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

#include <BondSystemForce.h>

Inheritance diagram for ProtoMol::BondSystemForce< TBoundaryConditions >:

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

Public Member Functions

void calcBond (const TBoundaryConditions &boundary, const Bond &currentBond, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies)
Real calcBondEnergy (const TBoundaryConditions &boundary, const Bond &currentBond, const Vector3DBlock *positions)
virtual void evaluate (const GenericTopology *topo, const Vector3DBlock *positions, 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

virtual Force * doMake (std::string &, std::vector< Value >) const
virtual void doSetParameters (std::string &, std::vector< Value >)

template<class TBoundaryConditions>
class ProtoMol::BondSystemForce< TBoundaryConditions >

Member Function Documentation

template<class TBoundaryConditions>
void ProtoMol::BondSystemForce< TBoundaryConditions >::calcBond (  const TBoundaryConditions &  boundary,
const Bond &  currentBond,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
ScalarStructure *  energies
)  [inline]
 

template<class TBoundaryConditions>
Real ProtoMol::BondSystemForce< TBoundaryConditions >::calcBondEnergy (  const TBoundaryConditions &  boundary,
const Bond &  currentBond,
const Vector3DBlock *  positions
)  [inline]
 

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

Implements ProtoMol::Force.

template<class TBoundaryConditions>
virtual void ProtoMol::BondSystemForce< TBoundaryConditions >::doSetParameters (  std::string &  ,
std::vector< Value > 
)  [inline, private, virtual]
 

Reimplemented from ProtoMol::Force.

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

Implements ProtoMol::SystemForce.

template<class TBoundaryConditions>
virtual std::string ProtoMol::BondSystemForce< TBoundaryConditions >::getIdNoAlias (   )  const [inline, virtual]
 

Implements ProtoMol::Makeable.

template<class TBoundaryConditions>
virtual std::string ProtoMol::BondSystemForce< TBoundaryConditions >::getKeyword (   )  const [inline, virtual]
 

Implements ProtoMol::Force.

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

retrieve all parameters

Implements ProtoMol::Makeable.

template<class TBoundaryConditions>
virtual unsigned int ProtoMol::BondSystemForce< TBoundaryConditions >::getParameterSize (   )  const [inline, virtual]
 

number of parameters

Implements ProtoMol::Makeable.

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

Reimplemented from ProtoMol::Force.

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

Reimplemented from ProtoMol::SystemForce.

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.