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
TorsionTypetorsionType_
 
std::string name_
 
RealType potential_
 
- Protected Attributes inherited from OpenMD::ShortRangeInteraction
SnapshotManagersnapshotMan_
 
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: