BondBreakage Namespace Reference

Classes
class	BondBreakage
struct	BreakageSpec
struct	DeleteAllBonds
struct	DeleteAngleBond
struct	DeleteBond
class	execute
struct	QueueEntry

Typedefs
using	Action = std::variant< DeleteBond, DeleteAngleBond, DeleteAllBonds >
using	ActionSet = std::unordered_set< Action >
using	BondPartners = std::array< std::optional< int >, 2 >
	Stores one or two bond partners for pair/angle bonds.
using	Queue = std::vector< QueueEntry >
	Record bonds broken during a time step.

Enumerations
enum class	ActionType { NONE = 0 , DELETE_BOND = 1 , REVERT_BIND_AT_POINT_OF_COLLISION = 2 }

Functions
static auto	gather_global_queue (Queue const &local_queue)
	Gathers combined queue from all mpi ranks.
static ActionSet	actions_for_breakage (CellStructure const &cell_structure, QueueEntry const &e, BreakageSpec const &spec)
	Constructs the actions to take for a breakage queue entry.
static void	remove_bond (Particle &p, BondView const &view)
	Delete specific bond.
static void	remove_pair_bonds_to (Particle &p, int other_pid)
	Delete pair bonds to a specific partner.
static bool	bond_handler (BondBreakage &bond_breakage, Particle &p, std::span< Particle * > partners, int bond_id, BoxGeometry const &box_geo)

Typedef Documentation

Action

using BondBreakage::Action = typedef std::variant<DeleteBond, DeleteAngleBond, DeleteAllBonds>

Definition at line 46 of file bond_breakage.cpp.

ActionSet

using BondBreakage::ActionSet = typedef std::unordered_set<Action>

Definition at line 49 of file bond_breakage.cpp.

BondPartners

using BondBreakage::BondPartners = typedef std::array<std::optional<int>, 2>

Stores one or two bond partners for pair/angle bonds.

Definition at line 35 of file bond_breakage.hpp.

Queue

using BondBreakage::Queue = typedef std::vector<QueueEntry>

Record bonds broken during a time step.

Definition at line 65 of file bond_breakage.hpp.

Enumeration Type Documentation

ActionType

enum class BondBreakage::ActionType

strong

Enumerator
NONE
DELETE_BOND
REVERT_BIND_AT_POINT_OF_COLLISION

Definition at line 37 of file bond_breakage.hpp.

Function Documentation

actions_for_breakage()

static ActionSet BondBreakage::actions_for_breakage ( CellStructure const &  cell_structure, QueueEntry const &  e, BreakageSpec const &  spec  )

static

Constructs the actions to take for a breakage queue entry.

Definition at line 69 of file bond_breakage.cpp.

References DELETE_BOND, CellStructure::get_local_particle(), BondBreakage::DeleteBond::particle_id, BondBreakage::DeleteAngleBond::particle_id, REVERT_BIND_AT_POINT_OF_COLLISION, runtimeErrorMsg, and stream.

bond_handler()

static bool BondBreakage::bond_handler ( BondBreakage &  bond_breakage, Particle &  p, std::span< Particle * >  partners, int  bond_id, BoxGeometry const &  box_geo  )

static

Definition at line 209 of file bond_breakage.cpp.

References BoxGeometry::get_mi_vector(), Particle::id(), Particle::pos(), and stream.

Referenced by BondBreakage::BondBreakage::execute_bond_breakage().

gather_global_queue()

static auto BondBreakage::gather_global_queue ( Queue const &  local_queue )

static

Gathers combined queue from all mpi ranks.

Definition at line 59 of file bond_breakage.cpp.

References comm_cart, Utils::Mpi::gather_buffer(), and stream.

remove_bond()

static void BondBreakage::remove_bond ( Particle &  p, BondView const &  view  )

static

Delete specific bond.

Definition at line 142 of file bond_breakage.cpp.

References Particle::bonds(), and stream.

Referenced by BondBreakage::execute::operator()(), BondBreakage::execute::operator()(), and remove_pair_bonds_to().

remove_pair_bonds_to()

static void BondBreakage::remove_pair_bonds_to ( Particle &  p, int  other_pid  )

static

Delete pair bonds to a specific partner.

Definition at line 153 of file bond_breakage.cpp.

References Particle::bonds(), remove_bond(), and stream.

Referenced by BondBreakage::execute::operator()().