ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > Class Template Reference

#include <NonbondedCutoffMollyForce.h>

Inheritance diagram for ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >:

ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, MollyForce, NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > > ProtoMol::MollyForce ProtoMol::NonbondedCutoffForceBase ProtoMol::Force ProtoMol::Makeable List of all members.

Public Member Functions

 NonbondedCutoffMollyForce ()
 NonbondedCutoffMollyForce (Real cutoff, TOneAtomPair oneAtomPair)
virtual void evaluate (const GenericTopology *topo, const Vector3DBlock *positions, std::vector< ReducedHessAngle > *angleFilter)
virtual void parallelEvaluate (const GenericTopology *topo, const Vector3DBlock *positions, std::vector< ReducedHessAngle > *angleFilter)

Private Types

typedef TOneAtomPair::BoundaryConditions BoundaryConditions
typedef Topology< BoundaryConditions,
TCellManager > 		RealTopologyType
typedef RealTopologyType::Enumerator EnumeratorType
typedef RealTopologyType::Enumerator::CellPair CellPairType

template<class TCellManager, class TOneAtomPair>
class ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >

Member Typedef Documentation

template<class TCellManager, class TOneAtomPair>
typedef TOneAtomPair::BoundaryConditions ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::BoundaryConditions [private]
 

Reimplemented from ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, MollyForce, NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > >.

template<class TCellManager, class TOneAtomPair>
typedef RealTopologyType::Enumerator::CellPair ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::CellPairType [private]
 

Reimplemented from ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, MollyForce, NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > >.

template<class TCellManager, class TOneAtomPair>
typedef RealTopologyType::Enumerator ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::EnumeratorType [private]
 

Reimplemented from ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, MollyForce, NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > >.

template<class TCellManager, class TOneAtomPair>
typedef Topology<BoundaryConditions, TCellManager> ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::RealTopologyType [private]
 

Reimplemented from ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, MollyForce, NonbondedCutoffMollyForce< TCellManager, TOneAtomPair > >.

Constructor & Destructor Documentation

template<class TCellManager, class TOneAtomPair>
ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::NonbondedCutoffMollyForce (   )  [inline]
 

template<class TCellManager, class TOneAtomPair>
ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::NonbondedCutoffMollyForce (  Real  cutoff,
TOneAtomPair  oneAtomPair
)  [inline]
 

Member Function Documentation

template<class TCellManager, class TOneAtomPair>
void ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::evaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
std::vector< ReducedHessAngle > *  angleFilter
)  [virtual]
 

Implements ProtoMol::MollyForce.

template<class TCellManager, class TOneAtomPair>
void ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >::parallelEvaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
std::vector< ReducedHessAngle > *  angleFilter
)  [virtual]
 

Reimplemented from ProtoMol::MollyForce.

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.