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

Repulsion potential with drag, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ drag is f = -γv in the normal direction. More...

#include <interaction.hpp>

Inheritance diagram for EpsSigExpDragAtom:
AtomID AtomRef

Public Member Functions

 EpsSigExpDragAtom ()
 
 EpsSigExpDragAtom (AtomID a, flt eps, flt sigma, flt gamma, flt exponent=2.5)
 
 EpsSigExpDragAtom (AtomID a, EpsSigExpDragAtom 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

flt eps
 
flt sigma
 
flt exponent
 
flt gamma
 

Detailed Description

Repulsion potential with drag, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ drag is f = -γv in the normal direction.

Constructor & Destructor Documentation

EpsSigExpDragAtom::EpsSigExpDragAtom ( )
inline
EpsSigExpDragAtom::EpsSigExpDragAtom ( AtomID  a,
flt  eps,
flt  sigma,
flt  gamma,
flt  exponent = 2.5 
)
inline
EpsSigExpDragAtom::EpsSigExpDragAtom ( AtomID  a,
EpsSigExpDragAtom  other 
)
inline

Member Function Documentation

flt EpsSigExpDragAtom::max_size ( )
inline

Member Data Documentation

flt EpsSigExpDragAtom::eps
flt EpsSigExpDragAtom::exponent
flt EpsSigExpDragAtom::gamma
flt EpsSigExpDragAtom::sigma

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