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

#include <MTorsionSystemForce.h>

Inheritance diagram for ProtoMol::MTorsionSystemForce< TBoundaryConditions >:

ProtoMol::SystemForce ProtoMol::Force ProtoMol::Makeable ProtoMol::DihedralSystemForce< TBoundaryConditions > ProtoMol::HarmDihedralSystemForce< TBoundaryConditions > ProtoMol::ImproperSystemForce< TBoundaryConditions > List of all members.

Public Member Functions

void calcTorsion (const TBoundaryConditions &boundary, const Torsion &currentTorsion, const Vector3DBlock *positions, Vector3DBlock *forces, Real &energy, ScalarStructure *energies)
Real calcTorsionEnergy (const TBoundaryConditions &boundary, const Torsion &currentTorsion, const Vector3DBlock *positions)

template<class TBoundaryConditions>
class ProtoMol::MTorsionSystemForce< TBoundaryConditions >

Member Function Documentation

template<class TBoundaryConditions>
void ProtoMol::MTorsionSystemForce< TBoundaryConditions >::calcTorsion (  const TBoundaryConditions &  boundary,
const Torsion &  currentTorsion,
const Vector3DBlock *  positions,
Vector3DBlock *  forces,
Real &  energy,
ScalarStructure *  energies
)  [inline]
 

template<class TBoundaryConditions>
Real ProtoMol::MTorsionSystemForce< TBoundaryConditions >::calcTorsionEnergy (  const TBoundaryConditions &  boundary,
const Torsion &  currentTorsion,
const Vector3DBlock *  positions
)  [inline]
 

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.