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

#include <CoulombEwaldRealForce.h>

List of all members.

Public Member Functions

 CoulombEwaldRealForce ()
 CoulombEwaldRealForce (Real a)
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 ()
CoulombEwaldRealForce make (std::string &, const std::vector< Value > &)

Static Public Attributes

const std::string keyword

Private Attributes

Real myAlpha
Real myAlphaSquared
Real my2AlphaPI

Constructor & Destructor Documentation

ProtoMol::CoulombEwaldRealForce::CoulombEwaldRealForce (   ) 
 

ProtoMol::CoulombEwaldRealForce::CoulombEwaldRealForce (  Real  a  ) 
 

Member Function Documentation

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

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

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

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

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

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

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

Member Data Documentation

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

Real ProtoMol::CoulombEwaldRealForce::my2AlphaPI [private]
 

Real ProtoMol::CoulombEwaldRealForce::myAlpha [private]
 

Real ProtoMol::CoulombEwaldRealForce::myAlphaSquared [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.