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

#include <interaction.hpp>

Inheritance diagram for IEpsRepsSigExpCutAtom:
AtomID AtomRef

Public Member Functions

 IEpsRepsSigExpCutAtom ()
 IEpsRepsSigExpCutAtom (AtomID a, vector< flt > epsilons, flt repeps, flt sigma, flt n, uint indx, flt cut)
 IEpsRepsSigExpCutAtom (AtomID a, IEpsRepsSigExpCutAtom other)
flt get_epsilon (IEpsRepsSigExpCutAtom &other)
flt get_sigma (IEpsRepsSigExpCutAtom &other)
flt max_size ()
- Public Member Functions inherited from AtomID
 AtomID ()
 Constructor not recommended: uses UINT_MAX for number, i.e. unknown. More...
 AtomID (Atom *a, uint n)
 Recommended constructor. More...
uint n () const
- Public Member Functions inherited from AtomRef
 AtomRef ()
 AtomRef (Atom *a)
Atomoperator* () const
Atomoperator-> () const
bool operator== (const AtomRef &other) const
bool operator== (const Atom *other) const
bool operator!= (const AtomRef &other) const
bool operator< (const AtomRef &other) const
bool operator<= (const AtomRef &other) const
bool operator>= (const AtomRef &other) const
bool operator> (const AtomRef &other) const
bool is_null ()

Public Attributes

vector< fltepsilons
flt repeps
flt sigma
flt exponent
uint indx
flt sigcut

Constructor & Destructor Documentation

IEpsRepsSigExpCutAtom::IEpsRepsSigExpCutAtom ( )
IEpsRepsSigExpCutAtom::IEpsRepsSigExpCutAtom ( AtomID  a,
vector< flt epsilons,
flt  repeps,
flt  sigma,
flt  n,
uint  indx,
flt  cut 
IEpsRepsSigExpCutAtom::IEpsRepsSigExpCutAtom ( AtomID  a,
IEpsRepsSigExpCutAtom  other 

Member Function Documentation

flt IEpsRepsSigExpCutAtom::get_epsilon ( IEpsRepsSigExpCutAtom other)
flt IEpsRepsSigExpCutAtom::get_sigma ( IEpsRepsSigExpCutAtom other)
flt IEpsRepsSigExpCutAtom::max_size ( )

Member Data Documentation

vector<flt> IEpsRepsSigExpCutAtom::epsilons
flt IEpsRepsSigExpCutAtom::exponent
uint IEpsRepsSigExpCutAtom::indx
flt IEpsRepsSigExpCutAtom::repeps
flt IEpsRepsSigExpCutAtom::sigcut
flt IEpsRepsSigExpCutAtom::sigma

The documentation for this struct was generated from the following file: