ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint > Class Template Reference

#include <ElectricFieldSystemForce.h>

Inheritance diagram for ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >:

ProtoMol::SystemForce ProtoMol::ElectricFieldSystemForceBase ProtoMol::Force ProtoMol::Makeable List of all members.

Public Member Functions

 ElectricFieldSystemForce ()
 ElectricFieldSystemForce (TSwitchingFunction sF, Vector3D origin, Real e, Real a)
virtual void evaluate (const GenericTopology *topo, const Vector3DBlock *position, Vector3DBlock *forces, ScalarStructure *energies)
virtual void parallelEvaluate (const GenericTopology *topo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies)
virtual std::string getKeyword () const
virtual unsigned int numberOfBlocks (const GenericTopology *topo, const Vector3DBlock *pos)
virtual std::string getIdNoAlias () const
virtual unsigned int getParameterSize () const
virtual void getParameters (std::vector< Parameter > &) const

Private Member Functions

void doEvaluate (const GenericTopology *topo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, int from, int to)
virtual Force * doMake (std::string &, std::vector< Value >) const

Private Attributes

TSwitchingFunction switchingFunction
Vector3D myOrigin
Real myE
Real myA
Real myC
Real mySquaredCutoff

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
class ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >

Constructor & Destructor Documentation

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::ElectricFieldSystemForce (   ) 
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::ElectricFieldSystemForce (  TSwitchingFunction  sF,
Vector3D  origin,
Real  e,
Real  a
) 
 

Member Function Documentation

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
void ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::doEvaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
ScalarStructure *  energies,
int  from,
int  to
)  [inline, private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
Force * ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::doMake (  std::string &  ,
std::vector< Value > 
)  const [inline, private, virtual]
 

Implements ProtoMol::Force.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
void ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::evaluate (  const GenericTopology *  topo,
const Vector3DBlock *  position,
Vector3DBlock *  forces,
ScalarStructure *  energies
)  [inline, virtual]
 

Implements ProtoMol::SystemForce.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
virtual std::string ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::getIdNoAlias (   )  const [inline, virtual]
 

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
virtual std::string ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::getKeyword (   )  const [inline, virtual]
 

Implements ProtoMol::Force.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
void ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::getParameters (  std::vector< Parameter > &   )  const [inline, virtual]
 

retrieve all parameters

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
virtual unsigned int ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::getParameterSize (   )  const [inline, virtual]
 

number of parameters

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
unsigned int ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::numberOfBlocks (  const GenericTopology *  topo,
const Vector3DBlock *  pos
)  [inline, virtual]
 

Reimplemented from ProtoMol::Force.

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint>
void ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::parallelEvaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
ScalarStructure *  energies
)  [inline, virtual]
 

Reimplemented from ProtoMol::SystemForce.

Member Data Documentation

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
Real ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::myA [private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
Real ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::myC [private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
Real ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::myE [private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
Vector3D ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::myOrigin [private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
Real ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::mySquaredCutoff [private]
 

template<class TBoundaryConditions, class TSwitchingFunction, class TConstraint = NoConstraint>
TSwitchingFunction ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >::switchingFunction [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.