Deprecated List¶

page Deprecated List

Member sequant::binarize (ExprPtr const &expr, IndexSet const &external={}, const BinarizationOptions &opts={}): The root EvalExpr’s tensor has a positional bra/ket split: each surviving external ends up in whichever bra/ket slot it occupied in its source factor (see eval_expr.cpp ~ “target_indices” lambda). For terms equivalent under bra<->ket-swap, this can yield a head with an unconventional bra/ket layout (e.g., 3:1 for a CCSD T2 residual) that breaks downstream code reading the result tensor by slot position. Prefer the ResultExpr overload, which lets the caller declare the head’s bra/ket layout explicitly via the LHS and is space/convention-agnostic in the IR.

Member sequant::Context::index_space_registry () const: use index_basis_registry()

Member sequant::Context::Options::index_space_registry: use index_basis_registry; giving this a value is diagnosed as deprecated, and its value is read through .value (see SEQUANT_DEPRECATED_MEMBER)

Member sequant::Context::Options::index_space_registry_shared_ptr: use index_basis_registry_shared_ptr; giving this a value is diagnosed as deprecated, and its value is read through .value (see SEQUANT_DEPRECATED_MEMBER)

Member sequant::DensePeakSize: Old spelling of DenseSpaceTime, sharing its value so that code and JSON inputs spelling it (“dense_peak_size”) keep working: a == DensePeakSize guard catches DenseSpaceTime.

Member sequant::DensePeakSizeBatched: Old spelling of DenseSpaceTimeBatched.

Member sequant::DenseSize: Use DenseTimeSpace. Result-tensor storage elements summed over intermediates – a gross-traffic proxy, not a peak.

Member sequant::DenseSpaceTime: Use DenseTimeSpace. Peak-first, perf-second; can prefer a flops-catastrophic factorization for a lower peak.

Member sequant::DenseSpaceTimeBatched: Use DenseTimeSpaceBatched. Batched variant of DenseSpaceTime.

Member sequant::get_default_index_space_registry (Statistics s=Statistics::Arbitrary): use get_default_index_basis_registry()

Member sequant::IndexBasisRegistry::approximate_size (S &&label, std::size_t n): use extent(label, n)

Member sequant::IndexSpace::approximate_size (std::size_t n): use dimension(n)

Member sequant::mbpt::add_ao_basis (std::shared_ptr< IndexBasisRegistry > &ibr, IndexSpace::QuantumNumbers spin_any, bool vbs, bool abs, IndexBasis::instance_type instance): the VBS and ABS AO bases are the layout of the program’s basis registry, which registers them itself; this registers MPQC’s layout from the labels of SeQuant’s single-reference conventions: the OBS AO basis μ spans p, or m with vbs; with vbs the VBS AO basis Α spans e and Γ = μ + Α spans their union; with abs the ABS AO basis σ spans α', ρ = μ + σ spans the union of the OBS and α', and with vbs also Ρ = Γ + σ spans the union of all three. Every space a basis spans must be registered. An integer third argument still selects this overload (add_ao_basis(ibr, spin_any, 1) is vbs); an instance cannot be given to add_ao_basis(ibr, spin_any).

Member sequant::mbpt::add_ao_spaces (std::shared_ptr< IndexBasisRegistry > &ibr, IndexSpace::QuantumNumbers spin_any, bool vbs, bool abs): the AO bases are named instances of the orbital spaces, see add_ao_basis(), to which this forwards; unlike the AO spaces this used to register, the bases need every space they span registered

Member sequant::mbpt::add_pao_spaces (std::shared_ptr< IndexBasisRegistry > &ibr, IndexSpace::QuantumNumbers spin_any): the PAO basis is a named instance of the particle space, see add_pao_basis(), to which this forwards; like it, this registers the OBS AO basis μ if ibr has none, which add_ao_spaces() cannot then register, so call that one first

Member sequant::optimize (ExprPtr const &expr, bool reorder_sum): Use the OptimizeOptions overload instead.