Here is a list of all documented class members with links to the class documentation for each member:
- o -
- O2N2
: sc::DefaultPrintThresholds
- O4
: sc::DefaultPrintThresholds
- O6
: sc::DefaultPrintThresholds
- object()
: sc::DescribedClassProxy
, sc::SavableStateProxy
- obs_eq_ribs()
: sc::R12WavefunctionWorld
- obs_eq_vbs()
: sc::R12WavefunctionWorld
- obsolete()
: sc::ExternSpinFreeRDMOne
, sc::MOIntsTransformFactory
, sc::PsiSCF
, sc::SCF
, sc::TwoBodyMOIntsTransform
, sc::RDM< R >
, sc::RDMCumulant< R >
, sc::ExternSpinFreeRDMTwo
, sc::TwoBodyThreeCenterMOIntsTransform
, sc::SpinFreeRDM< R >
, sc::Wavefunction
, sc::WavefunctionWorld
, sc::Compute
, sc::CCR12
, sc::MBPT2
, sc::MBPT2_R12
, sc::ETraIn
, sc::SpinOrbitalPT2R12
, sc::PT2R12
, sc::DensityFittingRuntime
, sc::R12WavefunctionWorld
, sc::RefWavefunction
, sc::FockBuildRuntime
, sc::SD_RefWavefunction
, sc::Extern_RefWavefunction
, sc::MOIntsRuntime
, sc::PsiCC
, sc::PsiCC_PT2R12
, sc::TwoBodyMOIntsRuntime< NumCenters >
, sc::PsiWavefunction
, sc::PsiCorrWavefunction
- obsolete_vector()
: sc::SCF
- obtain_block()
: sc::RDM< R >
, sc::RDMCumulant< R >
, sc::SpinFreeRDM< R >
- obtain_readonly()
: sc::FileGrp
, sc::ProcFileGrp
, sc::ActiveMsgMemoryGrp
, sc::MemoryGrp
, sc::ProcMemoryGrp
, sc::RDMAMemoryGrp
, sc::MemoryGrpRegion
, sc::ShmMemoryGrp
- obtain_readwrite()
: sc::FileGrp
, sc::ProcFileGrp
, sc::ActiveMsgMemoryGrp
, sc::MemoryGrp
, sc::ProcMemoryGrp
, sc::RDMAMemoryGrp
, sc::MemoryGrpRegion
, sc::ShmMemoryGrp
- obtain_writeonly()
: sc::RDMAMemoryGrp
, sc::MemoryGrpRegion
, sc::ShmMemoryGrp
, sc::FileGrp
, sc::ProcFileGrp
, sc::ActiveMsgMemoryGrp
, sc::MemoryGrp
, sc::ProcMemoryGrp
- obtensor_p_A()
: sc::R12IntEval
- OBWfnRDMOne()
: sc::OBWfnRDMOne
- OBWfnRDMTwo()
: sc::OBWfnRDMTwo
- occ()
: sc::R12IntEval
, sc::RefWavefunction
, sc::PsiRASCI
- occ_act()
: sc::R12IntEval
, sc::RefWavefunction
- occ_act_sb()
: sc::RefWavefunction
, sc::PsiCC
, sc::PsiCorrWavefunction
- occ_sb()
: sc::RefWavefunction
- occindexmap_occ()
: sc::ExternMOInfo
- occpi()
: sc::PsiSCF
- occupation()
: sc::PsiSCF
, sc::CLSCF
, sc::HSOSSCF
, sc::OSSSCF
, sc::TCSCF
, sc::UnrestrictedSCF
, sc::ExtendedHuckelWfn
, sc::OneBodyWavefunction
, sc::HCoreWfn
- offset()
: sc::FileGrp
, sc::MemoryIter
, sc::MemoryGrp
- offset_f1()
: sc::CCR12_Info
- offset_t1()
: sc::CCR12_Info
- omitted_atom()
: sc::DerivCenters
- omitted_center()
: sc::DerivCenters
- OneBodyWavefunction()
: sc::OneBodyWavefunction
- onepdm()
: sc::PsiCorrWavefunction
- onepdm_occ()
: sc::PsiRASCI
- onepdm_refmo()
: sc::PsiCorrWavefunction_PT2R12
- onepdm_refmo_HF()
: sc::PsiCorrWavefunction_PT2R12
- onepdm_transformed()
: sc::PsiCorrWavefunction_PT2R12
- oodim_
: sc::MP2R12EnergyUtil_base
, sc::MP2R12EnergyUtil_Diag
- open()
: sc::FileGrp
, sc::StateOutBin
, sc::StateInBin
, sc::StateOutFile
, sc::StateInFile
- operate()
: sc::ShellRotation
, sc::SymmetryOperation
, sc::SymRep
- operation()
: sc::FileOperationFailed
- operator int()
: sc::PureSpinPairIter
, sc::fastpairiter::MOPairIter< PSymm >
, sc::SCMatrixBlockIter
, sc::SCMatrixRectBlockIter
, sc::SCMatrixRectSubBlockIter
, sc::SCMatrixLTriBlockIter
, sc::SCMatrixLTriSubBlockIter
, sc::SCMatrixDiagBlockIter
, sc::SCMatrixDiagSubBlockIter
, sc::SCVectorSimpleBlockIter
, sc::SCVectorSimpleSubBlockIter
, sc::RefSCDimension
, sc::CartesianIterCCA
, MPQC::CartesianIterCCA
, sc::CartesianIter
, sc::RedundantCartesianIter
, sc::RedundantCartesianSubIter
, sc::CartesianIterCints
, sc::CartesianIterV3
, sc::CartesianIterGAMESS
, sc::MOPairIter
, sc::SpatialMOPairIter_eq
, sc::SpatialMOPairIter_neq
, sc::SpinMOPairIter
- operator SymmetryOperation()
: sc::SymRep
- operator!=()
: sc::Identifier
- operator()()
: sc::GaussianBasisSet
, sc::ShellRotation
, sc::RangeCreator< T >
, sc::DistArray4Creator
, sc::TwoBodyIntDescrCreator
, sc::R12TwoBodyIntKeyCreator
, sc::GaussianFit< Function, Weight >
, sc::SymRep
, sc::FermionBasicNCOper< 1, FermionOccupationBitString< Ns > >
, sc::RefSCVector
, sc::RefSCMatrix
, sc::RefSymmSCMatrix
, sc::RefDiagSCMatrix
, sc::SymmetryOperation
, sc::SymRep
- operator*()
: sc::RefDiagSCMatrix
, sc::RefSCVector
, sc::RefSCMatrix
, sc::RefSymmSCMatrix
, sc::Ref< T >
- operator*=()
: sc::sma2::Array< N >
- operator+()
: sc::RefSCVector
, sc::GaussianBasisSet
, sc::RefSCMatrix
, sc::RefSymmSCMatrix
, sc::RefDiagSCMatrix
- operator++()
: sc::SCMatrixBlockIter
, sc::SCMatrixRectBlockIter
, sc::SCMatrixRectSubBlockIter
, sc::SCMatrixLTriBlockIter
, sc::SCMatrixLTriSubBlockIter
, sc::SCMatrixDiagBlockIter
, sc::SCMatrixDiagSubBlockIter
, sc::SCVectorSimpleSubBlockIter
, sc::SCVectorSimpleBlockIter
, sc::sma2::BlockIter< N >
- operator-()
: sc::RefSCVector
, sc::RefSCMatrix
- operator->()
: sc::Ref< T >
- operator<()
: sc::Identifier
- operator<<()
: sc::Ref< T >
, sc::RefSCDimension
, sc::Ref< T >
- operator<=()
: sc::Identifier
- operator=()
: sc::ShellRotation
, sc::sma2::Array< N >
, sc::RefSCDimension
, sc::RefSCVector
, sc::RefSCMatrix
, sc::RefSymmSCMatrix
, sc::RefDiagSCMatrix
, sc::auto_vec< T >
, sc::Identifier
, sc::Ref< T >
, sc::RefSymmSCMatrix
, sc::RefSCVector
- operator==()
: sc::sma2::Index
, sc::Identifier
, sc::Ref< T >
- operator>()
: sc::Identifier
- operator>=()
: sc::Identifier
- operator>>()
: sc::Keyword
- operator[]()
: sc::GaussianBasisSet
, sc::ShellRotation
, sc::SymRep
, sc::RefSCVector
, sc::SimpleCo
, sc::GaussianBasisSet
, sc::SymmetryOperation
, sc::SymRep
, sc::auto_vec< T >
- operator|=()
: sc::sma2::ContractPart< N >
- operator~()
: sc::sma2::ContractPart< N >
- operset()
: sc::IntegralSetDescr< IntEval >
, sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
- Optimize()
: sc::Optimize
- optimize()
: sc::Optimize
- Optimize()
: sc::Optimize
- OptType
: sc::GetLongOpt
- orbital()
: sc::OneBodyWavefunction
- orbital_registry()
: sc::R12IntEval
, sc::MOIntsTransformFactory
- OrbitalProduct_gg
: sc::R12Technology
- OrbitalProduct_GG
: sc::R12Technology
- orbitals()
: sc::OneBodyWavefunction
- OrbitalSpace()
: sc::OrbitalSpace
- OrbitalSpaceUnion()
: sc::OrbitalSpaceUnion
- orbs()
: sc::ExternSpinFreeRDMOne
, sc::PsiRDMTwo
, sc::OBWfnRDMTwo
, sc::OBWfnRDMOne
, sc::ExternMOInfo
, sc::RefWavefunction
, sc::SpinFreeRDM< R >
, sc::ExternSpinFreeRDMTwo
, sc::RDM< R >
, sc::PsiRDMOne
, sc::R12IntEval
- orbs_sb()
: sc::PsiCorrWavefunction
, sc::PsiRASCI
, sc::PsiSCF
, sc::RefWavefunction
- orbs_sb_
: sc::PsiRASCI
- orbsym()
: sc::OrbitalSpace
- order()
: sc::PointGroup
, sc::IrreducibleRepresentation
, sc::CharacterTable
- ordm()
: sc::PsiSCF_RefWavefunction
, sc::Extern_RefWavefunction
, sc::PsiRASCI_RefWavefunction
, sc::SD_RefWavefunction
, sc::R12IntEval
, sc::RefWavefunction
- ordm_av()
: sc::R12IntEval
- ordm_orbs_sb()
: sc::RefWavefunction
- origin()
: sc::PointGroup
- orthog_method()
: sc::Wavefunction
, sc::OverlapOrthog
- orthog_so_to_mo()
: sc::OneBodyWavefunction
- OrthogMethod
: sc::OverlapOrthog
- oso_dimension()
: sc::Wavefunction
- oso_eigenvectors()
: sc::OneBodyWavefunction
, sc::SCF
, sc::HCoreWfn
, sc::ExtendedHuckelWfn
- oso_space()
: sc::RefWavefunction
- out0()
: sc::ExEnv
- outer_product()
: sc::RefSCVector
- outn()
: sc::ExEnv
- OutSimpleCo()
: sc::OutSimpleCo
- overlap()
: sc::Wavefunction
, sc::IntegralV3
, sc::IntegralCints
, sc::IntegralCCA
, sc::Integral
, sc::IntegralLibint2
- overlap_deriv()
: sc::IntegralV3
, sc::IntegralCCA
, sc::IntegralCints
, sc::IntegralLibint2
, sc::Integral
- overlap_inverse()
: sc::OverlapOrthog
- OverlapOrthog()
: sc::OverlapOrthog
- override()
: sc::StateIn