MaMiCo 1.2
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MomentumInsertion.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_MOMENTUMINSERTION_H_
6#define _MOLECULARDYNAMICS_COUPLING_MOMENTUMINSERTION_H_
7
8#include "coupling/datastructures/CouplingCell.h"
9#include "tarch/la/Vector.h"
10
11namespace coupling {
12template <class LinkedCell, unsigned int dim> class MomentumInsertion;
13}
14
23template <class LinkedCell, unsigned int dim> class coupling::MomentumInsertion {
24public:
29 virtual ~MomentumInsertion() {}
30
34 virtual unsigned int getTimeIntervalPerMomentumInsertion() const = 0;
35
44
45protected:
48};
49
50#endif // _MOLECULARDYNAMICS_COUPLING_MOMENTUMINSERTION_H_
used to manipulate the momentum/ velocity of the molecules contained in a coupling cell.
Definition MomentumInsertion.h:23
coupling::interface::MDSolverInterface< LinkedCell, dim > *const _mdSolverInterface
Definition MomentumInsertion.h:47
virtual void insertMomentum(coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 idx) const =0
inserts a fraction from the momentum of the coupling cell and distributes is over all molecules.
virtual ~MomentumInsertion()
a simple destructor
Definition MomentumInsertion.h:29
virtual unsigned int getTimeIntervalPerMomentumInsertion() const =0
returns the number of MD steps between subsequent momentum insertions
MomentumInsertion(coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
a simple constructor
Definition MomentumInsertion.h:27
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
everything necessary for coupling operations, is defined in here
Definition AdditiveMomentumInsertion.h:15