ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
Main Page | Namespace List | Class Hierarchy | Alphabetical List | Class List | File List | Namespace Members | Class Members | File Members

ProtoMol::CoulombMultiGridDirectTableForce< TKernel > Class Template Reference

#include <CoulombMultiGridDirectTableForce.h>

Inheritance diagram for ProtoMol::CoulombMultiGridDirectTableForce< TKernel >:

ProtoMol::CoulombMultiGridDirectTableForceBase List of all members.

Public Member Functions

 CoulombMultiGridDirectTableForce ()
 CoulombMultiGridDirectTableForce (Real s, unsigned int n)
 CoulombMultiGridDirectTableForce (CoulombMultiGridDirectTableForce const &other)
CoulombMultiGridDirectTableForce & operator= (CoulombMultiGridDirectTableForce const &other)
 ~CoulombMultiGridDirectTableForce ()
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 > &parameters) const

Static Public Member Functions

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

Private Types

enum  { DEFAULT__SIZE = 20000 }

Private Attributes

Real * myTable
Real myS
Real myRS
Real myFac
unsigned int myN

template<class TKernel>
class ProtoMol::CoulombMultiGridDirectTableForce< TKernel >

Member Enumeration Documentation

template<class TKernel>
anonymous enum [private]
 

Enumeration values:
DEFAULT__SIZE 

Constructor & Destructor Documentation

template<class TKernel>
ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::CoulombMultiGridDirectTableForce (   )  [inline]
 

template<class TKernel>
ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::CoulombMultiGridDirectTableForce (  Real  s,
unsigned int  n
)  [inline]
 

template<class TKernel>
ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::CoulombMultiGridDirectTableForce (  CoulombMultiGridDirectTableForce< TKernel > const &  other  )  [inline]
 

template<class TKernel>
ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::~CoulombMultiGridDirectTableForce (   )  [inline]
 

Member Function Documentation

template<class TKernel>
void ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::accumulateEnergy (  ScalarStructure *  energies,
Real  energy
)  [inline, static]
 

template<class TKernel>
Real ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::getEnergy (  const ScalarStructure *  energies  )  [inline, static]
 

template<class TKernel>
std::string ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::getId (   )  [inline, static]
 

template<class TKernel>
void ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::getParameters (  std::vector< Parameter > &  parameters  )  const [inline]
 

template<class TKernel>
unsigned int ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::getParameterSize (   )  [inline, static]
 

template<class TKernel>
CoulombMultiGridDirectTableForce ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::make (  std::string &  ,
const std::vector< Value > &  values
)  [inline, static]
 

template<class TKernel>
void ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::operator() (  Real &  energy,
Real &  force,
Real  distSquared,
Real  ,
const Vector3D &  ,
const GenericTopology *  topo,
int  atom1,
int  atom2,
ExclusionClass  excl
)  const [inline]
 

template<class TKernel>
CoulombMultiGridDirectTableForce& ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::operator= (  CoulombMultiGridDirectTableForce< TKernel > const &  other  )  [inline]
 

Member Data Documentation

template<class TKernel>
Real ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::myFac [private]
 

template<class TKernel>
unsigned int ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::myN [private]
 

template<class TKernel>
Real ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::myRS [private]
 

template<class TKernel>
Real ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::myS [private]
 

template<class TKernel>
Real* ProtoMol::CoulombMultiGridDirectTableForce< TKernel >::myTable [private]
 

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