madness::Key< NDIM > Class Template Reference

Key is the index for a node of the 2^NDIM-tree. More...

#include <key.h>

Collaboration diagram for madness::Key< NDIM >:

Public Member Functions
	Key ()
	Default constructor makes an initialized key.
	Key (int n)
	Constructor with given n and l=0.
	Key (Level n, const Vector< Translation, NDIM > &l)
	Constructor with given n, l.
template<std::size_t LDIM, std::size_t KDIM>
void	break_apart (Key< LDIM > &key1, Key< KDIM > &key2) const
	break key into two low-dimensional keys
uint64_t	distsq () const
uint64_t	distsq_bc (const array_of_bools< NDIM > &is_periodic) const
	like distsq() but accounts for periodicity
template<std::size_t NDIM2>
std::enable_if_t< NDIM >=NDIM2, uint64_t >	distsq_bc (const array_of_bools< NDIM > &is_periodic, const std::array< std::size_t, NDIM2 > &axes) const
	like "periodic" distsq() but only selects the prescribed axes
uint64_t	distsq_images (const array_of_bools< NDIM > &is_periodic) const
	like distsq_bc() but to the nearest lattice image other than the home cell
template<std::size_t VDIM>
Key< VDIM >	extract_back () const
	extract a new key consisting of last VDIM dimensions of this
template<std::size_t VDIM>
Key< NDIM-VDIM >	extract_complement_key (const std::array< int, VDIM > &v) const
	extract a new key with the Translations complementary to the ones indicated in the v array
template<std::size_t VDIM>
Key< VDIM >	extract_front () const
	extract a new key consisting of first VDIM dimensions of this
template<std::size_t VDIM>
Key< VDIM >	extract_key (const std::array< int, VDIM > &v) const
	extract a new key with the Translations indicated in the v array
hashT	hash () const
bool	is_child_of (const Key &key) const
bool	is_farther_out_than (const Key< NDIM > &other) const
	return if the other key is pointing in the same direction and is farther out
bool	is_invalid () const
	Checks if a key is invalid.
bool	is_neighbor_of (const Key &key, const array_of_bools< NDIM > &bperiodic) const
	Assuming keys are at the same level, returns true if displaced by no more than 1 in any direction.
template<typename T>
bool	is_neighbor_of (const Vector< T, NDIM > &simpt, const array_of_bools< NDIM > &bperiodic) const
	True iff this box is a neighbor of a point in simulation coordinates.
bool	is_parent_of (const Key &key) const
bool	is_valid () const
	Checks if a key is valid.
Level	level () const
template<std::size_t LDIM>
Key< NDIM+LDIM >	merge_with (const Key< LDIM > &rhs) const
	merge with other key (ie concatenate), use level of rhs, not of this
Key	neighbor (const Key< NDIM > &disp) const
	given a displacement, generate a neighbor key; ignore boundary conditions and disp's level
Key	neighbor (const Vector< Translation, NDIM > &disp) const
	given a displacement, generate a neighbor key; ignore boundary conditions and disp's level
bool	operator!= (const Key &other) const
bool	operator< (const Key &other) const
	Comparison operator less than to enable storage in STL map.
bool	operator== (const Key &other) const
	Equality test.
const Translation &	operator[] (std::size_t d) const
	const accessor to elements of this->translation()
Key	parent (int generation=1) const
	Returns the key of the parent.
double	real_distsq (const madness::Tensor< double > &widths) const
double	real_distsq_bc (const array_of_bools< NDIM > &is_periodic, const Tensor< double > &widths) const
	like real_distsq() but accounts for periodicity
double	real_distsq_images (const array_of_bools< NDIM > &is_periodic, const Tensor< double > &widths) const
	like real_distsq_bc() but to the nearest lattice image other than the home cell (see distsq_images())
double	real_distsq_images_centers (const array_of_bools< NDIM > &is_periodic, const Tensor< double > &widths) const
	like real_distsq_images() but between the centers of the boxes
void	rehash ()
	Recomputes hashval ... presently only done when reading from external storage.
bool	thisKeyContains (const Vector< double, NDIM > &x, const unsigned int &dim0, const unsigned int &dim1) const
	check if this MultiIndex contains point x, disregarding these two dimensions
const Vector< Translation, NDIM > &	translation () const

Static Public Member Functions
static constexpr uint64_t	distsq_images_axis_max ()
	the largest contribution of one axis to distsq_images(); NDIM <= 6 of them sum below 2^63
static Key< NDIM >	invalid ()
	Returns an invalid key.

Static Public Attributes
static const std::size_t	static_size = NDIM

Private Member Functions
template<typename F>
auto	distsq_images_impl (const array_of_bools< NDIM > &is_periodic, F &&axis_distsq) const

Private Attributes
hashT	hashval = 0
Vector< Translation, NDIM >	l = Vector<Translation, NDIM>(0)
Level	n = 0

Static Private Attributes
static constexpr uint64_t	distsq_images_axis_cap = uint64_t(1) << 30
	|l| in boxes at which distsq_images() saturates

Friends
class	KeyChildIterator< NDIM >

Detailed Description

template<std::size_t NDIM>
class madness::Key< NDIM >

Key is the index for a node of the 2^NDIM-tree.

See KeyChildIterator for facile generation of children, and foreach_child(parent,op) for facile application of operators to child keys.

Constructor & Destructor Documentation

Key() [1/3]

template<std::size_t NDIM>

madness::Key< NDIM >::Key ( )

inline

Default constructor makes an initialized key.

Referenced by madness::Key< D >::break_apart(), madness::Key< D >::extract_back(), madness::Key< D >::extract_front(), madness::Key< D >::extract_key(), Key::foreach_child(), madness::Key< D >::merge_with(), madness::Key< D >::neighbor(), madness::Key< D >::neighbor(), Key::parent(), and madness::Key< D >::parent().

Key() [2/3]

template<std::size_t NDIM>

madness::Key< NDIM >::Key ( Level n, const Vector< Translation, NDIM > & l )

inline

Constructor with given n, l.

Key() [3/3]

template<std::size_t NDIM>

madness::Key< NDIM >::Key ( int n )

inline

Constructor with given n and l=0.

Member Function Documentation

break_apart()

template<std::size_t NDIM>

template<std::size_t LDIM, std::size_t KDIM>

void madness::Key< NDIM >::break_apart ( Key< LDIM > & key1, Key< KDIM > & key2 ) const

inline

break key into two low-dimensional keys

Referenced by madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::compute_error_from_inaccurate_refinement(), madness::FunctionImpl< T, LDIM >::dirac_convolution_op(), madness::FunctionImpl< T, LDIM >::do_dirac_convolution(), madness::SeparatedConvolution< double, 3 >::get_source_key(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >::make_child(), madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::recursive_apply_op_vec< opT, LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::make_child(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::make_child(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::make_sum_coeffs(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::make_sum_coeffs(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::make_sum_coeffs(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::make_term_coeffs(), madness::ElectronCuspyBox_op< T, NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >::operator()(), madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::pointwise_multiplier< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::recursive_apply_op_vec< opT, LDIM >::operator()(), madness::NuclearCuspyBox_op< T, NDIM >::operator()(), madness::FunctionImpl< T, LDIM >::partial_inner_contract(), and madness::FunctionImpl< T, LDIM >::project_out2().

distsq()

template<std::size_t NDIM>

uint64_t madness::Key< NDIM >::distsq ( ) const

inline

distsq_bc() [1/2]

template<std::size_t NDIM>

uint64_t madness::Key< NDIM >::distsq_bc ( const array_of_bools< NDIM > & is_periodic ) const

inline

like distsq() but accounts for periodicity

distsq_bc() [2/2]

template<std::size_t NDIM>

template<std::size_t NDIM2>

std::enable_if_t< NDIM >=NDIM2, uint64_t > madness::Key< NDIM >::distsq_bc ( const array_of_bools< NDIM > & is_periodic, const std::array< std::size_t, NDIM2 > & axes ) const

inline

like "periodic" distsq() but only selects the prescribed axes

distsq_images()

template<std::size_t NDIM>

uint64_t madness::Key< NDIM >::distsq_images ( const array_of_bools< NDIM > & is_periodic ) const

inline

like distsq_bc() but to the nearest lattice image other than the home cell

The rest-of-crystal kernel (OperatorInfo::images_only) at displacement l sums the free-space kernel at l + R 2^n over the lattice vectors R != 0 of the periodic axes, so it decays with this distance as an ordinary lattice-summed kernel decays with distsq_bc().

Note

saturates: each axis contributes at most distsq_images_axis_max(), since from level 31 on the offset to the next-nearest image (~2^n boxes) squared does not fit; real_distsq_images() does not

distsq_images_axis_max()

template<std::size_t NDIM>

constexpr uint64_t madness::Key< NDIM >::distsq_images_axis_max ( )

inlinestaticconstexpr

the largest contribution of one axis to distsq_images(); NDIM <= 6 of them sum below 2^63

distsq_images_impl()

template<std::size_t NDIM>

template<typename F>

auto madness::Key< NDIM >::distsq_images_impl ( const array_of_bools< NDIM > & is_periodic, F && axis_distsq ) const

inlineprivate

min over R != 0 of sum_d axis_distsq(d, l_d + R_d 2^n), R_d = 0 along nonperiodic axes. The sum is separable, so the minimum takes the nearest image on every axis (as distsq_bc() does) unless that is R = 0 on every periodic axis; then exactly one periodic axis moves to its next-nearest image, the one that costs least.

Referenced by madness::Key< D >::distsq_images(), madness::Key< D >::real_distsq_images(), and madness::Key< D >::real_distsq_images_centers().

extract_back()

template<std::size_t NDIM>

template<std::size_t VDIM>

Key< VDIM > madness::Key< NDIM >::extract_back ( ) const

inline

extract a new key consisting of last VDIM dimensions of this

extract_complement_key()

template<std::size_t NDIM>

template<std::size_t VDIM>

Key< NDIM-VDIM > madness::Key< NDIM >::extract_complement_key ( const std::array< int, VDIM > & v ) const

inline

extract a new key with the Translations complementary to the ones indicated in the v array

Referenced by madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map().

extract_front()

template<std::size_t NDIM>

template<std::size_t VDIM>

Key< VDIM > madness::Key< NDIM >::extract_front ( ) const

inline

extract a new key consisting of first VDIM dimensions of this

extract_key()

template<std::size_t NDIM>

template<std::size_t VDIM>

Key< VDIM > madness::Key< NDIM >::extract_key ( const std::array< int, VDIM > & v ) const

inline

extract a new key with the Translations indicated in the v array

Referenced by madness::Key< D >::extract_complement_key(), and madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map().

hash()

template<std::size_t NDIM>

hashT madness::Key< NDIM >::hash ( ) const

inline

Referenced by operator<<(), LevelPmap::owner(), LevelPmapX::owner(), madness::LevelPmap< keyT >::owner(), PartitionPmap::owner(), and madness::MyPmap< D >::simple_hash().

invalid()

template<std::size_t NDIM>

Key< NDIM > madness::Key< NDIM >::invalid ( )

inlinestatic

Returns an invalid key.

Referenced by madness::DerivativeBase< T, NDIM >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor(), and madness::FunctionImpl< T, NDIM >::neighbor_in_volume().

is_child_of()

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_child_of ( const Key< NDIM > & key ) const

inline

Referenced by madness::Key< D >::is_parent_of().

is_farther_out_than()

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_farther_out_than ( const Key< NDIM > & other ) const

inline

return if the other key is pointing in the same direction and is farther out

unlike in distsq() the direction is taken into account, and other must be longer than this in each dimension

Parameters

[in]

other

a key

Returns

if other is farther out

is_invalid()

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_invalid ( ) const

inline

Checks if a key is invalid.

Referenced by madness::DerivativeBase< T, NDIM >::find_neighbor(), madness::FunctionImpl< T, NDIM >::parent_to_child(), and madness::DerivativeBase< T, NDIM >::stage_halo().

is_neighbor_of() [1/2]

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_neighbor_of ( const Key< NDIM > & key, const array_of_bools< NDIM > & bperiodic ) const

inline

Assuming keys are at the same level, returns true if displaced by no more than 1 in any direction.

Assumes key and this are at the same level

Referenced by madness::Specialbox_op< T, NDIM >::check_special_points(), and madness::FunctionImpl< T, NDIM >::project_refine_op().

is_neighbor_of() [2/2]

template<std::size_t NDIM>

template<typename T>

bool madness::Key< NDIM >::is_neighbor_of ( const Vector< T, NDIM > & simpt, const array_of_bools< NDIM > & bperiodic ) const

inline

True iff this box is a neighbor of a point in simulation coordinates.

Geometrically: this box's closure overlaps the closed box of half-width 1 (one box-width at this level) centered on simpt. Equivalently, the Chebyshev distance from this box to simpt (measured in box-widths) is at most 1.

This is the point-argument analogue of the key-vs-key overload is_neighbor_of(Key, bperiodic); both express "within one box-width" adjacency. It supersedes the legacy idiom simpt2key(simpt, n).is_neighbor_of(*this, ...), which was asymmetric for points lying on box boundaries because simpt2key truncates to a single key. The new test reports face-, edge-, and corner-coincident points as contained in every box that shares the face/edge/corner — and therefore every neighbor of those boxes is correctly flagged too.

Parameters

[in]	simpt	point in simulation coordinates (in [0,1]^NDIM, modulo 1 in periodic dimensions)
[in]	bperiodic	per-dimension periodic-boundary flags

is_parent_of()

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_parent_of ( const Key< NDIM > & key ) const

inline

is_valid()

template<std::size_t NDIM>

bool madness::Key< NDIM >::is_valid ( ) const

inline

Checks if a key is valid.

Referenced by madness::FunctionImpl< T, LDIM >::do_apply(), and madness::FunctionImpl< T, LDIM >::do_apply_directed_screening().

level()

template<std::size_t NDIM>

Level madness::Key< NDIM >::level ( ) const

inline

Referenced by madness::FunctionNode< T, NDIM >::accumulate(), madness::FunctionNode< T, NDIM >::accumulate2(), madness::nemo_u1_functors::append(), madness::FunctionImpl< T, LDIM >::apply_1d_realspace_push_op(), madness::Specialbox_op< T, NDIM >::box_is_at_boundary(), madness::Specialbox_op< T, NDIM >::check_special_points(), madness::FunctionImpl< T, NDIM >::chop_at_level(), madness::FunctionCommonFunctionality< T, NDIM >::coeffs2values(), madness::FunctionCommonFunctionality< T, NDIM >::coeffs2values(), madness::FunctionImpl< T, LDIM >::coeffs2values(), madness::FunctionImpl< T, LDIM >::coeffs2values(), madness::Leaf_op< T, NDIM, opT, specialboxT >::compare_to_parent(), madness::FunctionImpl< T, NDIM >::compress_op(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_images_impl(), madness::FunctionImpl< T, LDIM >::do_apply(), madness::FunctionImpl< T, LDIM >::do_apply_directed_screening(), madness::FunctionImpl< T, LDIM >::do_binary_op(), madness::Derivative< double, 1 >::do_diff2b(), madness::Derivative< double, 1 >::do_diff2i(), madness::FunctionImpl< T, LDIM >::do_mul(), madness::FunctionImpl< T, NDIM >::do_print_grid(), madness::FunctionImpl< T, NDIM >::do_print_tree(), madness::FunctionImpl< T, NDIM >::do_print_tree_graphviz(), madness::FunctionImpl< T, NDIM >::do_print_tree_json(), madness::FunctionImpl< T, NDIM >::erase(), madness::FunctionImpl< T, LDIM >::err_box(), madness::FunctionImpl< T, NDIM >::eval(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::evaldepthpt(), madness::FunctionImpl< T, NDIM >::evalR(), madness::Key< D >::extract_back(), madness::Key< D >::extract_front(), madness::Key< D >::extract_key(), madness::fcube(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, NDIM >::recursive_apply_op2< opT >::finalize(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::finalize(), madness::FunctionImpl< T, NDIM >::recursive_apply_op_vec< opT, LDIM >::finalize(), madness::DerivativeBase< T, NDIM >::find_neighbor(), madness::FunctionImpl< T, LDIM >::get_contraction_node_lists(), madness::FunctionImpl< T, NDIM >::get_norm_tree_recursive(), madness::FunctionImpl< Q, NDIM >::get_norm_tree_recursive(), FunctionIOData< T, NDIM >::initialize_func_coeffs(), madness::FunctionImpl< T, NDIM >::insert_zero_down_to_initial_level(), madness::CoeffTracker< T, LDIM >::make_child(), madness::TwoElectronInterface< T, NDIM >::make_coeff(), madness::Key< D >::merge_with(), madness::Convolution1D< double_complex >::mod_nonstandard(), madness::FunctionImpl< T, LDIM >::mul(), madness::DerivativeBase< T, NDIM >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor(), madness::Key< D >::neighbor(), madness::Key< D >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor_in_volume(), madness::MyPmap< D >::not_so_simple_hash(), madness::FunctionImpl< T, LDIM >::NS_fcube_for_mul(), madness::FunctionImpl< T, LDIM >::NScoeffs2values(), DirichletLBCost< NDIM >::operator()(), LBCost::operator()(), LBCost::operator()(), lbcost< T, NDIM >::operator()(), madness::composite_product_op_NS< T, NDIM, opT, LDIM >::operator()(), madness::ElectronCuspyBox_op< T, NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_map_and_mirror::operator()(), madness::FunctionImpl< T, NDIM >::do_mapdim::operator()(), madness::FunctionImpl< T, NDIM >::do_mirror::operator()(), madness::FunctionImpl< T, NDIM >::do_standard::operator()(), madness::FunctionImpl< T, NDIM >::do_unary_op_value_inplace< opT >::operator()(), madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::operator()(), madness::hartree_convolute_leaf_op< T, NDIM, LDIM, opT >::operator()(), madness::hartree_leaf_op< T, NDIM >::operator()(), madness::hartree_leaf_op_vec< T, NDIM >::operator()(), madness::lbcost< T, NDIM >::operator()(), madness::NuclearCuspyBox_op< T, NDIM >::operator()(), madness::op_leaf_op< T, NDIM, opT >::operator()(), madness::op_leaf_op< T, NDIM, opT >::operator()(), true_if_n_gt_op::operator()(), YetAnotherWrapperClass::operator()(), madness::operator<<(), LevelPmap::owner(), LevelPmapX::owner(), madness::LBDeuxPmap< NDIM >::owner(), PartitionPmap::owner(), madness::FunctionImpl< T, NDIM >::parent_to_child(), madness::FunctionImpl< T, NDIM >::parent_to_child_NS(), madness::FunctionImpl< T, LDIM >::partial_inner_contract(), madness::Leaf_op< T, NDIM, opT, specialboxT >::post_screening(), madness::FunctionImpl< T, NDIM >::print_plane_local(), madness::FunctionImpl< T, NDIM >::project(), madness::FunctionImpl< T, NDIM >::project_refine_op(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::Key< D >::real_distsq_bc(), madness::FunctionImpl< T, NDIM >::reconstruct_op(), madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map(), madness::FunctionImpl< T, LDIM >::refine_op(), madness::FunctionNode< T, NDIM >::set_has_children_recursive(), madness::MyPmap< D >::simple_hash(), madness::Leaf_op< T, NDIM, opT, specialboxT >::special_refinement_needed(), madness::LBNodeDeux< NDIM >::sum(), madness::LoadBalanceDeux< NDIM >::sum(), madness::FunctionImpl< T, NDIM >::trace_local(), madness::FunctionImpl< T, NDIM >::trickle_down_op(), madness::FunctionImpl< T, NDIM >::truncate_op(), madness::FunctionImpl< T, NDIM >::truncate_reconstructed_op(), madness::FunctionImpl< T, NDIM >::truncate_spawn(), madness::FunctionImpl< T, NDIM >::truncate_tol(), madness::FunctionCommonFunctionality< T, NDIM >::values2coeffs(), madness::FunctionCommonFunctionality< T, NDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2coeffs(), madness::FunctionImpl< T, LDIM >::values2NScoeffs(), FunctionIO< double, D >::write_function_coeffs(), and write_function_coeffs().

merge_with()

template<std::size_t NDIM>

template<std::size_t LDIM>

Key< NDIM+LDIM > madness::Key< NDIM >::merge_with ( const Key< LDIM > & rhs ) const

inline

merge with other key (ie concatenate), use level of rhs, not of this

Referenced by madness::FunctionImpl< T, LDIM >::do_apply_directed_screening(), madness::SeparatedConvolution< double, 3 >::getop_modified(), and madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map().

neighbor() [1/2]

template<std::size_t NDIM>

Key madness::Key< NDIM >::neighbor ( const Key< NDIM > & disp ) const

inline

given a displacement, generate a neighbor key; ignore boundary conditions and disp's level

Parameters

[in]

disp

the displacement

Returns

a new key

neighbor() [2/2]

template<std::size_t NDIM>

Key madness::Key< NDIM >::neighbor ( const Vector< Translation, NDIM > & disp ) const

inline

given a displacement, generate a neighbor key; ignore boundary conditions and disp's level

Parameters

[in]

disp

the displacement

Returns

a new key

operator!=()

template<std::size_t NDIM>

bool madness::Key< NDIM >::operator!= ( const Key< NDIM > & other ) const

inline

operator<()

template<std::size_t NDIM>

bool madness::Key< NDIM >::operator< ( const Key< NDIM > & other ) const

inline

Comparison operator less than to enable storage in STL map.

operator==()

template<std::size_t NDIM>

bool madness::Key< NDIM >::operator== ( const Key< NDIM > & other ) const

inline

Equality test.

operator[]()

template<std::size_t NDIM>

const Translation & madness::Key< NDIM >::operator[] ( std::size_t d ) const

inline

const accessor to elements of this->translation()

parent()

template<std::size_t NDIM>

Key madness::Key< NDIM >::parent ( int generation = 1 ) const

inline

Returns the key of the parent.

Default is the immediate parent (generation=1). To get the grandparent use generation=2, and similarly for great-grandparents.

!! If there is no such parent it quietly returns the closest match (which may be self if this is the top of the tree).

Referenced by madness::FunctionNode< T, NDIM >::accumulate(), madness::FunctionNode< T, NDIM >::accumulate2(), madness::DerivativeBase< T, NDIM >::find_neighbor(), madness::FunctionImpl< T, LDIM >::get_contraction_node_lists(), madness::FunctionImpl< T, NDIM >::get_norm_tree_recursive(), madness::Key< D >::is_child_of(), madness::MyPmap< D >::not_so_simple_hash(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), LevelPmap::owner(), LevelPmapX::owner(), madness::LBDeuxPmap< NDIM >::owner(), PartitionPmap::owner(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::FunctionNode< T, NDIM >::set_has_children_recursive(), madness::MyPmap< D >::simple_hash(), madness::FunctionImpl< T, NDIM >::sock_it_to_me_too(), madness::LBNodeDeux< NDIM >::sum(), madness::LoadBalanceDeux< NDIM >::sum(), and madness::FunctionImpl< T, LDIM >::vtransform_doit().

real_distsq()

template<std::size_t NDIM>

double madness::Key< NDIM >::real_distsq ( const madness::Tensor< double > & widths ) const

inline

real_distsq_bc()

template<std::size_t NDIM>

double madness::Key< NDIM >::real_distsq_bc ( const array_of_bools< NDIM > & is_periodic, const Tensor< double > & widths ) const

inline

like real_distsq() but accounts for periodicity

real_distsq_images()

template<std::size_t NDIM>

double madness::Key< NDIM >::real_distsq_images ( const array_of_bools< NDIM > & is_periodic, const Tensor< double > & widths ) const

inline

like real_distsq_bc() but to the nearest lattice image other than the home cell (see distsq_images())

real_distsq_images_centers()

template<std::size_t NDIM>

double madness::Key< NDIM >::real_distsq_images_centers ( const array_of_bools< NDIM > & is_periodic, const Tensor< double > & widths ) const

inline

like real_distsq_images() but between the centers of the boxes

real_distsq_images() is the least distance between points of the two boxes, which is zero for every displacement one box from an image whatever the axis. The center distance is the axis width there, so it tells those displacements apart (Displacements::sort_displacements_images breaks ties with it).

rehash()

template<std::size_t NDIM>

void madness::Key< NDIM >::rehash ( )

inline

Recomputes hashval ... presently only done when reading from external storage.

Referenced by madness::Key< D >::Key(), madness::Key< D >::Key(), madness::Key< D >::invalid(), and madness::archive::ArchiveLoadImpl< BinaryFstreamInputArchive, Key< NDIM > >::load().

thisKeyContains()

template<std::size_t NDIM>

bool madness::Key< NDIM >::thisKeyContains ( const Vector< double, NDIM > & x, const unsigned int & dim0, const unsigned int & dim1 ) const

inline

check if this MultiIndex contains point x, disregarding these two dimensions

Referenced by madness::FunctionImpl< T, NDIM >::print_plane_local().

translation()

template<std::size_t NDIM>

const Vector< Translation, NDIM > & madness::Key< NDIM >::translation ( ) const

inline

Referenced by madness::nemo_u1_functors::append(), madness::FunctionImpl< T, LDIM >::apply_1d_realspace_push_op(), madness::Specialbox_op< T, NDIM >::box_is_at_boundary(), madness::FunctionImpl< T, NDIM >::child_patch(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_bc(), madness::Key< D >::distsq_images_impl(), madness::DerivativeBase< T, NDIM >::do_diff1(), madness::Derivative< double, 1 >::do_diff2b(), madness::FunctionImpl< T, NDIM >::do_print_grid(), madness::FunctionImpl< T, NDIM >::do_print_tree_graphviz(), madness::FunctionImpl< T, NDIM >::do_print_tree_json(), madness::FunctionImpl< T, NDIM >::eval(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::eval_local_only(), madness::FunctionImpl< Q, NDIM >::eval_local_only(), madness::FunctionImpl< T, NDIM >::evaldepthpt(), madness::FunctionImpl< T, NDIM >::evalR(), madness::Key< D >::extract_back(), madness::Key< D >::extract_front(), madness::Key< D >::extract_key(), madness::fcube(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, LDIM >::fcube_for_mul(), madness::FunctionImpl< T, LDIM >::get_contraction_node_lists(), madness::SeparatedConvolution< double, 3 >::getmuop(), madness::SeparatedConvolution< double, 3 >::getmuop_modified(), madness::SimpleCache< Q, NDIM >::getptr(), madness::LBNodeDeux< NDIM >::index(), FunctionIOData< T, NDIM >::initialize_func_coeffs(), madness::Key< D >::is_farther_out_than(), madness::TwoElectronInterface< T, NDIM >::make_coeff(), madness::Key< D >::merge_with(), madness::Convolution1D< double_complex >::mod_nonstandard(), madness::DerivativeBase< T, NDIM >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor(), madness::Key< D >::neighbor(), madness::Key< D >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor_in_volume(), madness::MyPmap< D >::not_so_simple_hash(), madness::FunctionImpl< T, LDIM >::NS_fcube_for_mul(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::FunctionImpl< T, NDIM >::do_map_and_mirror::operator()(), madness::FunctionImpl< T, NDIM >::do_mapdim::operator()(), madness::FunctionImpl< T, NDIM >::do_mirror::operator()(), YetAnotherWrapperClass::operator()(), madness::operator<<(), madness::SeparatedConvolution< double, 3 >::partial_upsample(), madness::FunctionImpl< T, NDIM >::print_plane_local(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), madness::Key< D >::real_distsq_bc(), madness::SimpleCache< Q, NDIM >::set(), madness::FunctionImpl< T, NDIM >::upsample(), madness::SeparatedConvolution< double, 3 >::upsample(), FunctionIO< double, D >::write_function_coeffs(), and write_function_coeffs().

Friends And Related Symbol Documentation

KeyChildIterator< NDIM >

template<std::size_t NDIM>

friend class KeyChildIterator< NDIM >

friend

Member Data Documentation

distsq_images_axis_cap

template<std::size_t NDIM>

uint64_t madness::Key< NDIM >::distsq_images_axis_cap = uint64_t(1) << 30

staticconstexprprivate

|l| in boxes at which distsq_images() saturates

hashval

template<std::size_t NDIM>

hashT Key::hashval = 0

private

Referenced by madness::Key< D >::operator<(), and madness::Key< D >::operator==().

l

template<std::size_t NDIM>

Vector<Translation, NDIM> madness::Key< NDIM >::l = Vector<Translation, NDIM>(0)

private

Referenced by madness::Key< D >::invalid(), madness::Key< D >::is_neighbor_of(), madness::Key< D >::operator<(), and madness::Key< D >::operator==().

n

template<std::size_t NDIM>

ulong Key::n = 0

private

Referenced by madness::Key< D >::invalid(), madness::Key< D >::is_child_of(), madness::Key< D >::operator<(), operator<<(), and madness::Key< D >::operator==().

static_size

template<std::size_t NDIM>

const std::size_t madness::Key< NDIM >::static_size = NDIM

static

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

• key.h
• test_world.cc