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

#include <SystemForce.h>

Inheritance diagram for ProtoMol::SystemForce:

ProtoMol::Force ProtoMol::Makeable ProtoMol::AngleSystemForce< TBoundaryConditions > ProtoMol::BondSystemForce< TBoundaryConditions > ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint > ProtoMol::ExternalGravitationSystemForce ProtoMol::HapticSystemForce ProtoMol::iSGAngleSystemForce< TBoundaryConditions > ProtoMol::iSGBondSystemForce< TBoundaryConditions > ProtoMol::iSGMTorsionSystemForce< TBoundaryConditions > ProtoMol::iSGNonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction > ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction > ProtoMol::MagneticDipoleMirrorSystemForce< TBoundaryConditions > ProtoMol::MTorsionSystemForce< TBoundaryConditions > ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, SystemForce, NonbondedCutoffSystemForce< TCellManager, TOneAtomPair > > ProtoMol::NonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction > ProtoMol::NonbondedFullSystemForce< TOneAtomPair > ProtoMol::NonbondedMultiGridSystemForce< TBoundaryConditions, TCellManager, TInterpolation, TKernel, direct, correction, smooth > ProtoMol::NonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction > ProtoMol::NonbondedSimpleFullSystemForce< TOneAtomPair > ProtoMol::SphericalSystemForce ProtoMol::SystemCompareForce ProtoMol::SystemTimeForce List of all members.

Public Member Functions

 SystemForce ()
virtual ~SystemForce ()
virtual void evaluate (const GenericTopology *topo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies)=0
virtual void parallelEvaluate (const GenericTopology *topo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies)
virtual CompareForce * makeCompareForce (Force *actualForce, CompareForce *compareForce) const
virtual TimeForce * makeTimeForce (Force *actualForce) const
virtual void addToForceGroup (ForceGroup *forceGroup)

Constructor & Destructor Documentation

ProtoMol::SystemForce::SystemForce (   )  [inline]
 

virtual ProtoMol::SystemForce::~SystemForce (   )  [inline, virtual]
 

Member Function Documentation

void ProtoMol::SystemForce::addToForceGroup (  ForceGroup *  forceGroup  )  [virtual]
 

Implements ProtoMol::Force.

virtual void ProtoMol::SystemForce::evaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
ScalarStructure *  energies
)  [pure virtual]
 

Implemented in ProtoMol::AngleSystemForce< TBoundaryConditions >, ProtoMol::BondSystemForce< TBoundaryConditions >, ProtoMol::DihedralSystemForce< TBoundaryConditions >, ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >, ProtoMol::ExternalGravitationSystemForce, ProtoMol::HarmDihedralSystemForce< TBoundaryConditions >, ProtoMol::ImproperSystemForce< TBoundaryConditions >, ProtoMol::MagneticDipoleMirrorSystemForce< TBoundaryConditions >, ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >, ProtoMol::NonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >, ProtoMol::NonbondedFullSystemForce< TOneAtomPair >, ProtoMol::NonbondedMultiGridSystemForce< TBoundaryConditions, TCellManager, TInterpolation, TKernel, direct, correction, smooth >, ProtoMol::NonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >, ProtoMol::NonbondedSimpleFullSystemForce< TOneAtomPair >, ProtoMol::SphericalSystemForce, ProtoMol::SystemCompareForce, ProtoMol::SystemTimeForce, ProtoMol::HapticSystemForce, ProtoMol::iSGAngleSystemForce< TBoundaryConditions >, ProtoMol::iSGBondSystemForce< TBoundaryConditions >, ProtoMol::iSGDihedralSystemForce< TBoundaryConditions >, ProtoMol::iSGImproperSystemForce< TBoundaryConditions >, ProtoMol::iSGNonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >, and ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >.

CompareForce * ProtoMol::SystemForce::makeCompareForce (  Force *  actualForce,
CompareForce *  compareForce
)  const [virtual]
 

Reimplemented from ProtoMol::Force.

TimeForce * ProtoMol::SystemForce::makeTimeForce (  Force *  actualForce  )  const [virtual]
 

Reimplemented from ProtoMol::Force.

void ProtoMol::SystemForce::parallelEvaluate (  const GenericTopology *  topo,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
ScalarStructure *  energies
)  [inline, virtual]
 

Reimplemented in ProtoMol::AngleSystemForce< TBoundaryConditions >, ProtoMol::BondSystemForce< TBoundaryConditions >, ProtoMol::DihedralSystemForce< TBoundaryConditions >, ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >, ProtoMol::ExternalGravitationSystemForce, ProtoMol::HarmDihedralSystemForce< TBoundaryConditions >, ProtoMol::ImproperSystemForce< TBoundaryConditions >, ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >, ProtoMol::NonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >, ProtoMol::NonbondedFullSystemForce< TOneAtomPair >, ProtoMol::NonbondedMultiGridSystemForce< TBoundaryConditions, TCellManager, TInterpolation, TKernel, direct, correction, smooth >, ProtoMol::NonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >, ProtoMol::NonbondedSimpleFullSystemForce< TOneAtomPair >, ProtoMol::SphericalSystemForce, ProtoMol::SystemCompareForce, ProtoMol::SystemTimeForce, ProtoMol::iSGAngleSystemForce< TBoundaryConditions >, ProtoMol::iSGBondSystemForce< TBoundaryConditions >, ProtoMol::iSGDihedralSystemForce< TBoundaryConditions >, ProtoMol::iSGImproperSystemForce< TBoundaryConditions >, ProtoMol::iSGNonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >, and ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >.

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.