ParM  parm
A molecular dynamics library
Public Member Functions | Public Attributes | List of all members
RsqTracker1 Class Reference

#include <constraints.hpp>

Public Member Functions

 RsqTracker1 (AtomGroup &atoms, unsigned long skip, Vec com)
 
void reset (AtomGroup &atoms, Vec com)
 
bool update (Box &box, AtomGroup &atoms, unsigned long t, Vec com)
 
Eigen::Matrix< flt, Eigen::Dynamic, NDIMxyz2 ()
 
Eigen::Matrix< flt, Eigen::Dynamic, NDIMxyz4 ()
 
vector< fltr4 ()
 
unsigned long get_skip ()
 
unsigned long get_count ()
 

Public Attributes

Eigen::Matrix< flt, Eigen::Dynamic, NDIMpastlocs
 
Eigen::Matrix< flt, Eigen::Dynamic, NDIMxyz2sums
 
Eigen::Matrix< flt, Eigen::Dynamic, NDIMxyz4sums
 
vector< fltr4sums
 
unsigned long skip
 
unsigned long count
 

Constructor & Destructor Documentation

RsqTracker1::RsqTracker1 ( AtomGroup atoms,
unsigned long  skip,
Vec  com 
)

Member Function Documentation

unsigned long RsqTracker1::get_count ( )
inline
unsigned long RsqTracker1::get_skip ( )
inline
vector< flt > RsqTracker1::r4 ( )
void RsqTracker1::reset ( AtomGroup atoms,
Vec  com 
)
bool RsqTracker1::update ( Box box,
AtomGroup atoms,
unsigned long  t,
Vec  com 
)
Eigen::Matrix< flt, Eigen::Dynamic, NDIM > RsqTracker1::xyz2 ( )
Eigen::Matrix< flt, Eigen::Dynamic, NDIM > RsqTracker1::xyz4 ( )

Member Data Documentation

unsigned long RsqTracker1::count
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> RsqTracker1::pastlocs
vector<flt> RsqTracker1::r4sums
unsigned long RsqTracker1::skip
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> RsqTracker1::xyz2sums
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> RsqTracker1::xyz4sums

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