralSetDescr< IntEval >
, sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >
, sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
- num_te_types()
: sc::DistArray4
, sc::TwoBodyMOIntsTransform
, sc::TwoBodyThreeCenterMOIntsTransform
- nunique()
: sc::Molecule
- nx()
: sc::DistArray4
- ny()
: sc::DistArray4
- nZ()
: sc::MolecularFormula
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