ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::LennardJonesTableForce Class Reference

#include <LennardJonesTableForce.h>

List of all members.

Public Member Functions

 LennardJonesTableForce ()
 LennardJonesTableForce (Real rc, unsigned int n)
 LennardJonesTableForce (LennardJonesTableForce const &other)
LennardJonesTableForce & operator= (LennardJonesTableForce const &other)
 ~LennardJonesTableForce ()
void operator() (Real &energy, Real &force, Real distSquared, Real, const Vector3D &, const GenericTopology *topo, int atom1, int atom2, ExclusionClass excl) const
void getParameters (std::vector< Parameter > &) const

Static Public Member Functions

void accumulateEnergy (ScalarStructure *energies, Real energy)
Real getEnergy (const ScalarStructure *energies)
std::string getId ()
unsigned int getParameterSize ()
LennardJonesTableForce make (std::string &, const std::vector< Value > &)

Static Public Attributes

const std::string keyword

Private Types

enum  { DEFAULT_TABLE_SIZE = 20000 }

Private Attributes

Real * myTable
Real myRc
Real myFac
unsigned int myN

Member Enumeration Documentation

anonymous enum [private]
 

Enumeration values:
DEFAULT_TABLE_SIZE 

Constructor & Destructor Documentation

ProtoMol::LennardJonesTableForce::LennardJonesTableForce (   ) 
 

ProtoMol::LennardJonesTableForce::LennardJonesTableForce (  Real  rc,
unsigned int  n
) 
 

ProtoMol::LennardJonesTableForce::LennardJonesTableForce (  LennardJonesTableForce const &  other  ) 
 

ProtoMol::LennardJonesTableForce::~LennardJonesTableForce (   ) 
 

Member Function Documentation

void ProtoMol::LennardJonesTableForce::accumulateEnergy (  ScalarStructure *  energies,
Real  energy
)  [inline, static]
 

Real ProtoMol::LennardJonesTableForce::getEnergy (  const ScalarStructure *  energies  )  [inline, static]
 

std::string ProtoMol::LennardJonesTableForce::getId (   )  [inline, static]
 

void ProtoMol::LennardJonesTableForce::getParameters (  std::vector< Parameter > &   )  const
 

unsigned int ProtoMol::LennardJonesTableForce::getParameterSize (   )  [inline, static]
 

LennardJonesTableForce ProtoMol::LennardJonesTableForce::make (  std::string &  ,
const std::vector< Value > & 
)  [static]
 

void ProtoMol::LennardJonesTableForce::operator() (  Real &  energy,
Real &  force,
Real  distSquared,
Real  ,
const Vector3D &  ,
const GenericTopology *  topo,
int  atom1,
int  atom2,
ExclusionClass  excl
)  const [inline]
 

LennardJonesTableForce & ProtoMol::LennardJonesTableForce::operator= (  LennardJonesTableForce const &  other  ) 
 

Member Data Documentation

const string ProtoMol::LennardJonesTableForce::keyword [static]
 

Real ProtoMol::LennardJonesTableForce::myFac [private]
 

unsigned int ProtoMol::LennardJonesTableForce::myN [private]
 

Real ProtoMol::LennardJonesTableForce::myRc [private]
 

Real* ProtoMol::LennardJonesTableForce::myTable [private]
 

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.