ParM  parm
A molecular dynamics library
Public Member Functions | Public Attributes | List of all members
ISFTracker1 Class Reference

#include <constraints.hpp>

Public Member Functions

 ISFTracker1 (AtomGroup &atoms, unsigned long skip, vector< flt > ks, Vec com)
void reset (AtomGroup &atoms, Vec com)
bool update (Box &box, AtomGroup &atoms, unsigned long t, Vec com)
vector< vector< cmplx > > ISFs ()
vector< vector< array< cmplx, NDIM > > > ISFxyz ()
unsigned long get_skip ()
unsigned long get_count ()

Public Attributes

Eigen::Matrix< flt, Eigen::Dynamic, NDIMpastlocs
vector< vector< array< cmplx, NDIM > > > ISFsums
vector< fltks
unsigned long skip
unsigned long count

Constructor & Destructor Documentation

ISFTracker1::ISFTracker1 ( AtomGroup atoms,
unsigned long  skip,
vector< flt ks,
Vec  com 

Member Function Documentation

unsigned long ISFTracker1::get_count ( )
unsigned long ISFTracker1::get_skip ( )
vector< vector< cmplx > > ISFTracker1::ISFs ( )
vector< vector< array< cmplx, NDIM > > > ISFTracker1::ISFxyz ( )
void ISFTracker1::reset ( AtomGroup atoms,
Vec  com 
bool ISFTracker1::update ( Box box,
AtomGroup atoms,
unsigned long  t,
Vec  com 

Member Data Documentation

unsigned long ISFTracker1::count
vector<vector<array<cmplx, NDIM> > > ISFTracker1::ISFsums
vector<flt> ISFTracker1::ks
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> ISFTracker1::pastlocs
unsigned long ISFTracker1::skip

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