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# MPQC Compound Members

a | b | c | d | e | f | g | h | i | j | k | l | m | n | o | p | q | r | s | t | u | v | w | x | z | ~

Here is a list of all documented class members with links to the classes they belong to:

### - a -

- a() : sc::SphericalTransform, sc::SphericalTransformComponent, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- access() : sc::SCMatrixSubblockIter
- accum() : sc::SCMatrixBlockIter
- accumulate() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- accumulate_element() : sc::SCVector
- accumulate_outer_product() : sc::SCMatrix
- accumulate_product() : sc::SCVector
- accumulate_row() : sc::SymmSCMatrix, sc::SCMatrix
- accumulate_scaled() : sc::SCExtrapData
- accumulate_subblock() : sc::SymmSCMatrix, sc::SCMatrix
- accumulate_symmetric_sum() : sc::SymmSCMatrix
- accumulate_transform() : sc::RefSymmSCMatrix
- activate() : sc::MemoryGrp, sc::MTMPIMemoryGrp, sc::FileGrp
- actual_value_accuracy() : sc::Function
- add() : sc::SphericalTransform, sc::SetIntCoor, sc::SumIntCoor
- add_atom() : sc::Molecule
- add_center() : sc::DerivCenters
- add_func() : sc::SOTransformShell
- add_omitted() : sc::DerivCenters
- add_thread() : sc::ThreadGrp, sc::PthreadThreadGrp
- add_transform() : sc::SOTransform
- adjust_storage() : sc::Integral
- AggregateKeyVal() : sc::AggregateKeyVal
- all_blocks() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- all_to_cartesian() : sc::IntMolecularCoor
- all_to_internal() : sc::IntMolecularCoor
- alpha_ao_density() : sc::Wavefunction
- alpha_density() : sc::Wavefunction, sc::UnrestrictedSCF, sc::HSOSSCF
- alpha_occupation() : sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::HSOSSCF
- alpha_vmat() : sc::DenIntegrator
- am() : sc::ShellRotation, sc::GaussianShell
- amchar() : sc::GaussianShell
- ao_density() : sc::Wavefunction
- ao_dimension() : sc::Wavefunction
- aofunc : sc::SOTransformFunction
- aoshell : sc::SOTransform, sc::SOTransformShell
- argc() : sc::ExEnv
- argv() : sc::ExEnv
- assign() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- assign_pointer() : sc::Ref< T >
- assign_row() : sc::SymmSCMatrix, sc::SCMatrix
- assign_subblock() : sc::SymmSCMatrix, sc::SCMatrix
- assign_val() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- atom() : sc::DerivCenters
- atom_at_position() : sc::Molecule
- atom_label_to_index() : sc::Molecule
- atom_to_unique() : sc::Molecule
- atom_to_unique_offset() : sc::Molecule
- atomic_radius_scale() : sc::AtomInfo
- atominfo() : sc::Molecule
- auto_vec() : sc::auto_vec< T >
- axis() : sc::RedundantCartesianSubIter, sc::RedundantCartesianIter

### - b -

- b() : sc::SphericalTransform, sc::SphericalTransformComponent, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- basic_probe() : sc::ShmMessageGrp, sc::intMessageGrp
- basic_recv() : sc::ShmMessageGrp, sc::intMessageGrp
- basic_send() : sc::ShmMessageGrp, sc::intMessageGrp
- basis() : sc::Wavefunction, sc::TwoBodyDerivInt, sc::TwoBodyInt, sc::OneBodyDerivInt, sc::OneBodyInt
- basis_matrixkit() : sc::Wavefunction
- basis_to_orthog_basis() : sc::OverlapOrthog
- basis_to_orthog_basis_inverse() : sc::OverlapOrthog
- basisdim() : sc::GaussianBasisSet
- bcast() : sc::BcastState, sc::MessageGrp
- BcastState() : sc::BcastState
- BcastStateInBin() : sc::BcastStateInBin
- BcastStateRecv() : sc::BcastStateRecv
- BcastStateSend() : sc::BcastStateSend
- begin() : sc::SCMatrixSubblockIter
- beta_ao_density() : sc::Wavefunction
- beta_density() : sc::Wavefunction, sc::UnrestrictedSCF, sc::HSOSSCF
- beta_occupation() : sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::HSOSSCF
- beta_vmat() : sc::DenIntegrator
- bfn() : sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- block() : sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::SCMatrixSubblockIter
- blocks() : sc::SCDimension
- bmat() : sc::SimpleCo, sc::SetIntCoor, sc::SumIntCoor, sc::IntCoor
- booleanvalue() : sc::KeyVal
- bragg_radius_scale() : sc::AtomInfo
- buffer() : sc::TwoBodyIntCints, sc::Int2eCints, sc::GRTCints, sc::EriCints, sc::TwoBodyDerivInt, sc::TwoBodyInt, sc::OneBodyDerivInt, sc::OneBodyInt

### - c -

- c() : sc::SphericalTransform, sc::SphericalTransformComponent, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- c2_x() : sc::SymRep, sc::SymmetryOperation
- c2_y() : sc::SymRep, sc::SymmetryOperation
- calc_force_con() : sc::SimpleCo
- calc_intco() : sc::SimpleCo
- cartesian_hessian() : sc::FinDispMolecularHessian
- CartesianIter() : sc::CartesianIter
- cartindex() : sc::SphericalTransform, sc::SphericalTransformComponent
- CartMolecularCoor() : sc::CartMolecularCoor
- cat_files() : sc::ParsedKeyVal
- catchup() : sc::MemoryGrp, sc::FileGrp
- center() : sc::DerivCenters
- center_of_mass() : sc::Molecule
- change_coordinates() : sc::Function, sc::MolecularEnergy, sc::SymmMolecularCoor, sc::MolecularCoor
- char_table() : sc::PointGroup
- character() : sc::IrreducibleRepresentation
- CharacterTable() : sc::CharacterTable
- charge() : sc::Wavefunction, sc::Molecule
- charges() : sc::Molecule
- charvalue() : sc::KeyVal
- check_pointer() : sc::Ref< T >
- checkpoint() : sc::FinDispMolecularHessian
- class_desc() : sc::DescribedClass, sc::ClassDesc
- class_name() : sc::DescribedClass
- class_version() : sc::DescribedClass
- classdesc_to_index() : sc::MessageGrp
- classname() : sc::ParsedKeyVal, sc::StringKeyVal
- cleanup_molecule() : sc::Molecule
- clear() : sc::Ref< T >, sc::AssignedKeyVal, sc::DerivCenters, sc::SetIntCoor
- clone() : sc::ProcThreadGrp, sc::ThreadGrp, sc::PthreadThreadGrp, sc::ShmMessageGrp, sc::MPIMessageGrp, sc::ProcMessageGrp, sc::MessageGrp, sc::ProcFileGrp, sc::FileGrp, sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::SCElementOp, sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector, sc::OneBodyIntV3, sc::IntegralV3, sc::OneBodyIntCints, sc::IntegralCints, sc::OneBodyInt, sc::Integral
- cloneable() : sc::SCElementOp, sc::OneBodyIntV3, sc::OneBodyIntCints, sc::OneBodyInt
- close() : sc::StateInFile, sc::StateOutFile, sc::StateOutBin, sc::FileGrp
- CLSCF() : sc::CLSCF
- coef : sc::SphericalTransform, sc::SphericalTransformComponent, sc::SOTransformFunction
- coefficient_norm() : sc::GaussianShell
- coefficient_unnorm() : sc::GaussianShell
- collect() : sc::SCElementOp
- commgrp : sc::MPIMessageGrp
- compare() : sc::Ref< T >
- complex() : sc::CharacterTable, sc::IrreducibleRepresentation
- compute() : sc::Compute, sc::Volume, sc::Shape, sc::SCF, sc::PsiWavefunction, sc::MBPT2_R12, sc::MBPT2
- compute_frequencies() : sc::MolecularFrequencies
- compute_hessian_from_gradients() : sc::FinDispMolecularHessian
- compute_multipole_ints() : sc::R12IntEvalInfo
- compute_quartet() : sc::Int2eCints, sc::GRTCints, sc::EriCints
- compute_shell() : sc::TwoBodyDerivIntV3, sc::TwoBodyIntV3, sc::OneBodyIntV3, sc::TwoBodyDerivIntCints, sc::TwoBodyIntCints, sc::OneBodyIntCints, sc::TwoBodyDerivInt, sc::TwoBodyInt, sc::OneBodyInt
- converged() : sc::Convergence
- Convergence() : sc::Convergence
- convert() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- coor() : sc::SetIntCoor
- copy() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector, sc::SCExtrapData
- copy_references() : sc::StateOut
- core_hamiltonian() : sc::Wavefunction
- CorrelationTable() : sc::CorrelationTable
- count() : sc::KeyVal
- create() : sc::ClassDesc
- create_described_class() : sc::ClassDesc
- ctype() : sc::SumIntCoor, sc::IntCoor

### - d -

- dat() : sc::SCMatrixDiagBlock, sc::SCMatrixLTriBlock, sc::SCMatrixRectBlock, sc::SCVectorSimpleBlock, sc::SCMatrixBlock
- deactivate() : sc::MemoryGrp, sc::MTMPIMemoryGrp, sc::ARMCIMemoryGrp, sc::FileGrp
- debug() : sc::Debugger
- Debugger() : sc::Debugger
- deepcopy() : sc::SCMatrixDiagBlock, sc::SCMatrixLTriBlock, sc::SCMatrixRectBlock, sc::SCVectorSimpleBlock, sc::SCMatrixBlock
- default_cmd() : sc::Debugger
- default_debugger() : sc::Debugger
- default_matrixkit() : sc::SCMatrixKit
- degen() : sc::CorrelationTable
- degeneracy() : sc::IrreducibleRepresentation
- DenIntegrator() : sc::DenIntegrator
- density() : sc::Wavefunction, sc::UnrestrictedSCF, sc::HSOSSCF, sc::CLSCF, sc::PsiWavefunction, sc::MBPT2_R12, sc::MBPT2
- dereference() : sc::RefCount
- DerivCenters() : sc::DerivCenters
- describedclassvalue() : sc::KeyVal
- desired_value_accuracy() : sc::Function
- determ() : sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix
- determ_this() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix
- DFPUpdate() : sc::DFPUpdate
- diagonalize() : sc::RefSymmSCMatrix, sc::SymmSCMatrix
- DIIS() : sc::DIIS
- dim() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCVector, sc::ShellRotation, sc::CartMolecularCoor, sc::IntMolecularCoor, sc::MolecularCoor
- dim_ : sc::Function
- dim_natom3() : sc::MolecularCoor
- dimension() : sc::Function
- dipole() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- dir_getobject() : sc::StateIn
- DistShellPairR12() : sc::DistShellPairR12
- do_change_coordinates() : sc::Function
- do_value() : sc::Function
- done() : sc::BeckeIntegrationWeight, sc::IntegrationWeight, sc::DenIntegrator
- done_storage() : sc::Int2eCints
- doublevalue() : sc::KeyVal
- dump() : sc::ParsedKeyVal, sc::PrefixKeyVal, sc::AggregateKeyVal, sc::StringKeyVal, sc::KeyVal

### - e -

- E() : sc::SymRep, sc::SymmetryOperation
- EFCOpt() : sc::EFCOpt
- efield_dot_vector() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- eigenvalues() : sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::SCF
- eigenvectors() : sc::OneBodyWavefunction, sc::UnrestrictedSCF
- eigvals() : sc::RefSymmSCMatrix
- eigvecs() : sc::RefSymmSCMatrix
- electron_repulsion() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- electron_repulsion_deriv() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- element_op() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- energy() : sc::MP2R12Energy, sc::MolecularEnergy
- equiv() : sc::PointGroup, sc::SCDimension, sc::SCBlockInfo, sc::Integral, sc::GaussianShell, sc::GaussianBasisSet
- equivalent() : sc::SimpleCo, sc::Molecule, sc::SumIntCoor, sc::IntCoor
- err0() : sc::ExEnv
- errn() : sc::ExEnv
- error() : sc::KeyVal, sc::CorrelationTable, sc::SCExtrapError
- errormsg() : sc::KeyVal
- errortrace() : sc::ParsedKeyVal, sc::PrefixKeyVal, sc::AggregateKeyVal, sc::StringKeyVal, sc::KeyVal
- exists() : sc::KeyVal
- exponent() : sc::GaussianShell
- extent() : sc::GaussianShell

### - f -

- fd_bmat() : sc::SetIntCoor
- fence() : sc::SCBlockInfo
- floatvalue() : sc::KeyVal
- flush() : sc::StateOut, sc::StateOutFile, sc::BcastState, sc::BcastStateSend, sc::StateSend, sc::MsgStateSend
- force_constant() : sc::SimpleCo, sc::SumIntCoor, sc::IntCoor
- forget_references() : sc::StateOut, sc::BcastState
- form_coordinates() : sc::RedundMolecularCoor, sc::SymmMolecularCoor, sc::IntMolecularCoor
- format_code() : sc::TranslateDataByteSwap, sc::TranslateData
- formula() : sc::MolecularFormula
- free_local() : sc::MemoryGrp, sc::ARMCIMemoryGrp
- freq() : sc::MolecularFrequencies
- from() : sc::Units
- from_atomic_units() : sc::Units
- func : sc::SOTransformShell
- function() : sc::Optimize, sc::SOBasis
- Function() : sc::Function
- function_offset_for_irrep() : sc::SOBasis
- function_offset_within_shell() : sc::SOBasis
- function_to_shell() : sc::GaussianBasisSet
- function_within_irrep() : sc::SOBasis

### - g -

- gamma() : sc::CharacterTable, sc::CorrelationTable
- GaussianBasisSet() : sc::GaussianBasisSet
- GaussianShell() : sc::GaussianShell
- gen_invert_this() : sc::DiagSCMatrix
- generate() : sc::IntCoorGen
- get() : sc::TranslateDataIn, sc::StateIn, sc::StateInText, sc::auto_vec< T >, sc::MsgStateRecv, sc::SCMatrixBlockIter
- get_array_char() : sc::StateIn, sc::StateInText
- get_cartesian_gradient() : sc::MolecularEnergy
- get_cartesian_hessian() : sc::MolecularEnergy
- get_cartesian_x() : sc::MolecularEnergy
- get_cwd() : sc::PsiExEnv
- get_default_filegrp() : sc::FileGrp
- get_default_integral() : sc::Integral
- get_default_memorygrp() : sc::MemoryGrp
- get_default_messagegrp() : sc::MessageGrp
- get_element() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- get_filename() : sc::FileGrp
- get_fileprefix() : sc::PsiExEnv
- get_grad() : sc::Convergence
- get_header() : sc::StateIn
- get_nscratch() : sc::PsiExEnv
- get_psi_exenv() : sc::PsiWavefunction
- get_psi_file11() : sc::PsiExEnv
- get_psi_input() : sc::PsiWavefunction, sc::PsiExEnv
- get_row() : sc::SymmSCMatrix, sc::SCMatrix
- get_scratch() : sc::PsiExEnv
- get_subblock() : sc::SymmSCMatrix, sc::SCMatrix
- get_task() : sc::DistShellPairR12, sc::DistShellPair
- get_x_reference() : sc::Function
- getobject() : sc::StateIn, sc::StateInText
- getstring() : sc::StateIn, sc::StateInText
- gi() : sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix
- got_signal() : sc::Debugger
- grad_shell_values() : sc::GaussianBasisSet
- grad_values() : sc::GaussianShell, sc::GaussianBasisSet
- gradient_ : sc::Function
- group() : sc::CorrelationTable
- grplock : sc::MPIMessageGrp
- grt() : sc::IntegralCints, sc::Integral
- guess_hessian() : sc::Function, sc::MolecularEnergy, sc::CartMolecularCoor, sc::RedundMolecularCoor, sc::SymmMolecularCoor, sc::MolecularCoor, sc::SetIntCoor

### - h -

- handle() : sc::Debugger
- handle_defaults() : sc::Debugger
- has_collect() : sc::SCElementOp
- has_inversion() : sc::Molecule
- has_omitted_center() : sc::DerivCenters
- has_pure() : sc::GaussianShell
- has_side_effects() : sc::SCElementOp
- have_unseen() : sc::ParsedKeyVal, sc::KeyVal
- haveobject() : sc::StateIn
- hcore() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- hcore_deriv() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- hcore_guess() : sc::OneBodyWavefunction
- hessian() : sc::MolecularEnergy
- hessian_ : sc::Function
- hessian_shell_values() : sc::GaussianBasisSet
- hessian_values() : sc::GaussianShell, sc::GaussianBasisSet
- highest_point_group() : sc::Molecule
- hostname() : sc::ExEnv
- HSOSSCF() : sc::HSOSSCF

### - i -

- i() : sc::SymRep, sc::SymmetryOperation, sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::SCMatrixBlockIter
- Identifier() : sc::Identifier
- identifier() : sc::Identity
- if_to_checkpoint() : sc::MolecularEnergy
- init() : sc::ExEnv, sc::MPIMessageGrp, sc::IrreducibleRepresentation, sc::QNewtonOpt, sc::Optimize, sc::EFCOpt, sc::DistShellPairR12, sc::DistShellPair, sc::BeckeIntegrationWeight, sc::IntegrationWeight, sc::DenIntegrator, sc::ISphericalTransform, sc::SphericalTransform, sc::SphericalTransformComponent, sc::ShellRotation, sc::CartMolecularCoor, sc::SymmMolecularCoor, sc::IntMolecularCoor
- init_pure() : sc::ShellRotation
- init_storage() : sc::Int2eCints
- initial_filegrp() : sc::FileGrp
- initial_integral() : sc::Integral
- initial_memorygrp() : sc::MemoryGrp
- initial_messagegrp() : sc::MessageGrp
- initialize() : sc::MessageGrp
- initialize_table() : sc::CorrelationTable
- initialized() : sc::ExEnv
- IntCoor() : sc::IntCoor
- IntCoorGen() : sc::IntCoorGen
- Integral() : sc::Integral
- integral() : sc::Wavefunction, sc::TwoBodyInt
- integrate() : sc::RadialAngularIntegrator, sc::DenIntegrator
- IntMolecularCoor() : sc::IntMolecularCoor
- intvalue() : sc::KeyVal
- inverse() : sc::CharacterTable
- inverse_hessian() : sc::CartMolecularCoor, sc::RedundMolecularCoor, sc::SymmMolecularCoor, sc::MolecularCoor
- invert_this() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix
- ip() : sc::AtomInfo
- IrreducibleRepresentation() : sc::IrreducibleRepresentation
- irrep : sc::SOBasis, sc::SOTransformFunction
- is_axis() : sc::Molecule
- is_cartesian() : sc::GaussianShell
- is_linear() : sc::Molecule
- is_linear_planar() : sc::Molecule
- is_planar() : sc::Molecule
- is_plane() : sc::Molecule
- is_pure() : sc::GaussianShell

### - j -

- j() : sc::SCMatrixBlockIter

### - k -

- key_booleanvalue() : sc::KeyVal
- key_charvalue() : sc::KeyVal
- key_count() : sc::KeyVal
- key_describedclassvalue() : sc::KeyVal
- key_doublevalue() : sc::KeyVal
- key_exists() : sc::AggregateKeyVal, sc::StringKeyVal, sc::AssignedKeyVal, sc::KeyVal
- key_floatvalue() : sc::KeyVal
- key_intvalue() : sc::KeyVal
- key_pcharvalue() : sc::KeyVal
- key_restore_state() : sc::SavableState
- key_sizevalue() : sc::KeyVal
- key_stringvalue() : sc::KeyVal
- key_value() : sc::AggregateKeyVal, sc::StringKeyVal, sc::AssignedKeyVal, sc::KeyVal
- kinetic() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- kinetic_deriv() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- kit() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector

### - l -

- l() : sc::SphericalTransform, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- label() : sc::Molecule, sc::IntCoor
- length() : sc::MemoryGrpBuf< data_t >
- lindep_tol() : sc::Wavefunction, sc::OverlapOrthog
- list_all_classes() : sc::ClassDesc
- list_objects() : sc::StateIn
- load_class() : sc::ClassDesc
- local_blocks() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- localdata() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp
- localoffset() : sc::MemoryGrp, sc::FileGrp
- localsize() : sc::MemoryGrp, sc::FileGrp
- lock() : sc::ThreadLock
- lock_ptr() : sc::RefCount
- log2_shell_bound() : sc::TwoBodyDerivIntV3, sc::TwoBodyIntV3, sc::TwoBodyDerivIntCints, sc::TwoBodyIntCints, sc::TwoBodyDerivInt, sc::TwoBodyInt

### - m -

- malloc_local() : sc::MemoryGrp, sc::ARMCIMemoryGrp
- managed() : sc::RefCount
- mass() : sc::AtomInfo
- matrix() : sc::ReplSCMatrixKit, sc::LocalSCMatrixKit, sc::DistSCMatrixKit, sc::SCMatrixKit
- matrixkit() : sc::Function, sc::GaussianBasisSet
- matrixkit_ : sc::Function
- max() : sc::MessageGrp
- max_am() : sc::GaussianShell
- max_am_for_contraction() : sc::GaussianBasisSet
- max_angular_momentum() : sc::GaussianShell, sc::GaussianBasisSet
- max_cartesian() : sc::GaussianShell, sc::GaussianBasisSet
- max_ncartesian_in_shell() : sc::GaussianBasisSet
- max_ncontraction() : sc::GaussianBasisSet
- max_nfunction_in_shell() : sc::SOBasis, sc::GaussianBasisSet
- max_nprimitive_in_shell() : sc::GaussianBasisSet
- max_z() : sc::Molecule
- maxabs() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- maxprob_radius_scale() : sc::AtomInfo
- MBPT2() : sc::MBPT2
- MBPT2_R12() : sc::MBPT2_R12
- me() : sc::MessageGrp, sc::MemoryGrp, sc::FileGrp
- memory() : sc::ExEnv
- MemoryGrpBuf() : sc::MemoryGrpBuf< data_t >
- messagegrp() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector, sc::Integral
- min() : sc::MessageGrp
- min_am() : sc::GaussianShell
- min_angular_momentum() : sc::GaussianShell
- mo_to_orthog_so() : sc::OneBodyWavefunction
- mo_to_so() : sc::OneBodyWavefunction
- MolecularCoor() : sc::MolecularCoor
- MolecularEnergy() : sc::MolecularEnergy
- MolecularFormula() : sc::MolecularFormula
- MolecularFrequencies() : sc::MolecularFrequencies
- Molecule() : sc::Molecule
- molecule() : sc::GaussianBasisSet, sc::MolecularFrequencies, sc::MolecularCoor
- monobound() : sc::GaussianShell
- MPIMessageGrp() : sc::MPIMessageGrp
- mPW91XFunctional() : sc::mPW91XFunctional
- MsgStateBufRecv() : sc::MsgStateBufRecv
- MsgStateRecv() : sc::MsgStateRecv
- MTMPIMemoryGrp() : sc::MTMPIMemoryGrp

### - n -

- n() : sc::MessageGrp, sc::MemoryGrp, sc::FileGrp, sc::CorrelationTable, sc::SCDimension, sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCVector, sc::SphericalTransform, sc::DerivCenters, sc::CartesianIter, sc::SetIntCoor, sc::SumIntCoor
- n_core_electrons() : sc::Molecule
- name() : sc::ClassDesc, sc::SCDimension, sc::GaussianBasisSet, sc::AtomInfo
- name_to_class_desc() : sc::ClassDesc
- nao() : sc::Wavefunction
- naofunction() : sc::SOBasis
- naoshell : sc::SOTransform
- natom() : sc::Molecule
- natoms() : sc::SimpleCo
- natomtypes() : sc::MolecularFormula
- natural_density() : sc::Wavefunction
- natural_orbitals() : sc::Wavefunction
- nbasis() : sc::TwoBodyDerivInt, sc::TwoBodyInt, sc::OneBodyDerivInt, sc::OneBodyInt, sc::GaussianBasisSet
- nbasis_on_center() : sc::GaussianBasisSet
- nblock() : sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::SCBlockInfo
- ncartesian() : sc::GaussianShell
- ncartesian_with_aminc() : sc::GaussianShell
- ncenter() : sc::GaussianBasisSet
- ncol() : sc::SCMatrix
- nconstrained() : sc::IntMolecularCoor, sc::MolecularCoor
- ncontraction() : sc::GaussianShell
- nelectron() : sc::Wavefunction, sc::OneBodyWavefunction, sc::PsiWavefunction, sc::MBPT2
- nelem() : sc::SCBlockInfo
- nequivalent() : sc::Molecule
- new_cartesian_iter() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- new_components() : sc::SphericalTransform
- new_coords() : sc::IntMolecularCoor
- new_lock() : sc::ProcThreadGrp, sc::ThreadGrp, sc::PumaThreadGrp, sc::PthreadThreadGrp
- new_redundant_cartesian_iter() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- new_redundant_cartesian_sub_iter() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- new_spherical_transform_iter() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- next() : sc::SCMatrixSubblockIter, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- next_buffer() : sc::BcastStateInBin, sc::BcastStateRecv, sc::StateRecv, sc::MsgStateBufRecv
- nextobject() : sc::StateIn
- nfreq() : sc::MolecularFrequencies
- nfunc : sc::SOTransformShell
- nfunction() : sc::SOBasis, sc::GaussianShell
- nfunction_in_irrep() : sc::SOBasis
- ngamma() : sc::CorrelationTable
- nirrep() : sc::CharacterTable, sc::SOBasis, sc::MolecularFrequencies
- nmpi_grps : sc::MPIMessageGrp
- node_to_node() : sc::StateOut, sc::StateIn
- nonnull() : sc::Ref< T >
- normal_coordinates() : sc::MolecularFrequencies
- normalize() : sc::SCVector, sc::SumIntCoor
- nprimitive() : sc::GaussianShell, sc::GaussianBasisSet
- nproc() : sc::ExEnv
- nproj() : sc::IrreducibleRepresentation
- nreference() : sc::RefCount
- nrot() : sc::IrreducibleRepresentation
- nrow() : sc::SCMatrix
- nshell() : sc::TwoBodyDerivInt, sc::TwoBodyInt, sc::SOBasis, sc::OneBodyDerivInt, sc::OneBodyInt, sc::GaussianBasisSet
- nshell_on_center() : sc::GaussianBasisSet
- nthread() : sc::ThreadGrp
- ntrans() : sc::IrreducibleRepresentation
- nuclear() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- nuclear_charge() : sc::Molecule
- nuclear_charge_efield() : sc::Molecule
- nuclear_deriv() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- nuclear_efield() : sc::Molecule
- nuclear_repulsion_1der() : sc::Molecule
- nuclear_repulsion_energy() : sc::Molecule
- null() : sc::Ref< T >
- nunique() : sc::Molecule
- nZ() : sc::MolecularFormula

### - o -

- object() : sc::SavableStateProxy
- obsolete() : sc::Compute, sc::Wavefunction, sc::SCF, sc::R12IntEval, sc::MBPT2_R12, sc::MBPT2
- obtain_readonly() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- obtain_readwrite() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- obtain_writeonly() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- occupation() : sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::HSOSSCF, sc::CLSCF
- offset() : sc::MemoryGrp, sc::FileGrp
- omitted_atom() : sc::DerivCenters
- omitted_center() : sc::DerivCenters
- OneBodyWavefunction() : sc::OneBodyWavefunction
- open() : sc::StateInFile, sc::StateOutFile, sc::StateInBin, sc::StateOutBin, sc::FileGrp
- operate() : sc::SymRep, sc::SymmetryOperation, sc::ShellRotation
- operator *() : sc::Ref< T >, sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::RefSCVector
- operator int() : sc::RefSCDimension, sc::SCMatrixBlockIter, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- operator SymmetryOperation() : sc::SymRep
- operator!=() : sc::Identifier
- operator()() : sc::SymRep, sc::SymmetryOperation, sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::RefSCVector, sc::ShellRotation, sc::GaussianBasisSet
- operator+() : sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::RefSCVector
- operator++() : sc::SCMatrixBlockIter
- operator-() : sc::RefSCMatrix, sc::RefSCVector
- operator->() : sc::Ref< T >
- operator<() : sc::Identifier
- operator<<() : sc::Ref< T >
- operator<=() : sc::Identifier
- operator=() : sc::Ref< T >, sc::Identifier, sc::auto_vec< T >, sc::RefDiagSCMatrix, sc::RefSymmSCMatrix, sc::RefSCMatrix, sc::RefSCVector, sc::RefSCDimension, sc::ShellRotation
- operator==() : sc::Ref< T >, sc::Identifier
- operator>() : sc::Identifier
- operator>=() : sc::Identifier
- operator[]() : sc::SymRep, sc::SymmetryOperation, sc::RefSCVector, sc::ShellRotation, sc::GaussianBasisSet, sc::SimpleCo
- Optimize() : sc::Optimize
- optimize() : sc::Optimize
- order() : sc::CharacterTable, sc::IrreducibleRepresentation
- 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
- out0() : sc::ExEnv
- outer_product() : sc::RefSCVector
- outn() : sc::ExEnv
- overlap() : sc::Wavefunction, sc::IntegralV3, sc::IntegralCints, sc::Integral
- overlap_deriv() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- override() : sc::StateIn

### - p -

- p() : sc::IrreducibleRepresentation
- parentpointer() : sc::Ref< T >, sc::RefBase
- parse_string() : sc::ParsedKeyVal
- ParsedKeyVal() : sc::ParsedKeyVal
- pcharvalue() : sc::KeyVal
- permute() : sc::Int2eCints
- petite_list() : sc::Integral
- point_charge() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- point_group() : sc::Molecule
- pointer() : sc::Ref< T >
- PointGroup() : sc::PointGroup
- pop() : sc::SetIntCoor
- preferred_value() : sc::SumIntCoor, sc::IntCoor
- principal_moments_of_inertia() : sc::Molecule
- print() : sc::RegionTimer, sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::MemoryGrp, sc::ARMCIMemoryGrp, sc::ActiveMsgMemoryGrp, sc::FileGrp, sc::DescribedClass, sc::PointGroup, sc::CharacterTable, sc::IrreducibleRepresentation, sc::SymRep, sc::SymmetryOperation, sc::SCDimension, sc::SCBlockInfo, sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector, sc::Function, sc::Wavefunction, sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::SCF, sc::HSOSSCF, sc::HSOSHF, sc::CLSCF, sc::CLHF, sc::PsiWavefunction, sc::PsiExEnv, sc::MP2R12Energy, sc::MBPT2_R12, sc::MBPT2, sc::RadialAngularIntegrator, sc::GaussLegendreAngularIntegrator, sc::LebedevLaikovIntegrator, sc::EulerMaclaurinRadialIntegrator, sc::XalphaFunctional, sc::StdDenFunctional, sc::SumDenFunctional, sc::ShellRotation, sc::GaussianShell, sc::GaussianBasisSet, sc::Molecule, sc::MolecularEnergy, sc::CartMolecularCoor, sc::SymmMolecularCoor, sc::IntMolecularCoor, sc::MolecularCoor, sc::IntCoorGen, sc::IntCoor
- print_brief() : sc::GaussianBasisSet
- print_details() : sc::SimpleCo, sc::SetIntCoor, sc::SumIntCoor
- print_natom_3() : sc::MolecularEnergy
- print_unseen() : sc::ParsedKeyVal, sc::KeyVal
- probet() : sc::MPIMessageGrp, sc::intMessageGrp, sc::ProcMessageGrp, sc::MessageGrp
- process() : sc::SCElementOp
- process_base() : sc::SCElementOp
- process_spec_rect() : sc::SCElementOp
- program_name() : sc::ExEnv
- projected_eigenvectors() : sc::OneBodyWavefunction
- PsiWavefunction() : sc::PsiWavefunction
- pureindex() : sc::SphericalTransform, sc::SphericalTransformComponent
- put() : sc::TranslateDataOut, sc::StateOut, sc::StateOutText, sc::MsgStateSend
- put_array_char() : sc::StateOut, sc::StateOutText
- put_header() : sc::StateOut
- putobject() : sc::StateOut, sc::StateOutText
- putstring() : sc::StateOut, sc::StateOutText

### - q -

- QNewtonOpt() : sc::QNewtonOpt
- quadrupole() : sc::IntegralV3, sc::IntegralCints, sc::Integral

### - r -

- r() : sc::GaussianBasisSet
- randomize() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- raw_collect() : sc::MessageGrp
- read() : sc::ParsedKeyVal
- read_keyval() : sc::IntMolecularCoor
- readonly() : sc::MemoryGrpBuf< data_t >
- readwrite() : sc::MemoryGrpBuf< data_t >
- ready() : sc::SCMatrixSubblockIter
- recv() : sc::MessageGrp
- recvt() : sc::MessageGrp
- reduce() : sc::MPIMessageGrp, sc::MessageGrp
- redundant() : sc::Int2eCints, sc::TwoBodyInt
- RedundantCartesianIter() : sc::RedundantCartesianIter
- RedundantCartesianSubIter() : sc::RedundantCartesianSubIter
- RedundMolecularCoor() : sc::RedundMolecularCoor
- Ref() : sc::Ref< T >
- ref_info() : sc::Ref< T >, sc::RefBase
- RefDiagSCMatrix() : sc::RefDiagSCMatrix
- reference() : sc::RefCount
- RefSCDimension() : sc::RefSCDimension
- RefSCMatrix() : sc::RefSCMatrix
- RefSCVector() : sc::RefSCVector
- RefSymmSCMatrix() : sc::RefSymmSCMatrix
- reftype() : sc::PsiUHF, sc::PsiHSOSHF, sc::PsiCLHF, sc::PsiSCF
- reinitialize() : sc::OneBodyInt
- relative_overlap() : sc::GaussianShell
- release() : sc::auto_vec< T >, sc::MemoryGrpBuf< data_t >
- release_readonly() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- release_readwrite() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- release_writeonly() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- require_nonnull() : sc::RefBase
- reset() : sc::Timer, sc::auto_vec< T >, sc::SCMatrixBlockIter, sc::Convergence
- restore_matrix() : sc::SCMatrixKit
- restore_state() : sc::SavableState
- rgb() : sc::AtomInfo
- rotation() : sc::SymRep, sc::SymmetryOperation
- rowdim() : sc::SCMatrix
- run() : sc::Thread
- run_psi() : sc::PsiExEnv
- run_psi_module() : sc::PsiExEnv

### - s -

- SavableState() : sc::SavableState
- SavableStateProxy() : sc::SavableStateProxy
- save() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- save_data_state() : sc::SavableState, sc::Units, sc::Debugger, sc::PointGroup, sc::SCDimension, sc::SCBlockInfo, sc::SCMatrixDiagSubBlock, sc::SCMatrixDiagBlock, sc::SCMatrixLTriSubBlock, sc::SCMatrixLTriBlock, sc::SCMatrixRectSubBlock, sc::SCMatrixRectBlock, sc::SCVectorSimpleSubBlock, sc::SCVectorSimpleBlock, sc::SCMatrixBlock, sc::PowellUpdate, sc::BFGSUpdate, sc::DFPUpdate, sc::HessianUpdate, sc::SelfConsistentExtrapolation, sc::SCExtrapError, sc::SCExtrapData, sc::QNewtonOpt, sc::LineOpt, sc::Optimize, sc::Function, sc::EFCOpt, sc::DIIS, sc::Convergence, sc::Wavefunction, sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::SCF, sc::HSOSSCF, sc::HSOSHF, sc::CLSCF, sc::CLHF, sc::PsiCCSD_T, sc::PsiCCSD, sc::PsiSCF, sc::PsiWavefunction, sc::R12IntEval_sbs_A, sc::R12IntEvalInfo, sc::R12IntEval_abs_A, sc::R12IntEval, sc::MP2R12Energy, sc::MBPT2_R12, sc::MBPT2, sc::IntegralV3, sc::RadialAngularIntegrator, sc::GaussLegendreAngularIntegrator, sc::LebedevLaikovIntegrator, sc::EulerMaclaurinRadialIntegrator, sc::AngularIntegrator, sc::RadialIntegrator, sc::BeckeIntegrationWeight, sc::IntegrationWeight, sc::DenIntegrator, sc::G96XFunctional, sc::mPW91XFunctional, sc::PW91XFunctional, sc::PBEXFunctional, sc::PW86XFunctional, sc::LYPCFunctional, sc::Becke88XFunctional, sc::XalphaFunctional, sc::PZ81LCFunctional, sc::PW92LCFunctional, sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional, sc::VWN2LCFunctional, sc::VWN1LCFunctional, sc::VWNLCFunctional, sc::SlaterXFunctional, sc::P86CFunctional, sc::PW91CFunctional, sc::PBECFunctional, sc::LSDACFunctional, sc::StdDenFunctional, sc::SumDenFunctional, sc::NElFunctional, sc::DenFunctional, sc::ShellPairsCints, sc::ShellPairCints, sc::IntegralCints, sc::Integral, sc::GaussianShell, sc::GaussianBasisSet, sc::SimpleCo, sc::MolecularFrequencies, sc::Molecule, sc::FinDispMolecularHessian, sc::MolecularEnergy, sc::CartMolecularCoor, sc::RedundMolecularCoor, sc::SymmMolecularCoor, sc::IntMolecularCoor, sc::MolecularCoor, sc::IntCoorGen, sc::SetIntCoor, sc::SumIntCoor, sc::IntCoor, sc::AtomInfo
- save_object_state() : sc::SavableState
- save_state() : sc::SavableState
- save_vbase_state() : sc::SavableState
- scalar_product() : sc::SymmSCMatrix, sc::SCVector, sc::SCExtrapError
- scale() : sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::SCVector
- scale_diagonal() : sc::SymmSCMatrix, sc::SCMatrix
- SCBlockInfo() : sc::SCBlockInfo
- SCDimension() : sc::SCDimension
- SCExtrapData() : sc::SCExtrapData
- SCExtrapError() : sc::SCExtrapError
- SCF() : sc::SCF
- schmidt_orthog() : sc::SCMatrix
- schmidt_orthog_tol() : sc::SCMatrix
- SCMatrixSubblockIter() : sc::SCMatrixSubblockIter
- seek() : sc::StateOut, sc::StateIn, sc::StateInBin, sc::StateOutBin, sc::BcastStateInBin
- seekable() : sc::StateOut, sc::StateIn, sc::StateInBin, sc::StateOutBin, sc::BcastStateInBin
- SelfConsistentExtrapolation() : sc::SelfConsistentExtrapolation
- send() : sc::MessageGrp
- sendt() : sc::MessageGrp
- set() : sc::SCMatrixBlockIter
- set_accuracy() : sc::DenIntegrator
- set_basis() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- set_buffer_size() : sc::BcastState, sc::MsgStateBufRecv, sc::MsgStateSend
- set_checkpoint() : sc::Optimize, sc::FinDispMolecularHessian, sc::MolecularEnergy
- set_cmd() : sc::Debugger
- set_compute_potential_integrals() : sc::DenIntegrator
- set_debug() : sc::DistShellPairR12, sc::DistShellPair
- set_debug_on_signal() : sc::Debugger
- set_default_debugger() : sc::Debugger
- set_default_filegrp() : sc::FileGrp
- set_default_integral() : sc::Integral
- set_default_memorygrp() : sc::MemoryGrp
- set_default_messagegrp() : sc::MessageGrp
- set_desired_value_accuracy() : sc::Function
- set_dim() : sc::SymRep
- set_dynamic() : sc::DistShellPairR12, sc::DistShellPair
- set_element() : sc::SCVector
- set_energy() : sc::MolecularEnergy
- set_exec() : sc::Debugger
- set_exit_on_signal() : sc::Debugger
- set_filename() : sc::FileGrp
- set_function() : sc::Optimize
- set_gradient() : sc::MolecularEnergy
- set_integral_storage() : sc::TwoBodyIntV3, sc::TwoBodyIntCints, sc::TwoBodyInt
- set_localsize() : sc::ShmMemoryGrp, sc::RDMAMemoryGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::MsgMemoryGrp, sc::ARMCIMemoryGrp, sc::ActiveMsgMemoryGrp, sc::ProcFileGrp, sc::FileGrp
- set_matrixkit() : sc::Function
- set_max_iterations() : sc::Optimize
- set_override() : sc::StateIn
- set_permute() : sc::Int2eCints
- set_point_group() : sc::Molecule
- set_prefix() : sc::Debugger
- set_print_percent() : sc::DistShellPairR12, sc::DistShellPair
- set_redundant() : sc::Int2eCints
- set_storage() : sc::Integral
- set_subdim() : sc::SCBlockInfo
- set_symbol() : sc::PointGroup
- set_traceback_on_signal() : sc::Debugger
- set_value() : sc::IntCoor
- set_wait_for_debugger() : sc::Debugger
- set_x() : sc::Function, sc::Volume, sc::MolecularEnergy
- seterror() : sc::KeyVal
- SetIntCoor() : sc::SetIntCoor
- shell() : sc::GaussianBasisSet
- shell_on_center() : sc::GaussianBasisSet
- shell_rotation() : sc::Integral
- shell_to_center() : sc::GaussianBasisSet
- shell_to_function() : sc::GaussianBasisSet
- shell_to_primitive() : sc::GaussianBasisSet
- shell_values() : sc::GaussianBasisSet
- ShellRotation() : sc::ShellRotation
- shift_diagonal() : sc::SymmSCMatrix, sc::SCMatrix
- ShmMessageGrp() : sc::ShmMessageGrp
- sigma_h() : sc::SymRep, sc::SymmetryOperation
- sigma_xz() : sc::SymRep, sc::SymmetryOperation
- sigma_yz() : sc::SymRep, sc::SymmetryOperation
- SimpleCo() : sc::SimpleCo
- size() : sc::MemoryGrp, sc::FileGrp, sc::SCBlockInfo
- sizevalue() : sc::KeyVal
- so_dimension() : sc::Wavefunction
- so_matrixkit() : sc::GaussianBasisSet
- so_to_mo() : sc::OneBodyWavefunction
- so_to_orthog_so() : sc::Wavefunction
- so_to_orthog_so_inverse() : sc::Wavefunction
- SOBasis() : sc::SOBasis
- sofunc : sc::SOTransformFunction
- solve_lin() : sc::RefSymmSCMatrix, sc::RefSCMatrix
- source() : sc::BcastStateRecv, sc::StateRecv
- spherical_transform() : sc::IntegralV3, sc::IntegralCints, sc::Integral
- SphericalTransform() : sc::SphericalTransform
- spin_polarized() : sc::Wavefunction, sc::UnrestrictedSCF, sc::HSOSSCF, sc::CLSCF, sc::PsiCCSD_T, sc::PsiCCSD, sc::PsiUHF, sc::PsiHSOSHF, sc::PsiCLHF, sc::MBPT2
- spin_unrestricted() : sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::SCF
- start() : sc::SCBlockInfo, sc::RedundantCartesianSubIter, sc::RedundantCartesianIter, sc::CartesianIter
- start_threads() : sc::ProcThreadGrp, sc::ThreadGrp, sc::PumaThreadGrp, sc::PthreadThreadGrp
- StateInFile() : sc::StateInFile
- StateOutFile() : sc::StateOutFile
- StateRecv() : sc::StateRecv
- StateSend() : sc::StateSend
- StdDenFunctional() : sc::StdDenFunctional
- storage_required_eri() : sc::IntegralCints, sc::Integral
- storage_required_eri_deriv() : sc::Integral
- storage_required_grt() : sc::IntegralCints, sc::Integral
- storage_unused() : sc::Integral
- storage_used() : sc::Int2eCints, sc::Integral
- string_rep() : sc::Units
- string_to_Z() : sc::AtomInfo
- stringrep() : sc::ParsedKeyVal, sc::StringKeyVal
- stringvalue() : sc::KeyVal
- subdegen() : sc::CorrelationTable
- subdim() : sc::SCBlockInfo
- subgroup() : sc::CorrelationTable
- subn() : sc::CorrelationTable
- sum() : sc::MessageGrp
- SumIntCoor() : sc::SumIntCoor
- svd() : sc::RefSCMatrix
- svd_this() : sc::SCMatrix
- symbol() : sc::PointGroup, sc::CharacterTable, sc::IrreducibleRepresentation, sc::AtomInfo
- symbol_ns() : sc::IrreducibleRepresentation
- symm_frame() : sc::PointGroup
- symm_operation() : sc::CharacterTable
- symmetric_outer_product() : sc::RefSCVector
- symmetrize() : sc::Molecule
- symmetry_changed() : sc::Wavefunction, sc::OneBodyWavefunction, sc::UnrestrictedSCF, sc::SCF, sc::HSOSSCF, sc::CLSCF, sc::MBPT2, sc::MolecularEnergy
- SymmMolecularCoor() : sc::SymmMolecularCoor
- sync() : sc::ShmMessageGrp, sc::MPIMessageGrp, sc::ProcMessageGrp, sc::MessageGrp, sc::ProcMemoryGrp, sc::MemoryGrp, sc::MTMPIMemoryGrp, sc::MsgMemoryGrp, sc::ARMCIMemoryGrp, sc::ProcFileGrp, sc::FileGrp

### - t -

- t() : sc::RefSCMatrix
- target() : sc::StateSend
- tbint_type : sc::TwoBodyInt
- tell() : sc::StateOut, sc::StateIn, sc::StateInBin, sc::StateOutBin, sc::BcastStateInBin
- thermochemistry() : sc::MolecularFrequencies
- threadsafe() : sc::SCElementOp
- Timer() : sc::Timer
- to() : sc::Units
- to_atomic_units() : sc::Units
- to_cartesian() : sc::CartMolecularCoor, sc::IntMolecularCoor, sc::MolecularCoor
- to_external() : sc::TranslateDataByteSwap, sc::TranslateData
- to_internal() : sc::CartMolecularCoor, sc::IntMolecularCoor, sc::MolecularCoor
- to_native() : sc::TranslateDataByteSwap, sc::TranslateData
- totalsize() : sc::MemoryGrp, sc::FileGrp
- trace() : sc::SymRep, sc::SymmetryOperation, sc::DiagSCMatrix, sc::SymmSCMatrix, sc::SCMatrix, sc::ShellRotation
- traceback() : sc::Debugger
- trans() : sc::SOBasis
- transform() : sc::SymRep, sc::SymmetryOperation, sc::ShellRotation
- transform_coordinates() : sc::IdentityTransform, sc::NonlinearTransform
- transform_gradient() : sc::IdentityTransform, sc::NonlinearTransform
- transform_hessian() : sc::IdentityTransform, sc::NonlinearTransform
- transform_ihessian() : sc::IdentityTransform, sc::NonlinearTransform
- TranslateDataIn() : sc::TranslateDataIn
- TranslateDataOut() : sc::TranslateDataOut
- translator() : sc::TranslateDataIn, sc::TranslateDataOut
- transpose_this() : sc::SCMatrix
- truekeyword() : sc::ParsedKeyVal, sc::StringKeyVal

### - u -

- unique() : sc::Molecule
- unit() : sc::SymRep, sc::SymmetryOperation, sc::SymmSCMatrix, sc::SCMatrix
- Units() : sc::Units
- unlock() : sc::ThreadLock
- unlock_ptr() : sc::RefCount
- unmanage() : sc::RefCount
- update() : sc::QNewtonOpt, sc::Optimize, sc::EFCOpt
- update_value() : sc::SimpleCo, sc::SumIntCoor, sc::IntCoor
- update_values() : sc::SetIntCoor
- use_directory() : sc::StateOut, sc::StateIn, sc::StateInBin, sc::StateOutBin, sc::BcastStateInBin
- use_locks() : sc::RefCount
- username() : sc::ExEnv

### - v -

- Va_exists() : sc::KeyVal
- value() : sc::KeyVal, sc::Function, sc::DenIntegrator, sc::IntCoor
- value_ : sc::Function
- value_implemented() : sc::Function, sc::Shape, sc::HSOSHF, sc::CLHF, sc::MBPT2_R12, sc::MBPT2
- value_needed() : sc::Function
- values() : sc::GaussianShell, sc::GaussianBasisSet
- values_to_vector() : sc::SetIntCoor
- vctor() : sc::TranslateData
- vdw_radius() : sc::AtomInfo
- vdw_radius_scale() : sc::AtomInfo
- verbose() : sc::KeyVal
- version() : sc::StateIn, sc::MsgStateRecv, sc::ClassDesc
- VWN1LCFunctional() : sc::VWN1LCFunctional
- VWN2LCFunctional() : sc::VWN2LCFunctional

### - w -

- w() : sc::BeckeIntegrationWeight, sc::IntegrationWeight
- wait_threads() : sc::ProcThreadGrp, sc::ThreadGrp, sc::PumaThreadGrp, sc::PthreadThreadGrp
- warn() : sc::Ref< T >, sc::RefBase
- warn_bad_ref_count() : sc::RefBase
- warn_ref_to_stack() : sc::RefBase
- warn_skip_stack_delete() : sc::RefBase
- Wavefunction() : sc::Wavefunction
- wavefunction() : sc::DenIntegrator
- which_comp() : sc::CharacterTable
- which_irrep() : sc::CharacterTable
- write_basic_input() : sc::PsiUHF, sc::PsiHSOSHF, sc::PsiCLHF, sc::PsiWavefunction
- write_basis() : sc::PsiInput
- write_basis_sets() : sc::PsiInput
- write_input() : sc::PsiCCSD_T, sc::PsiCCSD, sc::PsiUHF, sc::PsiHSOSHF, sc::PsiCLHF, sc::PsiWavefunction
- writeonly() : sc::MemoryGrpBuf< data_t >
- writeonly_on_node() : sc::MemoryGrpBuf< data_t >

### - x -

- x_ : sc::Function

### - z -

- Z() : sc::MolecularFormula
- zero() : sc::SymRep, sc::SymmetryOperation, sc::SCExtrapData

### - ~ -

- ~auto_vec() : sc::auto_vec< T >
- ~Identifier() : sc::Identifier
- ~ParsedKeyVal() : sc::ParsedKeyVal
- ~Ref() : sc::Ref< T >
- ~Timer() : sc::Timer