HybridDecomposition Class Reference

Hybrid decomposition cell system. More...

#include <HybridDecomposition.hpp>

Inheritance diagram for HybridDecomposition:

Collaboration diagram for HybridDecomposition:

Public Member Functions
	HybridDecomposition (boost::mpi::communicator comm, double cutoff_regular, double skin, std::function< bool()> get_ghost_flags, BoxGeometry const &box_geo, LocalBox const &local_box, std::set< int > n_square_types)
auto	get_cell_grid () const
auto	get_cell_size () const
auto	get_n_square_types () const
void	resort (bool global, std::vector< ParticleChange > &diff) override
auto	get_cutoff_regular () const
GhostCommunicator const &	exchange_ghosts_comm () const override
GhostCommunicator const &	collect_ghost_force_comm () const override
std::span< Cell *const >	local_cells () const override
std::span< Cell *const >	ghost_cells () const override
Cell *	particle_to_cell (Particle const &p) override
Cell const *	particle_to_cell (Particle const &p) const override
Utils::Vector3d	max_cutoff () const override
Utils::Vector3d	max_range () const override
std::optional< BoxGeometry >	minimum_image_distance () const override
BoxGeometry const &	box () const override
std::size_t	count_particles_in_regular () const
	Count particles in child regular decompositions.
std::size_t	count_particles_in_n_square () const
	Count particles in child N-square decompositions.
Public Member Functions inherited from ParticleDecomposition
virtual	~ParticleDecomposition ()=default

Detailed Description

Hybrid decomposition cell system.

Store particles with short-range interactions in a RegularDecomposition cell system and particles with long-range interactions in a AtomDecomposition (N-square) cell system. All regular cells are coupled to the N-square cells.

Definition at line 56 of file HybridDecomposition.hpp.

Constructor & Destructor Documentation

HybridDecomposition()

HybridDecomposition::HybridDecomposition	(	boost::mpi::communicator	comm,
		double	cutoff_regular,
		double	skin,
		std::function< bool()>	get_ghost_flags,
		BoxGeometry const &	box_geo,
		LocalBox const &	local_box,
		std::set< int >	n_square_types
	)

Definition at line 44 of file HybridDecomposition.cpp.

References AtomDecomposition::collect_ghost_force_comm(), RegularDecomposition::collect_ghost_force_comm(), GhostCommunicator::communications, AtomDecomposition::exchange_ghosts_comm(), RegularDecomposition::exchange_ghosts_comm(), AtomDecomposition::get_ghost_cells(), RegularDecomposition::get_ghost_cells(), AtomDecomposition::get_local_cells(), RegularDecomposition::get_local_cells(), and RegularDecomposition::local_cells().

Member Function Documentation

box()

BoxGeometry const & HybridDecomposition::box ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 130 of file HybridDecomposition.hpp.

collect_ghost_force_comm()

GhostCommunicator const & HybridDecomposition::collect_ghost_force_comm ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 99 of file HybridDecomposition.hpp.

count_particles_in_n_square()

std::size_t HybridDecomposition::count_particles_in_n_square ( ) const

inline

Count particles in child N-square decompositions.

Definition at line 138 of file HybridDecomposition.hpp.

References AtomDecomposition::get_local_cells().

count_particles_in_regular()

std::size_t HybridDecomposition::count_particles_in_regular ( ) const

inline

Count particles in child regular decompositions.

Definition at line 133 of file HybridDecomposition.hpp.

References RegularDecomposition::get_local_cells().

exchange_ghosts_comm()

GhostCommunicator const & HybridDecomposition::exchange_ghosts_comm ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 95 of file HybridDecomposition.hpp.

Referenced by resort().

get_cell_grid()

auto HybridDecomposition::get_cell_grid ( ) const

inline

Definition at line 85 of file HybridDecomposition.hpp.

References RegularDecomposition::cell_grid.

get_cell_size()

auto HybridDecomposition::get_cell_size ( ) const

inline

Definition at line 87 of file HybridDecomposition.hpp.

References RegularDecomposition::cell_size.

get_cutoff_regular()

auto HybridDecomposition::get_cutoff_regular ( ) const

inline

Definition at line 93 of file HybridDecomposition.hpp.

get_n_square_types()

auto HybridDecomposition::get_n_square_types ( ) const

inline

Definition at line 89 of file HybridDecomposition.hpp.

ghost_cells()

std::span< Cell *const > HybridDecomposition::ghost_cells ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 104 of file HybridDecomposition.hpp.

local_cells()

std::span< Cell *const > HybridDecomposition::local_cells ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 103 of file HybridDecomposition.hpp.

max_cutoff()

Utils::Vector3d HybridDecomposition::max_cutoff ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 120 of file HybridDecomposition.hpp.

References AtomDecomposition::max_cutoff().

max_range()

Utils::Vector3d HybridDecomposition::max_range ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 124 of file HybridDecomposition.hpp.

References AtomDecomposition::max_range().

minimum_image_distance()

std::optional< BoxGeometry > HybridDecomposition::minimum_image_distance ( ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 126 of file HybridDecomposition.hpp.

particle_to_cell() [1/2]

Cell const * HybridDecomposition::particle_to_cell ( Particle const &  p ) const

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 113 of file HybridDecomposition.hpp.

References AtomDecomposition::particle_to_cell(), RegularDecomposition::particle_to_cell(), and Particle::type().

particle_to_cell() [2/2]

Cell * HybridDecomposition::particle_to_cell ( Particle const &  p )

inlineoverridevirtual

Implements ParticleDecomposition.

Definition at line 106 of file HybridDecomposition.hpp.

References AtomDecomposition::particle_to_cell(), RegularDecomposition::particle_to_cell(), and Particle::type().

Referenced by resort().

resort()

void HybridDecomposition::resort ( bool  global, std::vector< ParticleChange > &  diff  )

overridevirtual

Implements ParticleDecomposition.

Definition at line 99 of file HybridDecomposition.cpp.

References exchange_ghosts_comm(), AtomDecomposition::get_local_cells(), RegularDecomposition::get_local_cells(), ghost_communicator(), GHOSTTRANS_PARTNUM, RemovedParticle::id, AtomDecomposition::local_cells(), RegularDecomposition::local_cells(), map_data_parts(), particle_to_cell(), RegularDecomposition::resort(), and AtomDecomposition::resort().

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

• HybridDecomposition.hpp
• HybridDecomposition.cpp