OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::GhostTorsion Class Reference

#include <GhostTorsion.hpp>

Inheritance diagram for OpenMD::GhostTorsion:
OpenMD::Torsion OpenMD::ShortRangeInteraction

Public Member Functions

 GhostTorsion (Atom *atom1, Atom *atom2, DirectionalAtom *ghostAtom, TorsionType *tt)
virtual void calcForce (RealType &angle, bool doParticlePot)
- Public Member Functions inherited from OpenMD::Torsion
 Torsion (Atom *atom1, Atom *atom2, Atom *atom3, Atom *atom4, TorsionType *tt)
virtual ~Torsion ()
RealType getValue (int snapshotNo)
RealType getPotential ()
AtomgetAtomA ()
AtomgetAtomB ()
AtomgetAtomC ()
AtomgetAtomD ()
TorsionTypegetTorsionType ()
virtual std::string getName ()
virtual void setName (const std::string &name)
void accept (BaseVisitor *v)
- Public Member Functions inherited from OpenMD::ShortRangeInteraction
virtual ~ShortRangeInteraction ()
int getGlobalIndex ()
void setGlobalIndex (int index)
int getLocalIndex ()
void setLocalIndex (int index)
void setSnapshotManager (SnapshotManager *sman)
virtual RealType getPrevValue ()
virtual RealType getValue ()
virtual std::vector< Atom * > getAtoms ()
void addProperty (GenericData *genData)
void removeProperty (const std::string &propName)
void clearProperties ()
std::vector< std::string > getPropertyNames ()
std::vector< GenericData * > getProperties ()
GenericDatagetPropertyByName (const std::string &propName)

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::ShortRangeInteraction
 ShortRangeInteraction ()
 ShortRangeInteraction (const ShortRangeInteraction &sri)
ShortRangeInteractionoperator= (const ShortRangeInteraction &sri)
- Protected Attributes inherited from OpenMD::Torsion
std::string name_
RealType potential_
- Protected Attributes inherited from OpenMD::ShortRangeInteraction
std::vector< Atom * > atoms_
int globalIndex_
int localIndex_

Detailed Description

Definition at line 59 of file GhostTorsion.hpp.

Constructor & Destructor Documentation

◆ GhostTorsion()

OpenMD::GhostTorsion::GhostTorsion ( Atom atom1,
Atom atom2,
DirectionalAtom ghostAtom,
TorsionType tt 

Definition at line 51 of file GhostTorsion.cpp.

Member Function Documentation

◆ calcForce()

The documentation for this class was generated from the following files: