Line data    Source code

       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              : 
      11              : namespace coupling {
      12              : template <class LinkedCell, unsigned int dim> class MomentumInsertion;
      13              : }
      14              : 
      15              : /** @brief used to manipulate the momentum/ velocity of the molecules contained
      16              :  * in a coupling cell.
      17              :  *  @author Philipp Neumann
      18              :  *  @tparam LinkedCell the LinkedCell class is given by the implementation of
      19              :  * linked cells in the molecular dynamics simulation
      20              :  *  @tparam dim  refers to the spacial dimension of the simulation, can be 1, 2,
      21              :  * or 3
      22              :  */
      23              : template <class LinkedCell, unsigned int dim> class coupling::MomentumInsertion {
      24              : public:
      25              :   /** @brief a simple constructor
      26              :    *  @param mdSolverInterface interface to the md solver*/
      27            4 :   MomentumInsertion(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface) : _mdSolverInterface(mdSolverInterface) {}
      28              :   /** @brief a simple destructor*/
      29            0 :   virtual ~MomentumInsertion() {}
      30              : 
      31              :   /** @brief returns the number of MD steps between subsequent momentum
      32              :    * insertions
      33              :    *  @returns the time step interval for momentum insertion */
      34              :   virtual unsigned int getTimeIntervalPerMomentumInsertion() const = 0;
      35              : 
      36              :   /** This method does not conserve the kinetic energy of the respective
      37              :    * coupling cell. To conserve the energy as well, see the description of
      38              :    * MomentumController on details how to do that.
      39              :    *  @brief inserts a fraction from the momentum of the coupling cell and
      40              :    * distributes is over all molecules.
      41              :    *  @param cell the coupling cell to insert the momentum
      42              :    *  @param fraction the fraction of momentum to use */
      43              :   virtual void insertMomentum(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 idx) const = 0;
      44              : 
      45              :   /** Used to activate / deactivate momentum insertion also on inner cell layers */
      46              :   virtual void setInnerImposition(bool enable) = 0;
      47              : 
      48              : protected:
      49              :   /** interface to the md solver */
      50              :   coupling::interface::MDSolverInterface<LinkedCell, dim>* const _mdSolverInterface;
      51              : };
      52              : 
      53              : #endif // _MOLECULARDYNAMICS_COUPLING_MOMENTUMINSERTION_H_