Namespace sequant::mbpt

the main namespace of the Many-Body Perturbation Theory (MBPT) components of SeQuant

Namespaces

• Namespace sequant::mbpt::@000235336071023116234165043351265162165121355325

• Namespace sequant::mbpt::@120264252266231100337324266251124035204172054036

• Namespace sequant::mbpt::@215342113363315316346375302364102254016176066115

• Namespace sequant::mbpt::@246317342361247252335203262365262201310225031210

• Namespace sequant::mbpt::@261104147262263227231111107317360215320376231010

• Namespace sequant::mbpt::@364306013351161267202201224332223300276052226102

• Namespace sequant::mbpt::@373121222350024113372232244330234354342211374104

• Namespace sequant::mbpt::antisymm

• Namespace sequant::mbpt::bernoulli

• Namespace sequant::mbpt::decompositions

• Namespace sequant::mbpt::detail

• Namespace sequant::mbpt::op

• Namespace sequant::mbpt::op::sequant::mbpt::tensor

Classes

• Struct CC::Options

• Struct ClosedShellCCSpintraceOptions

• Template Struct compare_first_less

• Struct Context::Defaults

• Struct Context::Options

• Struct default_qns_tag

• Template Struct EVOptions

• Struct LSTOptions

• Template Struct mask

• Template Struct mask< BatchingQNS >

• Template Struct mask< Spin >

• Template Struct mask< TensorFactorizationQNS >

• Template Struct EVOptions

• Struct OpMaker::OpInfo

• Struct OpParams

• Struct PAOBasisSpec

• Struct ProjectionOptions

• Class antisymm_element

• Class antisymmetrize

• Class CC

• Class Context

• Template Class Operator

• Template Class Operator< void, S >

• Template Class OpMaker

• Class OpRegistry

• Template Class QuantumNumberChange

Enums

• Enum BatchingQNS

• Enum BiorthogonalizationMethod

• Enum Convention

• Enum CSV

• Enum NormalizationConvention

• Enum OpClass

• Enum ProjectionBasis

• Enum ProjectionDomain

• Enum ProjectionTerms

• Enum Spin

• Enum SpinConvention

• Enum TensorFactorizationQNS

Functions

• Function sequant::mbpt::op::A

• Function sequant::mbpt::A_maps

• Function sequant::mbpt::add_ao_basis(std::shared_ptr<IndexBasisRegistry>&, IndexSpace::QuantumNumbers)

• Function sequant::mbpt::add_ao_basis(std::shared_ptr<IndexBasisRegistry>&, IndexSpace::QuantumNumbers, bool, bool, IndexBasis::instance_type)

• Function sequant::mbpt::add_ao_spaces

• Function sequant::mbpt::add_batching_spaces

• Function sequant::mbpt::add_df_spaces

• Function sequant::mbpt::add_fermi_spin

• Function sequant::mbpt::add_pao_basis

• Function sequant::mbpt::add_pao_spaces

• Function sequant::mbpt::add_thc_spaces

• Function sequant::mbpt::any

• Function sequant::mbpt::append_spin

• Function sequant::mbpt::op::apply_to_vac

• Function sequant::mbpt::biorthogonal_transform(container::svector<ResultExpr>&, double)

• Function sequant::mbpt::biorthogonal_transform(const ExprPtr&, const container::svector<container::svector<sequant::SlottedIndex>>&, double)

• Function sequant::mbpt::biorthogonal_transform(const sequant::ExprPtr&, const container::svector<container::svector<sequant::Index>>&, const double)

• Function sequant::mbpt::biorthogonal_transform(ResultExpr&, double)

• Function sequant::mbpt::biorthogonal_transform_copy(const ResultExpr&, double)

• Function sequant::mbpt::biorthogonal_transform_copy(const container::svector<ResultExpr>&, double)

• Template Function sequant::mbpt::biorthogonal_transform_impl

• Function sequant::mbpt::biorthogonal_transform_pre_nnsproject(ExprPtr&, const container::svector<container::svector<SlottedIndex>>&, bool)

• Function sequant::mbpt::biorthogonal_transform_pre_nnsproject(ExprPtr&, const container::svector<container::svector<Index>>&, bool)

• Template Function sequant::mbpt::biorthogonal_transform_pre_nnsproject_impl

• Function sequant::mbpt::op::can_change_qns

• Function sequant::mbpt::can_expand

• Function sequant::mbpt::cardinal_tensor_labels

• Function sequant::mbpt::catalan

• Function sequant::mbpt::check_for_batching_space

• Function sequant::mbpt::closed_shell_CC_spintrace

• Function sequant::mbpt::closed_shell_CC_spintrace_v1

• Function sequant::mbpt::closed_shell_CC_spintrace_v2

• Function sequant::mbpt::closed_shell_spintrace(const ExprPtr&, const container::svector<container::svector<SlottedIndex>>&, bool)

• Function sequant::mbpt::closed_shell_spintrace(const ExprPtr&, EmptyInitializerList, bool)

• Function sequant::mbpt::closed_shell_spintrace(const ExprPtr&, const container::svector<container::svector<Index>>&, bool)

• Function sequant::mbpt::closed_shell_spintrace(const ResultExpr&, bool)

• Template Function sequant::mbpt::closed_shell_spintrace_impl

• Function sequant::mbpt::combine

• Function sequant::mbpt::compute_biorthogonalizer_matrix

• Template Function sequant::mbpt::op::concat

• Function sequant::mbpt::contains

• Function sequant::mbpt::create_expr_for

• Function sequant::mbpt::csv_transform

• Function sequant::mbpt::csv_transform_impl

• Function sequant::mbpt::decorate_label

• Function sequant::mbpt::deexcitation_type_qns

• Function sequant::mbpt::default_hermiticity

• Function sequant::mbpt::op::default_op_connections

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(r)

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(l)

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(R)

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(L)

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(P)

• Function sequant::mbpt::op::DEFINE_SINGLE_SIGNED_ARGUMENT_OP_VARIANT(A)

• Function sequant::mbpt::DEFINE_STRONG_TYPE_FOR_INTEGER(nₚ, std::int64_t)

• Function sequant::mbpt::DEFINE_STRONG_TYPE_FOR_INTEGER(nₕ, std::int64_t)

• Function sequant::mbpt::density_fit

• Function sequant::mbpt::density_fit_impl

• Template Function sequant::mbpt::equal

• Function sequant::mbpt::excitation_type_qns

• Function sequant::mbpt::expand_A_op(const ProductPtr&)

• Function sequant::mbpt::expand_A_op(const ExprPtr&)

• Function sequant::mbpt::expand_antisymm(const Tensor&, bool)

• Function sequant::mbpt::expand_antisymm(const ExprPtr&, bool)

• Function sequant::mbpt::expand_P_op(const ExprPtr&)

• Function sequant::mbpt::expand_P_op(const ProductPtr&)

• Function sequant::mbpt::op::expectation_value_impl

• Function sequant::mbpt::op::F

• Function sequant::mbpt::general_type_qns

• Function sequant::mbpt::generic_deexcitation_qns

• Function sequant::mbpt::generic_excitation_qns

• Function sequant::mbpt::get_default_mbpt_context

• Function sequant::mbpt::op::H

• Function sequant::mbpt::op::h

• Function sequant::mbpt::hardcoded_biorthogonalizer_matrix

• Function sequant::mbpt::hardcoded_biorthogonalizer_row

• Function sequant::mbpt::op::Hʼ

• Function sequant::mbpt::interval_deexcitation_type_qns

• Function sequant::mbpt::interval_excitation_type_qns

• Function sequant::mbpt::is_amplitude_tensor

• Function sequant::mbpt::is_occupied

• Function sequant::mbpt::is_oovv_integral

• Function sequant::mbpt::is_ovov_integral

• Template Function sequant::mbpt::is_vacuum

• Specialized Template Function sequant::mbpt::is_vacuum< qns_t >

• Function sequant::mbpt::op::l(nann, ncre, const cre<IndexSpace>&, const ann<IndexSpace>&)

• Function sequant::mbpt::op::l(nₚ, nₕ)

• Function sequant::mbpt::op::L(nann, ncre, const cre<IndexSpace>&, const ann<IndexSpace>&)

• Function sequant::mbpt::op::L(nₚ, nₕ)

• Function sequant::mbpt::load

• Function sequant::mbpt::op::lower_to_tensor_form(ExprPtr&)

• Function sequant::mbpt::op::lower_to_tensor_form(const ExprPtr&)

• Function sequant::mbpt::op::lowers_rank_or_lower_to_vacuum

• Function sequant::mbpt::op::lowers_rank_to_vacuum

• Function sequant::mbpt::lst

• Function sequant::mbpt::make_F12_sr_spaces

• Function sequant::mbpt::make_fermi_and_bose_spaces

• Function sequant::mbpt::make_hardcoded_biorthogonalizer_matrix

• Function sequant::mbpt::make_legacy_registry

• Function sequant::mbpt::make_legacy_spaces

• Function sequant::mbpt::make_min_mr_spaces

• Function sequant::mbpt::make_min_sr_spaces

• Function sequant::mbpt::make_minimal_registry

• Function sequant::mbpt::make_mr_spaces

• Function sequant::mbpt::make_space

• Function sequant::mbpt::make_spinalpha

• Function sequant::mbpt::make_spinbeta

• Function sequant::mbpt::make_spinfree

• Function sequant::mbpt::make_sr_spaces

• Function sequant::mbpt::merge_tensors

• Function sequant::mbpt::ms_conserving_columns

• Function sequant::mbpt::ms_uniform_tensor

• Function sequant::mbpt::op_hermiticity

• Function sequant::mbpt::open_shell_A_op

• Function sequant::mbpt::open_shell_CC_spintrace

• Function sequant::mbpt::open_shell_P_op_vector

• Function sequant::mbpt::open_shell_spintrace(const ExprPtr&, const container::svector<container::svector<SlottedIndex>>&, const std::optional<std::size_t>&)

• Function sequant::mbpt::open_shell_spintrace(const ExprPtr&, EmptyInitializerList, const std::optional<std::size_t>&)

• Function sequant::mbpt::open_shell_spintrace(const ExprPtr&, const container::svector<container::svector<Index>>&, const std::optional<std::size_t>&)

• Template Function sequant::mbpt::open_shell_spintrace_impl

• Template Function sequant::mbpt::operator!=(const QuantumNumberChange<Tag, QNV>&, const QuantumNumberChange<Tag, QNV>&)

• Template Function sequant::mbpt::operator!=(const QuantumNumberChange<Tag, QNV>&, I)

• Function sequant::mbpt::operator!=(Context const&, Context const&)

• Function sequant::mbpt::operator&(Spin, Spin)

• Function sequant::mbpt::operator&(ProjectionTerms, ProjectionTerms)

• Template Function sequant::mbpt::operator==(const QuantumNumberChange<Tag, QNV>&, const QuantumNumberChange<Tag, QNV>&)

• Template Function sequant::mbpt::operator==(const QuantumNumberChange<Tag, QNV>&, I)

• Function sequant::mbpt::operator==(Context const&, Context const&)

• Function sequant::mbpt::operator|(Spin, Spin)

• Function sequant::mbpt::operator|(ProjectionTerms, ProjectionTerms)

• Function sequant::mbpt::operator~

• Function sequant::mbpt::op::P

• Function sequant::mbpt::P_maps

• Function sequant::mbpt::permutational_overlap_matrix

• Function sequant::mbpt::project_integral_domains

• Function sequant::mbpt::op::r(nann, ncre, const cre<IndexSpace>&, const ann<IndexSpace>&)

• Function sequant::mbpt::op::r(nₚ, nₕ)

• Function sequant::mbpt::op::R(nann, ncre, const cre<IndexSpace>&, const ann<IndexSpace>&)

• Function sequant::mbpt::op::R(nₚ, nₕ)

• Function sequant::mbpt::op::raises_vacuum_to_rank

• Function sequant::mbpt::op::raises_vacuum_up_to_rank

• Function sequant::mbpt::rank_transformation_perms

• Function sequant::mbpt::op::ref_av

• Function sequant::mbpt::remove_spin

• Function sequant::mbpt::reset_default_mbpt_context

• Function sequant::mbpt::resultexpr_spintrace_delegate

• Function sequant::mbpt::op::S

• Function sequant::mbpt::S_maps

• Function sequant::mbpt::S_replacement_maps

• Function sequant::mbpt::screen_vac_av

• Function sequant::mbpt::set_default_mbpt_context(const Context&)

• Function sequant::mbpt::set_default_mbpt_context(const Context::Options&)

• Function sequant::mbpt::set_scoped_default_mbpt_context(const Context&)

• Function sequant::mbpt::set_scoped_default_mbpt_context(const Context::Options&)

• Function sequant::mbpt::sort_pairings

• Template Function sequant::mbpt::spinannotation_add

• Function sequant::mbpt::spinannotation_remove(const QuantumNumbersAttr&)

• Template Function sequant::mbpt::spinannotation_remove(WS&&)

• Template Function sequant::mbpt::spinannotation_replacе

• Function sequant::mbpt::spintrace(const ResultExpr&, bool)

• Function sequant::mbpt::spintrace(const ExprPtr&, const container::svector<container::svector<SlottedIndex>>&, bool)

• Function sequant::mbpt::spintrace(const ExprPtr&, EmptyInitializerList, bool)

• Function sequant::mbpt::spintrace(const ExprPtr&, const container::svector<container::svector<Index>>&, bool)

• Template Function sequant::mbpt::spintrace_impl

• Function sequant::mbpt::swap_bra_ket

• Function sequant::mbpt::swap_spin(const Tensor&)

• Function sequant::mbpt::swap_spin(const ExprPtr&)

• Function sequant::mbpt::symmetrize_expr(const ProductPtr&)

• Function sequant::mbpt::symmetrize_expr(const ExprPtr&)

• Function sequant::mbpt::op::t

• Function sequant::mbpt::op::T

• Function sequant::mbpt::tensor_hypercontract

• Function sequant::mbpt::tensor_hypercontract_impl

• Function sequant::mbpt::to_op_class

• Function sequant::mbpt::to_spin

• Function sequant::mbpt::op::tʼ

• Function sequant::mbpt::op::Tʼ

• Function sequant::mbpt::op::vac_av

• Function sequant::mbpt::WK_biorthogonalization_filter(ExprPtr, const container::svector<container::svector<SlottedIndex>>&)

• Function sequant::mbpt::WK_biorthogonalization_filter(ExprPtr, const container::svector<container::svector<Index>>&)

• Template Function sequant::mbpt::WK_biorthogonalization_filter_impl

• Function sequant::mbpt::op::ã

• Function sequant::mbpt::op::θ

• Function sequant::mbpt::op::λ

• Function sequant::mbpt::op::Λ

• Function sequant::mbpt::op::λʼ

• Function sequant::mbpt::op::Λʼ

Typedefs

• Typedef sequant::mbpt::BasisGrant

• Typedef sequant::mbpt::BOperator

• Typedef sequant::mbpt::BOperatorBase

• Typedef sequant::mbpt::FOperator

• Typedef sequant::mbpt::FOperatorBase

• Typedef sequant::mbpt::IndexPair

• Typedef sequant::mbpt::mask_t

• Typedef sequant::mbpt::op_t

• Typedef sequant::mbpt::op::OpConnections

• Typedef sequant::mbpt::ParticlePairings

• Typedef sequant::mbpt::qnc_t

• Typedef sequant::mbpt::qninterval_t

• Typedef sequant::mbpt::qns_t

Variables

• Variable sequant::mbpt::default_ao_basis_instance

• Variable sequant::mbpt::default_biorthogonalizer_pseudoinverse_threshold

• Variable sequant::mbpt::default_pao_basis_instance

• Variable sequant::mbpt::mask_v