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

#include <interaction.hpp>

Inheritance diagram for IEpsISigExpAtom:
AtomID AtomRef

Public Member Functions

 IEpsISigExpAtom ()
 
 IEpsISigExpAtom (AtomID a, vector< flt > epsilons, vector< flt > sigmas, uint indx, flt exponent=2.5)
 
 IEpsISigExpAtom (AtomID a, IEpsISigCutAtom other)
 
flt get_epsilon (IEpsISigExpAtom &other)
 
flt get_sigma (IEpsISigExpAtom &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
 
vector< fltsigmas
 
flt exponent
 
uint indx
 

Constructor & Destructor Documentation

IEpsISigExpAtom::IEpsISigExpAtom ( )
inline
IEpsISigExpAtom::IEpsISigExpAtom ( AtomID  a,
vector< flt epsilons,
vector< flt sigmas,
uint  indx,
flt  exponent = 2.5 
)
inline
IEpsISigExpAtom::IEpsISigExpAtom ( AtomID  a,
IEpsISigCutAtom  other 
)
inline

Member Function Documentation

flt IEpsISigExpAtom::get_epsilon ( IEpsISigExpAtom other)
inline
flt IEpsISigExpAtom::get_sigma ( IEpsISigExpAtom other)
inline
flt IEpsISigExpAtom::max_size ( )
inline

Member Data Documentation

vector<flt> IEpsISigExpAtom::epsilons
flt IEpsISigExpAtom::exponent
uint IEpsISigExpAtom::indx
vector<flt> IEpsISigExpAtom::sigmas

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