Documentation

A block-"sparse" nullable string represents occupancies of an arbitrarily-large set of states as a set of alternating unoccupied/occupied blocks. The null string is distinct from a string in space of 0 states.

Classes
struct	Block
	represents a continuous block of states of same occupancy More...

Public Types
using	state_index_type = orbital_index_type

typedef std::set< Block >	Blocks

using	vectorofbool_t = boost::container::small_vector< bool, 128 >

Public Member Functions
	FermionOccupationBlockString ()=default
	constructs a null string More...

	FermionOccupationBlockString (const FermionOccupationBlockString &other)

	FermionOccupationBlockString (FermionOccupationBlockString &&)=default
	move ctor More...

FermionOccupationBlockString &	operator= (const FermionOccupationBlockString &other)

FermionOccupationBlockString &	operator= (FermionOccupationBlockString &&)=default
	move assignment More...

	~FermionOccupationBlockString ()=default

	FermionOccupationBlockString (size_t Ns, bool default_to_occupied=false)

	FermionOccupationBlockString (size_t Ns, unsigned long ulong_bitset)

template<typename IntegralRange , typename = std::enable_if_t< TiledArray::detail::is_integral_range_v<IntegralRange>>>
	FermionOccupationBlockString (size_t Ns, IntegralRange &&occupied_states)

template<typename Integer , typename = std::enable_if_t<std::is_integral_v<Integer>>>
	FermionOccupationBlockString (size_t Ns, const std::initializer_list< Integer > &occupied_states)

	FermionOccupationBlockString (size_t Ns, Blocks &blocks)

	operator bool () const

bool	empty () const

void	reset ()

size_t	size () const

size_t	count () const

bool	operator[] (size_t i) const

auto	occupied_states () const

auto	unoccupied_states () const

const PopulatedSparseOrbitalRange &	populated_states () const

FermionOccupationBlockString &	remove (size_t from)

FermionOccupationBlockString &	add (size_t to)

size_t	count (std::int64_t pos1, size_t pos2) const

boost::dynamic_bitset	to_bitset () const

vectorofbool_t	to_vectorofbool () const

unsigned long	to_ulong () const

FermionOccupationBlockString	operator^ (const FermionOccupationBlockString &other) const

size_t	hash_value () const

bool	operator== (const FermionOccupationBlockString &other) const

bool	operator!= (const FermionOccupationBlockString &other) const

FermionOccupationBlockString &	append (const FermionOccupationBlockString &other)

Member Typedef Documentation

◆ Blocks

typedef std::set<Block> mpqc::FermionOccupationBlockString::Blocks

◆ state_index_type

using mpqc::FermionOccupationBlockString::state_index_type = orbital_index_type

◆ vectorofbool_t

using mpqc::FermionOccupationBlockString::vectorofbool_t = boost::container::small_vector<bool, 128>

Constructor & Destructor Documentation

◆ FermionOccupationBlockString() [1/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString ( )

default

constructs a null string

◆ FermionOccupationBlockString() [2/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString ( const FermionOccupationBlockString & other )

inline

copy ctor

Note: does not copy memoized part of state

◆ FermionOccupationBlockString() [3/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString ( FermionOccupationBlockString && )

default

move ctor

◆ ~FermionOccupationBlockString()

mpqc::FermionOccupationBlockString::~FermionOccupationBlockString ( )

default

◆ FermionOccupationBlockString() [4/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString	(	size_t	Ns,
		bool	default_to_occupied = `false`
	)

inlineexplicit

Constructs a set of Ns states

Parameters

	Ns	number of states
[in]	default_to_occupied	if true, will make all states occupied

◆ FermionOccupationBlockString() [5/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString	(	size_t	Ns,
		unsigned long	ulong_bitset
	)

inlineexplicit

Constructs a string of N states using bits encoded by an unsigned long

Parameters

[in]	Ns	number of states represented by this string, asserted to be less than or equal to `Ns`
[in]	ulong_bitset	an unsigned long encoding the string

◆ FermionOccupationBlockString() [6/8]

template<typename IntegralRange , typename = std::enable_if_t< TiledArray::detail::is_integral_range_v<IntegralRange>>>

mpqc::FermionOccupationBlockString::FermionOccupationBlockString	(	size_t	Ns,
		IntegralRange &&	occupied_states
	)

inline

Constructs FermionOccupationBlockString using a (possibly-empty) set of indices of occupied states

Template Parameters

IntegralRange a range of integers

Parameters

[in]	Ns	number of states represented by this string
	occupied_states	the sequence of occupied states

◆ FermionOccupationBlockString() [7/8]

template<typename Integer , typename = std::enable_if_t<std::is_integral_v<Integer>>>

mpqc::FermionOccupationBlockString::FermionOccupationBlockString	(	size_t	Ns,
		const std::initializer_list< Integer > &	occupied_states
	)

inline

Constructs FermionOccupationBlockString using a (possibly-empty) set of indices of occupied states

Template Parameters

Integer an integral type

Parameters

[in]	Ns	number of states represented by this string
	occupied_states	the sequence of occupied states

◆ FermionOccupationBlockString() [8/8]

mpqc::FermionOccupationBlockString::FermionOccupationBlockString	(	size_t	Ns,
		Blocks &	blocks
	)

inlineexplicit

Constructs FermionOccupationBlockString using a (possibly-empty) set of indices of occupied states

Parameters

occupied_states

Member Function Documentation

◆ add()

FermionOccupationBlockString& mpqc::FermionOccupationBlockString::add ( size_t to )

inline

Adds a particle to state to_.

Parameters

to	the state to_which the particle will be added.

Returns: reference to this string, for chaining operations (e.g. a.remove(0).remove(7).add(13) etc.)

Note: if this object is null, this is noop

◆ append()

FermionOccupationBlockString& mpqc::FermionOccupationBlockString::append ( const FermionOccupationBlockString & other )

inline

appends other to the end of this

Parameters

other the string to be appended

Returns: *this

Note: asserts that this and other other is nonnull

◆ count() [1/2]

size_t mpqc::FermionOccupationBlockString::count ( ) const

inline

Reports the number of occupied states

Returns: the number of occupied states

Note: asserts that this is nonnull

◆ count() [2/2]

size_t mpqc::FermionOccupationBlockString::count	(	std::int64_t	pos1,
		size_t	pos2
	)		const

inline

counts the number of bits in (pos1,pos2) (assumes pos2 >= pos1)

Parameters

pos1	integer in [-1,Ns), set to -1 to count bits in [0,pos2)
pos2	integer in [0,Ns)

Returns: the number of bits in (pos1,pos2)

Note: asserts that this is nonnull

◆ empty()

bool mpqc::FermionOccupationBlockString::empty ( ) const

inline

are all states empty?

Returns: true if all states are empty

Note: asserts that this is nonnull

◆ hash_value()

size_t mpqc::FermionOccupationBlockString::hash_value ( ) const

inline

◆ occupied_states()

auto mpqc::FermionOccupationBlockString::occupied_states ( ) const

inline

Reports the states that are occupied in this string

Returns: a range with the indices of all occupied states (in increasing order)

Note: asserts that this is nonnull

◆ operator bool()

mpqc::FermionOccupationBlockString::operator bool ( ) const

inlineexplicit

◆ operator!=()

bool mpqc::FermionOccupationBlockString::operator!= ( const FermionOccupationBlockString & other ) const

inline

Parameters

[in] other another string

Returns: true if (*this)==other is false

◆ operator=() [1/2]

FermionOccupationBlockString& mpqc::FermionOccupationBlockString::operator= ( const FermionOccupationBlockString & other )

inline

copy assignment

Note: does not copy memoized part of state

◆ operator=() [2/2]

FermionOccupationBlockString& mpqc::FermionOccupationBlockString::operator= ( FermionOccupationBlockString && )

default

move assignment

◆ operator==()

bool mpqc::FermionOccupationBlockString::operator== ( const FermionOccupationBlockString & other ) const

inline

Parameters

[in] other another string

Returns: true if both are null or are equal

◆ operator[]()

bool mpqc::FermionOccupationBlockString::operator[] ( size_t i ) const

inline

Returns the occupancy of state i

Parameters

i the state

Returns: true is the state is occupied

Note: asserts that this is nonnull

◆ operator^()

FermionOccupationBlockString mpqc::FermionOccupationBlockString::operator^ ( const FermionOccupationBlockString & other ) const

inline

XORs two strings

Parameters

[in] other another string with which this will be XORed

Note: asserts that this and other other is nonnull

◆ populated_states()

const PopulatedSparseOrbitalRange& mpqc::FermionOccupationBlockString::populated_states ( ) const

inline

Reports the states in the order of their occupancy (occupied first, unoccupied second)

Returns: a const reference to (memoized) PopulatedSparseOrbitalRange object, with occupied orbitals preceding occupied orbitals

Note: asserts that this is nonnull

◆ remove()

FermionOccupationBlockString& mpqc::FermionOccupationBlockString::remove ( size_t from )

inline

Removes a particle from_ state from_.

Parameters

from_ the state from_ which the particle will be removed.

Returns: reference to this string, for chaining operations (e.g. a.remove(0).remove(7).add(13) etc.)

Note: if this object is null, this is noop

◆ reset()

void mpqc::FermionOccupationBlockString::reset ( )

inline

empties all states

◆ size()

size_t mpqc::FermionOccupationBlockString::size ( ) const

inline

Reports the total number of states

Returns: the total number states

Note: asserts that this is nonnull

◆ to_bitset()

boost::dynamic_bitset mpqc::FermionOccupationBlockString::to_bitset ( ) const

inline

converts to bitset

Returns: return bitset

Note: asserts that this is nonnull

◆ to_ulong()

unsigned long mpqc::FermionOccupationBlockString::to_ulong ( ) const

inline

converts to unsigned long

Returns: unsigned long representation of this string

Note: asserts that this is nonnull

◆ to_vectorofbool()

vectorofbool_t mpqc::FermionOccupationBlockString::to_vectorofbool ( ) const

inline

converts to the vector-of-bool representation of this string

Returns: vector-of-bool representation of this string

Note: asserts that this is nonnull

◆ unoccupied_states()

auto mpqc::FermionOccupationBlockString::unoccupied_states ( ) const

inline

Reports the states that are unoccupied in this string

Returns: a range with the indices of all unoccupied states (in increasing order)

Note: asserts that this is nonnull

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

mpqc/math/fock/string.h

Documentation

Classes

Public Types

Public Member Functions

Member Typedef Documentation

◆ Blocks

◆ state_index_type

◆ vectorofbool_t

Constructor & Destructor Documentation

◆ FermionOccupationBlockString() [1/8]

◆ FermionOccupationBlockString() [2/8]

◆ FermionOccupationBlockString() [3/8]

◆ ~FermionOccupationBlockString()

◆ FermionOccupationBlockString() [4/8]

◆ FermionOccupationBlockString() [5/8]

◆ FermionOccupationBlockString() [6/8]

◆ FermionOccupationBlockString() [7/8]

◆ FermionOccupationBlockString() [8/8]

Member Function Documentation

◆ add()

◆ append()

◆ count() [1/2]

◆ count() [2/2]

◆ empty()

◆ hash_value()

◆ occupied_states()

◆ operator bool()

◆ operator!=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ operator[]()

◆ operator^()

◆ populated_states()

◆ remove()

◆ reset()

◆ size()

◆ to_bitset()

◆ to_ulong()

◆ to_vectorofbool()

◆ unoccupied_states()