EnergyTracker Class Reference

#include <constraints.hpp>

Inheritance diagram for EnergyTracker:

Public Member Functions
	EnergyTracker (sptr< AtomGroup > atoms, vector< sptr< Interaction > > interactions, uint n_skip=1)
void	update (Box &box)
	This function is called once per timestep, when particles are in their set position. More...
void	reset ()
void	set_U0 (flt newU0)
void	set_U0 (Box &box)
flt	get_U0 ()
flt	E ()
flt	U ()
flt	K ()
flt	E_std ()
flt	K_std ()
flt	U_std ()
flt	E_squared_mean ()
flt	K_squared_mean ()
flt	U_squared_mean ()
uint	n ()
Public Member Functions inherited from StateTracker
virtual	~StateTracker ()

Protected Attributes
sptr< AtomGroup >	atoms
vector< sptr< Interaction > >	interactions
uint	N
uint	n_skip
uint	n_skipped
flt	U0
flt	Es
flt	Us
flt	Ks
flt	Esq
flt	Usq
flt	Ksq

Constructor & Destructor Documentation

EnergyTracker::EnergyTracker ( sptr< AtomGroup >  atoms, vector< sptr< Interaction > >  interactions, uint  n_skip = 1  )

inline

Member Function Documentation

flt EnergyTracker::E ( )

inline

flt EnergyTracker::E_squared_mean ( )

inline

flt EnergyTracker::E_std ( )

inline

flt EnergyTracker::get_U0 ( )

inline

flt EnergyTracker::K ( )

inline

flt EnergyTracker::K_squared_mean ( )

inline

flt EnergyTracker::K_std ( )

inline

uint EnergyTracker::n ( )

inline

void EnergyTracker::reset ( )

inline

void EnergyTracker::set_U0 ( flt  newU0 )

inline

void EnergyTracker::set_U0

(

Box &

box

)

flt EnergyTracker::U ( )

inline

flt EnergyTracker::U_squared_mean ( )

inline

flt EnergyTracker::U_std ( )

inline

void EnergyTracker::update ( Box &  box )

virtual

This function is called once per timestep, when particles are in their set position.

Implements StateTracker.

Member Data Documentation

sptr<AtomGroup> EnergyTracker::atoms

protected

flt EnergyTracker::Es

protected

flt EnergyTracker::Esq

protected

vector<sptr<Interaction> > EnergyTracker::interactions

protected

flt EnergyTracker::Ks

protected

flt EnergyTracker::Ksq

protected

uint EnergyTracker::N

protected

uint EnergyTracker::n_skip

protected

uint EnergyTracker::n_skipped

protected

flt EnergyTracker::U0

protected

flt EnergyTracker::Us

protected

flt EnergyTracker::Usq

protected

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

• src/constraints.hpp
• src/constraints.cpp