MaMiCo 1.2
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BoundaryForceController.h
1// Copyright (C) 2015 Technische Universitaet Muenchen
2// This file is part of the Mamico project. For conditions of distribution
3// and use, please see the copyright notice in Mamico's main folder, or at
4// www5.in.tum.de/mamico
5#ifndef _MOLECULARDYNAMICS_COUPLING_BOUNDARYFORCECONTROLLER_H_
6#define _MOLECULARDYNAMICS_COUPLING_BOUNDARYFORCECONTROLLER_H_
7
8#include "coupling/datastructures/CouplingCellWithLinkedCells.h"
9#include "coupling/interface/MDSolverInterface.h"
10
11namespace coupling {
12template <class LinkedCell, unsigned int dim> class BoundaryForceController;
13}
14
54#endif // _MOLECULARDYNAMICS_COUPLING_BOUNDARYFORCECONTROLLER_H_
controller for forces acting at open MD boundaries
Definition BoundaryForceController.h:25
virtual ~BoundaryForceController()
A simple destructor.
Definition BoundaryForceController.h:31
virtual void applyBoundaryForce(coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell)=0
applies the boundary force on a boundary cell
BoundaryForceController(coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
A simple constructor.
Definition BoundaryForceController.h:29
coupling::interface::MDSolverInterface< LinkedCell, dim > *const _mdSolverInterface
interface of the molecular dynamics solver
Definition BoundaryForceController.h:52
virtual double getPotentialEnergy(const tarch::la::Vector< dim, double > &position) const
calculates the potential energy for a given position
Definition BoundaryForceController.h:44
virtual tarch::la::Vector< dim, double > getForce(const tarch::la::Vector< dim, double > &position) const
calculates the boundary force for the given particle position
Definition BoundaryForceController.h:49
defines the cell type with cell-averaged quantities. Derived from the class coupling::datastructures:...
Definition CouplingCellWithLinkedCells.h:26
interface to the MD simulation
Definition MDSolverInterface.h:25
Definition Vector.h:24
everything necessary for coupling operations, is defined in here
Definition AdditiveMomentumInsertion.h:15