Here is a list of all documented functions with links to the class documentation for each member:
- o -
- Object() : mpqc::detail::File::Object
- object() : sc::DescribedClassProxy, sc::SavableStateProxy
- obs_eq_ribs() : sc::R12WavefunctionWorld
- obs_eq_vbs() : sc::R12WavefunctionWorld
- obsolete() : mpqc::TA::Wavefunction, sc::CCR12, sc::Compute, sc::DensityFittingInfo, sc::DensityFittingRuntime, sc::ETraIn, sc::Extern_RefWavefunction, sc::ExternPT2R12, sc::ExternSpinFreeRDMOne, sc::ExternSpinFreeRDMTwo, sc::FockBuildRuntime, sc::ManyBodyWavefunction, sc::MBPT2, sc::MBPT2_R12, sc::MOIntsRuntime, sc::MOIntsTransformFactory, sc::MolcasPT2R12, sc::PsiCC, sc::PsiCC_PT2R12, sc::PsiCorrWavefunction, sc::PsiSCF, sc::PsiWavefunction, sc::PT2R12, sc::R12WavefunctionWorld, sc::RDM< R >, sc::RDMCumulant< R >, sc::RefWavefunction, sc::SCF, sc::SpinFreeRDM< R >, sc::SpinOrbitalPT2R12, sc::SuperpositionOfAtomicDensities, sc::TwoBodyMOIntsRuntime< NumCenters >, sc::TwoBodyMOIntsTransform, sc::TwoBodyThreeCenterMOIntsTransform, sc::Wavefunction, sc::WavefunctionWorld
- obsolete_vector() : sc::SCF
- obtain_block() : sc::RDM< R >, sc::RDMCumulant< R >, sc::SpinFreeRDM< R >
- obtain_readonly() : sc::ActiveMsgMemoryGrp, sc::FileGrp, sc::MemoryGrp, sc::MemoryGrpRegion, sc::ProcFileGrp, sc::ProcMemoryGrp, sc::RDMAMemoryGrp, sc::ShmMemoryGrp
- obtain_readwrite() : sc::ActiveMsgMemoryGrp, sc::FileGrp, sc::MemoryGrp, sc::MemoryGrpRegion, sc::ProcFileGrp, sc::ProcMemoryGrp, sc::RDMAMemoryGrp, sc::ShmMemoryGrp
- obtain_writeonly() : sc::ActiveMsgMemoryGrp, sc::FileGrp, sc::MemoryGrp, sc::MemoryGrpRegion, sc::ProcFileGrp, sc::ProcMemoryGrp, sc::RDMAMemoryGrp, sc::ShmMemoryGrp
- obtensor_p_A() : sc::R12IntEval
- OBWfnRDMOne() : sc::OBWfnRDMOne
- OBWfnRDMTwo() : sc::OBWfnRDMTwo
- occ() : sc::PopulatedOrbitalSpace, sc::PsiRASCI, sc::R12IntEval, sc::RefWavefunction
- occ_act() : sc::PopulatedOrbitalSpace, sc::R12IntEval, sc::RefWavefunction
- occ_act_sb() : sc::PopulatedOrbitalSpace, sc::PsiCC, sc::RefWavefunction
- occ_frz() : sc::PopulatedOrbitalSpace, sc::RefWavefunction
- occ_frz_sb() : sc::PopulatedOrbitalSpace, sc::RefWavefunction
- occ_sb() : sc::PopulatedOrbitalSpace, sc::PsiCC, sc::RefWavefunction
- occindexmap_occ() : sc::ExternMOInfo
- occpi() : sc::PsiSCF
- occupation() : mpqc::TA::SCF, sc::CLSCF, sc::ExtendedHuckelWfn, sc::HCoreWfn, sc::HSOSSCF, sc::OneBodyWavefunction, sc::OSSSCF, sc::PsiSCF, sc::SuperpositionOfAtomicDensities, sc::TCSCF, sc::UnrestrictedSCF
- offset() : sc::FileGrp, sc::MemoryGrp, sc::MemoryIter
- offset_f1() : sc::CCR12_Info
- offset_t1() : sc::CCR12_Info
- omitted_atom() : sc::DerivCenters
- omitted_center() : sc::DerivCenters
- OneBodyWavefunction() : sc::OneBodyWavefunction
- onepdm_occ() : sc::PsiRASCI
- open() : sc::FileGrp, sc::StateInBin, sc::StateInFile, sc::StateOutBin, sc::StateOutFile
- operate() : sc::ShellRotation, sc::SymmetryOperation, sc::SymRep
- operation() : sc::FileOperationFailed
- operator bool() : sc::StringReplacementListIterator< FString, R, GenerateStrings >
- operator boost::array< range, N >() : mpqc::range::tie< Tuple >
- operator int() : sc::CartesianIter, sc::CartesianIterCCA, sc::CartesianIterGAMESS, sc::CartesianIterV3, sc::fastpairiter::MOPairIter< PSymm >, sc::MOPairIter, sc::RedundantCartesianIter, sc::RedundantCartesianSubIter, sc::RefSCDimension, sc::SCMatrixBlockIter, sc::SCMatrixDiagBlockIter, sc::SCMatrixDiagSubBlockIter, sc::SCMatrixLTriBlockIter, sc::SCMatrixLTriSubBlockIter, sc::SCMatrixRectBlockIter, sc::SCMatrixRectSubBlockIter, sc::SCVectorSimpleBlockIter, sc::SCVectorSimpleSubBlockIter, sc::SpatialMOPairIter_eq, sc::SpatialMOPairIter_neq, sc::SpinMOPairIter
- operator MemberType() : sc::property< ClassType, MemberType >
- operator std::string() : mpqc::ci::String
- operator std::vector< range >() : mpqc::range::tie< Tuple >
- operator SymmetryOperation() : sc::SymRep
- operator TA::Tensor< TA::Tensor< T > >() : sc::DA4_Tile34< T >
- operator!=() : ShellBlockIterator< range_type >
- operator()() : mpqc::Array< T >, mpqc::ci::Vector, mpqc::File::Dataset< T >, mpqc::File::Dataspace< T_ >, mpqc::lcao::Integrals< RefEngine >, mpqc::matrix< T, Order >, mpqc::TensorBase< T, N, Order >, mpqc::vector< T >, sc::detail::_CABS_singles_h0t1< T >, sc::detail::_OrbResponse< T >, sc::detail::Orbital_relaxation_Abjai< T >, sc::DistArray4Creator, sc::FermionBasicNCOper< Nb, FString >, sc::FermionBasicNCOper< 1, FString >, sc::GaussianBasisSet, sc::GaussianFit< Function, Weight >, sc::R12TwoBodyIntKeyCreator, sc::RangeCreator< T >, sc::RefDiagSCMatrix, sc::RefSCMatrix, sc::RefSCVector, sc::RefSymmSCMatrix, sc::ShellRotation, sc::SymmetryOperation, sc::SymRep, sc::TwoBodyIntDescrCreator
- operator*() : sc::Ref< T >, sc::RefDiagSCMatrix, sc::RefSCMatrix, sc::RefSCVector, sc::RefSymmSCMatrix
- operator*=() : mpqc::TensorRef< T, N, Order >, sc::sma2::Array< N >
- operator+() : sc::GaussianBasisSet, sc::RefDiagSCMatrix, sc::RefSCMatrix, sc::RefSCVector, sc::RefSymmSCMatrix
- operator++() : mpqc::MPI::Task, sc::SCMatrixBlockIter, sc::SCMatrixDiagBlockIter, sc::SCMatrixDiagSubBlockIter, sc::SCMatrixLTriBlockIter, sc::SCMatrixLTriSubBlockIter, sc::SCMatrixRectBlockIter, sc::SCMatrixRectSubBlockIter, sc::SCVectorSimpleBlockIter, sc::SCVectorSimpleSubBlockIter, sc::sma2::BlockIter< N >
- operator+=() : mpqc::TensorRef< T, N, Order >
- operator-() : sc::RefSCMatrix, sc::RefSCVector
- operator-=() : mpqc::TensorRef< T, N, Order >
- operator->() : sc::Ref< T >
- operator/=() : mpqc::TensorRef< T, N, Order >
- operator<<() : sc::Ref< T >
- operator=() : mpqc::ci::Vector::Block2d, mpqc::TensorRef< T, N, Order >, sc::auto_vec< T >, sc::property< ClassType, MemberType >, sc::Ref< T >, sc::RefDiagSCMatrix, sc::RefSCDimension, sc::RefSCMatrix, sc::RefSCVector, sc::RefSymmSCMatrix, sc::ShellRotation, sc::sma2::Array< N >
- operator==() : mpqc::ci::Subspace< Spin >, mpqc::ci::Subspace< Any >, sc::Ref< T >, sc::sma2::Index
- operator>>() : sc::Keyword
- operator[]() : mpqc::File::Dataset< T >, mpqc::File::Dataspace< T_ >, sc::auto_vec< T >, sc::FermionOccupationBlockString, sc::GaussianBasisSet, sc::RefSCVector, sc::ShellRotation, sc::SimpleCo, sc::SymmetryOperation, sc::SymRep
- operator^() : sc::FermionOccupationBlockString
- operator|=() : sc::sma2::ContractPart< N >
- operator~() : sc::sma2::ContractPart< N >
- operset() : sc::IntegralSetDescr< IntEval >, sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >, sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >
- Optimize() : sc::Optimize
- optimize() : sc::Optimize
- orbital() : sc::OneBodyWavefunction
- orbital_registry() : sc::MOIntsTransformFactory, sc::PopulatedOrbitalSpace, sc::R12IntEval
- Orbital_relaxation_Abjai() : sc::detail::Orbital_relaxation_Abjai< T >
- orbitals() : sc::OneBodyWavefunction
- OrbitalSpace() : sc::OrbitalSpace
- OrbitalSpaceUnion() : sc::OrbitalSpaceUnion
- orbs() : sc::ExternMOInfo, sc::ExternSpinFreeRDMOne, sc::ExternSpinFreeRDMTwo, sc::OBWfnRDMOne, sc::OBWfnRDMTwo, sc::PopulatedOrbitalSpace, sc::PsiRDMOne, sc::PsiRDMTwo, sc::PsiSpinFreeRDMOne, sc::PsiSpinFreeRDMTwo, sc::R12IntEval, sc::RDM< R >, sc::RefWavefunction, sc::SpinFreeRDM< R >
- orbs_sb() : sc::PopulatedOrbitalSpace, sc::PsiCorrWavefunction, sc::PsiRASCI, sc::PsiSCF, sc::RefWavefunction
- orbsym() : sc::OrbitalSpace
- order() : sc::CharacterTable, sc::IrreducibleRepresentation, sc::PointGroup
- ordered_shells() : mpqc::TA::ShellOrder
- ordm() : sc::Extern_RefWavefunction, sc::PsiRASCI_RefWavefunction, sc::PsiSCF_RefWavefunction, sc::R12IntEval, sc::RefWavefunction, sc::SD_RefWavefunction
- ordm_av() : sc::R12IntEval
- ordm_occ_sb() : sc::RefWavefunction
- ordm_orbs_sb() : sc::RefWavefunction
- origin() : sc::PointGroup
- orthog_method() : sc::OverlapOrthog, sc::Wavefunction
- orthog_so_to_mo() : sc::OneBodyWavefunction
- oso_dimension() : sc::Wavefunction
- oso_eigenvectors() : sc::ExtendedHuckelWfn, sc::HCoreWfn, sc::OneBodyWavefunction, sc::SCF, sc::SuperpositionOfAtomicDensities
- oso_space() : sc::RefWavefunction
- OSSSCF() : sc::OSSSCF
- out0() : sc::ExEnv
- outer_product() : sc::RefSCVector
- outn() : sc::ExEnv
- OutSimpleCo() : sc::OutSimpleCo
- overlap() : sc::Integral, sc::IntegralLibint2, sc::IntegralV3, sc::Wavefunction
- overlap_deriv() : sc::Integral, sc::IntegralLibint2, sc::IntegralV3
- overlap_inverse() : sc::OverlapOrthog
- OverlapOrthog() : sc::OverlapOrthog
- override() : sc::StateIn