StaticCollec Class Reference

A "static" Collection, that doesn't move. More...

#include <collection.hpp>

Inheritance diagram for StaticCollec:

Public Member Functions
	StaticCollec (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 > >())
virtual void	timestep ()
	Does nothing; a no-op. More...
void	update ()
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 ()

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

Detailed Description

A "static" Collection, that doesn't move.

Constructor & Destructor Documentation

StaticCollec::StaticCollec ( 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> >()  )

inline

Member Function Documentation

virtual void StaticCollec::timestep ( )

inlinevirtual

Does nothing; a no-op.

Implements Collection.

void StaticCollec::update ( )

inline

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

• src/collection.hpp