ParticleDecomposition Class Reference

A distributed particle decomposition. More...

#include <ParticleDecomposition.hpp>

Inheritance diagram for ParticleDecomposition:

Public Member Functions
virtual void	resort (bool global_flag, std::vector< ParticleChange > &diff)=0
	Resort particles.
virtual GhostCommunicator const &	exchange_ghosts_comm () const =0
	Communicator for updating ghosts from the real particles.
virtual GhostCommunicator const &	collect_ghost_force_comm () const =0
	Communicator for force reduction.
virtual std::span< Cell *const >	local_cells () const =0
	Get pointer to local cells.
virtual std::span< Cell *const >	ghost_cells () const =0
	Get pointer to local cells.
virtual Cell *	particle_to_cell (Particle const &p)=0
	Determine which cell a particle id belongs to.
virtual Cell const *	particle_to_cell (Particle const &p) const =0
virtual Utils::Vector3d	max_cutoff () const =0
	Maximum supported cutoff.
virtual Utils::Vector3d	max_range () const =0
	Range in which calculations are performed.
virtual std::optional< BoxGeometry >	minimum_image_distance () const =0
	Return the box geometry needed for distance calculation if minimum image convention should be used needed for distance calculation.
virtual BoxGeometry const &	box () const =0
virtual	~ParticleDecomposition ()=default

Detailed Description

A distributed particle decomposition.

An implementation of this class organizes particles into cells. It owns the particles, and provides a way of restoring the order when it is disturbed, and provides a description of the neighborhood relations between the cells, by which pair interactions with particles near-by can be calculated. Related to this it provides descriptions of the ghost communications by which particles can be synchronized that are not owned locally, but interact with local particles.

Definition at line 59 of file ParticleDecomposition.hpp.

Constructor & Destructor Documentation

~ParticleDecomposition()

virtual ParticleDecomposition::~ParticleDecomposition ( )

virtualdefault

Member Function Documentation

box()

virtual BoxGeometry const & ParticleDecomposition::box ( ) const

pure virtual

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

Referenced by CellStructure::run_on_particle_short_range_neighbors().

collect_ghost_force_comm()

virtual GhostCommunicator const & ParticleDecomposition::collect_ghost_force_comm ( ) const

pure virtual

Communicator for force reduction.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

exchange_ghosts_comm()

virtual GhostCommunicator const & ParticleDecomposition::exchange_ghosts_comm ( ) const

pure virtual

Communicator for updating ghosts from the real particles.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

ghost_cells()

virtual std::span< Cell *const > ParticleDecomposition::ghost_cells ( ) const

pure virtual

Get pointer to local cells.

Ghost cells are cells that contain particles that are owned by different nodes but interact with particles on this node.

Returns

List of ghost cells.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

local_cells()

virtual std::span< Cell *const > ParticleDecomposition::local_cells ( ) const

pure virtual

Get pointer to local cells.

Local cells are cells that contain particles that are owned by this node.

Returns

List of local cells.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

Referenced by CellStructure::add_particle(), CellStructure::check_particle_sorting(), CellStructure::remove_all_particles(), and CellStructure::remove_particle().

max_cutoff()

virtual Utils::Vector3d ParticleDecomposition::max_cutoff ( ) const

pure virtual

Maximum supported cutoff.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

Referenced by CellStructure::max_cutoff().

max_range()

virtual Utils::Vector3d ParticleDecomposition::max_range ( ) const

pure virtual

Range in which calculations are performed.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

Referenced by CellStructure::max_range().

minimum_image_distance()

virtual std::optional< BoxGeometry > ParticleDecomposition::minimum_image_distance ( ) const

pure virtual

Return the box geometry needed for distance calculation if minimum image convention should be used needed for distance calculation.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

Referenced by CellStructure::run_on_particle_short_range_neighbors().

particle_to_cell() [1/2]

virtual Cell const * ParticleDecomposition::particle_to_cell ( Particle const &  p ) const

pure virtual

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

particle_to_cell() [2/2]

virtual Cell * ParticleDecomposition::particle_to_cell ( Particle const &  p )

pure virtual

Determine which cell a particle id belongs to.

Parameters

p	Particle to find cell for.

Returns

Pointer to cell or nullptr if not local.

Implemented in AtomDecomposition, HybridDecomposition, and RegularDecomposition.

resort()

virtual void ParticleDecomposition::resort ( bool  global_flag, std::vector< ParticleChange > &  diff  )

pure virtual

Resort particles.

After calling this function, every particle is in its home cell. The output parameter is filled with the changes to the local particle content, which allows e.g. to keep particles indices in an efficient way.

This is a collective call.

Parameters

[in]	global_flag	Expect particles to be displaced by more than a local box size.
[out]	diff	Cells that have been touched.

Implemented in HybridDecomposition, RegularDecomposition, and AtomDecomposition.

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

• ParticleDecomposition.hpp