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

#include <iSGLennardJonesTableForce.h>

List of all members.

Public Member Functions

 iSGLennardJonesTableForce ()
 iSGLennardJonesTableForce (Real rc, unsigned int n, Real myAlpha)
 iSGLennardJonesTableForce (iSGLennardJonesTableForce const &other)
iSGLennardJonesTableForce & operator= (iSGLennardJonesTableForce const &other)
 ~iSGLennardJonesTableForce ()
void operator() (Real &energy, Real &force, Real &deltaMu, 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 deltaMu)
Real getEnergy (const ScalarStructure *energies)
std::string getId ()
unsigned int getParameterSize ()
iSGLennardJonesTableForce 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
Real alpha

Member Enumeration Documentation

anonymous enum [private]
 

Enumeration values:
DEFAULT_TABLE_SIZE 

Constructor & Destructor Documentation

ProtoMol::iSGLennardJonesTableForce::iSGLennardJonesTableForce (   ) 
 

ProtoMol::iSGLennardJonesTableForce::iSGLennardJonesTableForce (  Real  rc,
unsigned int  n,
Real  myAlpha
) 
 

ProtoMol::iSGLennardJonesTableForce::iSGLennardJonesTableForce (  iSGLennardJonesTableForce const &  other  ) 
 

ProtoMol::iSGLennardJonesTableForce::~iSGLennardJonesTableForce (   ) 
 

Member Function Documentation

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

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

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

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

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

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

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

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

Member Data Documentation

Real ProtoMol::iSGLennardJonesTableForce::alpha [private]
 

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

Real ProtoMol::iSGLennardJonesTableForce::myFac [private]
 

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

Real ProtoMol::iSGLennardJonesTableForce::myRc [private]
 

Real* ProtoMol::iSGLennardJonesTableForce::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.