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

#include <constraints.hpp>

Inheritance diagram for RDiffs:
StateTracker

Public Member Functions

 RDiffs (sptr< AtomGroup > atoms, unsigned long skip, 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< flt > > rdiffs ()
 
unsigned long get_skip ()
 
- Public Member Functions inherited from StateTracker
virtual ~StateTracker ()
 

Public Attributes

sptr< AtomGroupatoms
 
Eigen::Matrix< flt, Eigen::Dynamic, NDIMpastlocs
 
vector< vector< flt > > dists
 
unsigned long skip
 
unsigned long curt
 
bool usecom
 

Constructor & Destructor Documentation

RDiffs::RDiffs ( sptr< AtomGroup atoms,
unsigned long  skip,
bool  usecom = false 
)

Member Function Documentation

unsigned long RDiffs::get_skip ( )
inline
vector<vector<flt> > RDiffs::rdiffs ( )
inline
void RDiffs::reset ( )
void RDiffs::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> RDiffs::atoms
unsigned long RDiffs::curt
vector<vector<flt> > RDiffs::dists
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> RDiffs::pastlocs
unsigned long RDiffs::skip
bool RDiffs::usecom

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