Collaboration diagram for mpqc::FermionOccupationDBitString:

Documentation

A "dense" nullable string represents occupancies of a set of Ns states by a bitstring. The null string is distinct from a string in space of 0 states.

Template Parameters

Ns	the number of states

Public Types
using	parent_type = boost::dynamic_bitset<>

using	base_type = parent_type

using	state_index_type = orbital_index_type

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

Public Member Functions
	FermionOccupationDBitString ()
	constructs an invalid (null) string More...

	FermionOccupationDBitString (const FermionOccupationDBitString &other)

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

FermionOccupationDBitString &	operator= (const FermionOccupationDBitString &other)

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

	~FermionOccupationDBitString ()=default

	FermionOccupationDBitString (size_t N, bool default_to_occupied=false)

	FermionOccupationDBitString (size_t N, unsigned long ulong_bitset)

	FermionOccupationDBitString (boost::dynamic_bitset<> &&bs, bool includes_extra_bit=false)

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

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

size_t	size () const

	operator bool () const

bool	empty () const

void	reset ()

FermionOccupationDBitString	clone () const

FermionOccupationDBitString &	flip ()

size_t	count () const

auto	occupied_states () const

auto	unoccupied_states () const

const PopulatedSparseOrbitalRange &	populated_states () const

FermionOccupationDBitString &	remove (size_t from)

FermionOccupationDBitString &	add (size_t to)

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

std::int64_t	find_first_occupied () const

std::int64_t	find_next_occupied (std::int64_t pos) const

size_t	hash_value () const

boost::dynamic_bitset	to_bitset () const

vectorofbool_t	to_vectorofbool () const

unsigned long	to_ulong () const

bool	operator== (const FermionOccupationDBitString &other) const

bool	operator!= (const FermionOccupationDBitString &other) const

FermionOccupationDBitString	operator^ (const FermionOccupationDBitString &other) const

FermionOccupationDBitString	operator& (const FermionOccupationDBitString &other) const

FermionOccupationDBitString	operator\| (const FermionOccupationDBitString &other) const

Member Typedef Documentation

◆ base_type

using mpqc::FermionOccupationDBitString::base_type = parent_type

◆ parent_type

using mpqc::FermionOccupationDBitString::parent_type = boost::dynamic_bitset<>

◆ state_index_type

using mpqc::FermionOccupationDBitString::state_index_type = orbital_index_type

◆ vectorofbool_t

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

Constructor & Destructor Documentation

◆ FermionOccupationDBitString() [1/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString ( )

inline

constructs an invalid (null) string

◆ FermionOccupationDBitString() [2/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString ( const FermionOccupationDBitString & other )

inline

copy ctor

Note: does not copy memoized part of state

◆ FermionOccupationDBitString() [3/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString ( FermionOccupationDBitString && )

default

move ctor

◆ ~FermionOccupationDBitString()

mpqc::FermionOccupationDBitString::~FermionOccupationDBitString ( )

default

◆ FermionOccupationDBitString() [4/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString	(	size_t	N,
		bool	default_to_occupied = `false`
	)

inlineexplicit

Constructs a set of N states

Parameters

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

◆ FermionOccupationDBitString() [5/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString	(	size_t	N,
		unsigned long	ulong_bitset
	)

inlineexplicit

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

Parameters

[in]	N	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

◆ FermionOccupationDBitString() [6/8]

mpqc::FermionOccupationDBitString::FermionOccupationDBitString	(	boost::dynamic_bitset<> &&	bs,
		bool	includes_extra_bit = `false`
	)

inlineexplicit

Constructs a set of states specified by a bitset

Parameters

bs	a bitset specifying the occupancies of the states (set bit indicates occupied states)

◆ FermionOccupationDBitString() [7/8]

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

mpqc::FermionOccupationDBitString::FermionOccupationDBitString	(	size_t	N,
		IntegralRange &&	occupied_states
	)

inline

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

Template Parameters

IntegralRange a range of integers

Parameters

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

◆ FermionOccupationDBitString() [8/8]

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

mpqc::FermionOccupationDBitString::FermionOccupationDBitString	(	size_t	N,
		const std::initializer_list< Integer > &	occupied_states
	)

inline

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

Template Parameters

Integer an integral type

Parameters

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

Member Function Documentation

◆ add()

FermionOccupationDBitString& mpqc::FermionOccupationDBitString::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

◆ clone()

FermionOccupationDBitString mpqc::FermionOccupationDBitString::clone ( ) const

inline

Returns: clone of *this s

◆ count() [1/2]

size_t mpqc::FermionOccupationDBitString::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::FermionOccupationDBitString::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::FermionOccupationDBitString::empty ( ) const

inline

are all states empty?

Returns: true if all states are empty

Note: asserts that this is nonnull

◆ find_first_occupied()

std::int64_t mpqc::FermionOccupationDBitString::find_first_occupied ( ) const

inline

Returns: the lowest index i such as state i is occupied, or -1 if *this has no occupied states.

◆ find_next_occupied()

std::int64_t mpqc::FermionOccupationDBitString::find_next_occupied ( std::int64_t pos ) const

inline

Returns: the lowest index i greater than pos such as state i is occupied, or -1 if no such occupied states exist.

◆ flip()

FermionOccupationDBitString& mpqc::FermionOccupationDBitString::flip ( )

inline

flips the occupancies of all states

Returns: reference to *this

Note: asserts that this is nonnull

◆ hash_value()

size_t mpqc::FermionOccupationDBitString::hash_value ( ) const

inline

Warning: for 64 or fewer states this is optimized to return this->to_ulong()

◆ occupied_states()

auto mpqc::FermionOccupationDBitString::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::FermionOccupationDBitString::operator bool ( ) const

inlineexplicit

Returns: true of string is not in a null state

◆ operator!=()

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

inline

Parameters

[in] other another string

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

◆ operator&()

FermionOccupationDBitString mpqc::FermionOccupationDBitString::operator& ( const FermionOccupationDBitString & other ) const

inline

Parameters

other another string

Returns: AND of *this with other

Precondition: this->size() == other.size()

◆ operator=() [1/2]

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

inline

copy assignment

Note: does not copy memoized part of state

◆ operator=() [2/2]

FermionOccupationDBitString& mpqc::FermionOccupationDBitString::operator= ( FermionOccupationDBitString && )

default

move assignment

◆ operator==()

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

inline

Parameters

[in] other another string

Returns: true if both are null, or both are valid and equal

◆ operator^()

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

inline

Parameters

other another string

Returns: XOR of *this with other

Precondition: this->size() == other.size()

◆ operator|()

FermionOccupationDBitString mpqc::FermionOccupationDBitString::operator| ( const FermionOccupationDBitString & other ) const

inline

Parameters

other another string

Returns: OR of *this with other

Precondition: this->size() == other.size()

◆ populated_states()

const PopulatedSparseOrbitalRange& mpqc::FermionOccupationDBitString::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()

FermionOccupationDBitString& mpqc::FermionOccupationDBitString::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::FermionOccupationDBitString::reset ( )

inline

empties all states

◆ size()

size_t mpqc::FermionOccupationDBitString::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::FermionOccupationDBitString::to_bitset ( ) const

inline

converts to the bitset representation of this string

Returns: bitset representation of this string

Note: asserts that this is nonnull

◆ to_ulong()

unsigned long mpqc::FermionOccupationDBitString::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::FermionOccupationDBitString::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::FermionOccupationDBitString::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

Public Types

Public Member Functions

Member Typedef Documentation

◆ base_type

◆ parent_type

◆ state_index_type

◆ vectorofbool_t

Constructor & Destructor Documentation

◆ FermionOccupationDBitString() [1/8]

◆ FermionOccupationDBitString() [2/8]

◆ FermionOccupationDBitString() [3/8]

◆ ~FermionOccupationDBitString()

◆ FermionOccupationDBitString() [4/8]

◆ FermionOccupationDBitString() [5/8]

◆ FermionOccupationDBitString() [6/8]

◆ FermionOccupationDBitString() [7/8]

◆ FermionOccupationDBitString() [8/8]

Member Function Documentation

◆ add()

◆ clone()

◆ count() [1/2]

◆ count() [2/2]

◆ empty()

◆ find_first_occupied()

◆ find_next_occupied()

◆ flip()

◆ hash_value()

◆ occupied_states()

◆ operator bool()

◆ operator!=()

◆ operator&()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ operator^()

◆ operator|()

◆ populated_states()

◆ remove()

◆ reset()

◆ size()

◆ to_bitset()

◆ to_ulong()

◆ to_vectorofbool()

◆ unoccupied_states()