CollectionCD Class Reference

Collision-Driven Dynamics. More...

#include <collection.hpp>

Inheritance diagram for CollectionCD:

Public Member Functions
	CollectionCD (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	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 ()

Protected Member Functions
void	reset_events ()
	diameters More...
void	line_advance (flt deltat)
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
flt	dt
flt	curt
long long	numevents
set< Event >	events
vector< flt >	atomsizes
Protected Attributes inherited from Collection
sptr< Box >	box
sptr< AtomGroup >	atoms
vector< sptr< Interaction > >	interactions
vector< sptr< StateTracker > >	trackers
vector< sptr< Constraint > >	constraints

Detailed Description

Collision-Driven Dynamics.

Constructor & Destructor Documentation

CollectionCD::CollectionCD ( 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 CollectionCD::events_processed ( )

inline

void CollectionCD::line_advance ( flt  deltat )

protected

void CollectionCD::reset_events ( )

protected

diameters

void CollectionCD::reset_velocities

(

flt

T

)

bool CollectionCD::take_step

(

flt

tlim = -1

)

void CollectionCD::timestep ( )

virtual

Take one step forward in time.

Implements Collection.

Reimplemented in CollectionCDBD.

Member Data Documentation

vector<flt> CollectionCD::atomsizes

protected

flt CollectionCD::curt

protected

flt CollectionCD::dt

protected

set<Event> CollectionCD::events

protected

long long CollectionCD::numevents

protected

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

• src/collection.hpp
• src/collection.cpp