ParM  parm
A molecular dynamics library
Public Member Functions | Public Attributes | List of all members
ISFTracker Class Reference

#include <constraints.hpp>

Inheritance diagram for ISFTracker:
StateTracker

Public Member Functions

 ISFTracker (sptr< AtomGroup > atoms, vector< flt > ks, vector< unsigned long > ns, bool usecom=false)
 
void reset ()
 
void update (Box &box)
 This function is called once per timestep, when particles are in their set position. More...
 
vector< vector< vector< array< cmplx, NDIM > > > > ISFxyz ()
 
vector< vector< vector< cmplx > > > ISFs ()
 
vector< fltcounts ()
 
- Public Member Functions inherited from StateTracker
virtual ~StateTracker ()
 

Public Attributes

sptr< AtomGroupatoms
 
vector< ISFTracker1singles
 
unsigned long curt
 
bool usecom
 

Constructor & Destructor Documentation

ISFTracker::ISFTracker ( sptr< AtomGroup atoms,
vector< flt ks,
vector< unsigned long >  ns,
bool  usecom = false 
)

Member Function Documentation

vector< flt > ISFTracker::counts ( )
vector< vector< vector< cmplx > > > ISFTracker::ISFs ( )
vector< vector< vector< array< cmplx, NDIM > > > > ISFTracker::ISFxyz ( )
void ISFTracker::reset ( )
void ISFTracker::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> ISFTracker::atoms
unsigned long ISFTracker::curt
vector<ISFTracker1> ISFTracker::singles
bool ISFTracker::usecom

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