mpqc::math::PetiteList Class Reference

Documentation

A helper class for symmetric tensor algebra.

PetiteList implements auxiliary representation theory algebra needed to evaluate efficiently expressions involving tensors with symmetries (permutation and otherwise). The concept was introduced by Michel Dupuis and Harry King (DOI 10.1002/qua.560110408).

Note

only permutation groups are supported right now

Public Types
enum	Symmetry {   Symmetry::e, Symmetry::aa, Symmetry::a_bb, Symmetry::aa_bb,   Symmetry::ab_ab, Symmetry::aa_aa }
	permutation groups implemented by SymmPetiteList More...

Public Member Functions
	PetiteList ()=default
virtual	~PetiteList ()
virtual bool	is_canonical (long idx0) const =0
virtual bool	is_canonical (long idx0, long idx1) const =0
virtual bool	is_canonical (long idx0, long idx1, long idx2) const =0
virtual bool	is_canonical (long idx0, long idx1, long idx2, long idx3) const =0
virtual int64_t	multiplicity (long idx0) const =0
virtual int64_t	multiplicity (long idx0, long idx1) const =0
virtual int64_t	multiplicity (long idx0, long idx1, long idx2) const =0
virtual int64_t	multiplicity (long idx0, long idx1, long idx2, long idx3) const =0

Static Public Member Functions
static std::shared_ptr< const PetiteList >	make_trivial ()
static std::shared_ptr< const PetiteList >	make (Symmetry symmetry)

Static Public Attributes
static std::map< Symmetry, std::string >	symmetry_to_string

Member Enumeration Documentation

Symmetry

enum mpqc::math::PetiteList::Symmetry

strong

permutation groups implemented by SymmPetiteList

Enumerator
e	identity (E)
aa	generated by {0<->1}
a_bb	generated by {1<->2}
aa_bb	generated by {0<->1}, {2<->3}
ab_ab	generated by {0<->2,1<->3}
aa_aa	generated by {0<->1}, {2<->3}, {0<->2,1<->3}

Constructor & Destructor Documentation

PetiteList()

mpqc::math::PetiteList::PetiteList ( )

default

~PetiteList()

virtual mpqc::math::PetiteList::~PetiteList ( )

inlinevirtual

Member Function Documentation

is_canonical() [1/4]

virtual bool mpqc::math::PetiteList::is_canonical ( long  idx0 ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

is_canonical() [2/4]

virtual bool mpqc::math::PetiteList::is_canonical ( long  idx0, long  idx1  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

is_canonical() [3/4]

virtual bool mpqc::math::PetiteList::is_canonical ( long  idx0, long  idx1, long  idx2  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

is_canonical() [4/4]

virtual bool mpqc::math::PetiteList::is_canonical ( long  idx0, long  idx1, long  idx2, long  idx3  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

make()

std::shared_ptr< const PetiteList > mpqc::math::PetiteList::make ( Symmetry  symmetry )

static

make_trivial()

std::shared_ptr< const PetiteList > mpqc::math::PetiteList::make_trivial ( )

static

multiplicity() [1/4]

virtual int64_t mpqc::math::PetiteList::multiplicity ( long  idx0 ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

multiplicity() [2/4]

virtual int64_t mpqc::math::PetiteList::multiplicity ( long  idx0, long  idx1  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

multiplicity() [3/4]

virtual int64_t mpqc::math::PetiteList::multiplicity ( long  idx0, long  idx1, long  idx2  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

multiplicity() [4/4]

virtual int64_t mpqc::math::PetiteList::multiplicity ( long  idx0, long  idx1, long  idx2, long  idx3  ) const

pure virtual

Implemented in mpqc::math::SymmPetiteList< TC >.

Member Data Documentation

symmetry_to_string

std::map< PetiteList::Symmetry, std::string > mpqc::math::PetiteList::symmetry_to_string

static

Initial value:

= {
    {PetiteList::Symmetry::e,           "e"},
    {PetiteList::Symmetry::aa,         "aa"},
    {PetiteList::Symmetry::a_bb,     "a_bb"},
    {PetiteList::Symmetry::aa_aa,   "aa_aa"},
    {PetiteList::Symmetry::aa_bb,   "aa_bb"},
    {PetiteList::Symmetry::ab_ab,   "ab_ab"}
}

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The documentation for this class was generated from the following files:

• mpqc/math/groups/petite_list.h
• mpqc/math/groups/petite_list.cpp