#include <collection.hpp>

Inheritance diagram for CollectionCDgrid:

Public Member Functions
void	reset_events (bool force=true)

void	line_advance (flt deltat)

Event	next_event (AtomID a)

	CollectionCDgrid (sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, vector< flt > sizes=vector< flt >(), vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >())

void	update_grid (bool force=true)

Grid &	get_grid ()

flt	get_epsilon ()

void	set_epsilon (flt eps)

void	reset_velocities (flt T)

bool	take_step (flt tlim=-1)

void	timestep ()
	Take one step forward in time. More...

long long	events_processed ()

Public Member Functions inherited from Collection
	Collection (sptr< Box > box, sptr< AtomGroup > atoms, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >(), bool should_initialize=true)

virtual void	initialize ()

virtual void	set_forces (bool constraints_and_a=true)
	Set forces. More...

flt	degrees_of_freedom ()
	Total degrees of freedom. More...

flt	potential_energy ()

flt	energy ()
	Total energy, including both potential and kinetic_energy. More...

virtual flt	temp (bool minuscomv=true)

virtual flt	kinetic_energy ()

virtual flt	virial ()

virtual flt	pressure ()
	Returns (1/d V) Σ ri dot fi where d is number of dimensions note that Interaction->pressure just returns Σ ri dot fi. More...

sptr< Box >	get_box ()

Vec	com ()

Vec	com_velocity ()

Vec	angular_momentum (const Vec &loc)
	Shortcut to `AtomGroup` method of the same name. More...

Vec	angular_momentum ()
	Shortcut to `AtomGroup` method of the same name. More...

flt	gyradius ()

virtual	~Collection ()

void	reset_com_velocity ()
	Shortcut to `AtomGroup` method of the same name. More...

void	reset_L ()
	Shortcut to `AtomGroup` method of the same name. More...

void	scale_velocities (flt scaleby)
	Scale all velocities by a factor. More...

void	scale_velocities_to_temp (flt T, bool minuscomv=true)
	Scale all velocities to get to a specific temperature. More...

void	scale_velocities_to_energy (flt E)
	Scale all velocities to get to a specific total energy. More...

void	add_interaction (sptr< Interaction > inter)

void	add_tracker (sptr< StateTracker > track)

void	add_constraint (sptr< Constraint > c)

void	add (sptr< Interaction > a)

void	add (sptr< StateTracker > a)

void	add (sptr< Constraint > a)

vector< sptr< Interaction > >	get_interactions ()

Public Attributes
flt	dt

flt	curt

long long	numevents

set< Event >	events

vector< flt >	atomsizes

flt	edge_epsilon
	diameters More...

Grid	grid

flt	gridt

Additional Inherited Members
Protected Member Functions inherited from Collection
void	update_trackers ()
	To be called immediately after setting particle positions and velocities; lets `StateTracker` instances stay updated automatically. More...

void	update_constraint_positions ()
	To be called approximately after forces have been set. More...

void	update_constraint_velocities ()

void	update_constraint_forces ()

virtual flt	set_forces_get_pressure (bool constraints_and_a=true)

Protected Attributes inherited from Collection
sptr< Box >	box

sptr< AtomGroup >	atoms

vector< sptr< Interaction > >	interactions

vector< sptr< StateTracker > >	trackers

vector< sptr< Constraint > >	constraints

Constructor & Destructor Documentation

CollectionCDgrid::CollectionCDgrid	(	sptr< OriginBox >	box,
		sptr< AtomGroup >	atoms,
		const flt	dt,
		vector< flt >	sizes = `vector<flt>()`,
		vector< sptr< Interaction > >	interactions = `vector<sptr<Interaction> >()`,
		vector< sptr< StateTracker > >	trackers = `vector<sptr<StateTracker> >()`,
		vector< sptr< Constraint > >	constraints = `vector<sptr<Constraint> >()`
	)

inline

Member Function Documentation

long long CollectionCDgrid::events_processed ( )

inline

flt CollectionCDgrid::get_epsilon ( )

inline

Grid& CollectionCDgrid::get_grid ( )

inline

void CollectionCDgrid::line_advance ( flt deltat )

Event CollectionCDgrid::next_event ( AtomID a )

void CollectionCDgrid::reset_events ( bool force = true )

void CollectionCDgrid::reset_velocities ( flt T )

void CollectionCDgrid::set_epsilon ( flt eps )

inline

bool CollectionCDgrid::take_step ( flt tlim = -1 )

void CollectionCDgrid::timestep ( )

virtual

Take one step forward in time.

Implements Collection.

Reimplemented in CollectionCDBDgrid.

void CollectionCDgrid::update_grid ( bool force = true )

Member Data Documentation

vector<flt> CollectionCDgrid::atomsizes

flt CollectionCDgrid::curt

flt CollectionCDgrid::dt

flt CollectionCDgrid::edge_epsilon

diameters

set<Event> CollectionCDgrid::events

Grid CollectionCDgrid::grid

flt CollectionCDgrid::gridt

long long CollectionCDgrid::numevents

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

src/collection.hpp
src/collection.cpp

Public Member Functions

Public Attributes

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation