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 ( )
unsigned long RsqTracker1::get_skip ( )
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: