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_SETGIVENVELOCITY4MOMENTUMINSERTION_H_
       6             : #define _MOLECULARDYNAMICS_COUPLING_SETGIVENVELOCITY4MOMENTUMINSERTION_H_
       7             : 
       8             : #include "coupling/MomentumInsertion.h"
       9             : #include "coupling/cell-mappings/ComputeMassMapping.h"
      10             : #include "coupling/cell-mappings/ComputeMomentumMapping.h"
      11             : #include "coupling/cell-mappings/SetMomentumMapping.h"
      12             : #include "coupling/interface/MDSolverInterface.h"
      13             : 
      14             : namespace coupling {
      15             : template <class LinkedCell, unsigned int dim> class SetGivenVelocity4MomentumInsertion;
      16             : }
      17             : 
      18             : /** interpretes the microscopicMomentum-buffer as velocity and sets this value
      19             :  * in the respective coupling cell.
      20             :  *  @author Philipp Neumann
      21             :  *  @tparam LinkedCell the LinkedCell class is given by the implementation of
      22             :  * linked cells in the molecular dynamics simulation
      23             :  *  @tparam dim  refers to the spacial dimension of the simulation, can be 1, 2,
      24             :  * or 3  */
      25             : template <class LinkedCell, unsigned int dim> class coupling::SetGivenVelocity4MomentumInsertion : public coupling::MomentumInsertion<LinkedCell, dim> {
      26             : public:
      27             :   /** @brief a simple constructor
      28             :    *  @param mdSolverInterface interface for the md solver */
      29           0 :   SetGivenVelocity4MomentumInsertion(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface)
      30           0 :       : coupling::MomentumInsertion<LinkedCell, dim>(mdSolverInterface) {}
      31             : 
      32             :   /** @brief a simple destructor */
      33           0 :   virtual ~SetGivenVelocity4MomentumInsertion() {}
      34             : 
      35             :   /** @brief returns 1, since momentum insertions will be applied in every md
      36             :    * timestep
      37             :    *  @returns the time step interval for momentum insertion */
      38           0 :   unsigned int getTimeIntervalPerMomentumInsertion() const override { return 1; }
      39             : 
      40             :   /** This method does not conserve the kinetic energy of the respective
      41             :    * coupling cell. To conserve the energy as well, see the description of
      42             :    * MomentumController on details how to do that.
      43             :    *  @brief updates the momentum based on the microscopic momentum
      44             :    *  @param cell coupling cell
      45             :    */
      46           0 :   void insertMomentum(coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>& cell, I02 idx) const override {
      47           0 :     coupling::cellmappings::ComputeMassMapping<LinkedCell, dim> massMapping(coupling::MomentumInsertion<LinkedCell, dim>::_mdSolverInterface);
      48           0 :     coupling::cellmappings::ComputeMomentumMapping<LinkedCell, dim> momentumMapping(coupling::MomentumInsertion<LinkedCell, dim>::_mdSolverInterface);
      49             : 
      50             :     // old and new momentum
      51           0 :     tarch::la::Vector<dim, double> oldMomentum(0.0);
      52           0 :     tarch::la::Vector<dim, double> newMomentum(0.0);
      53           0 :     unsigned int particleCounter = 0;
      54             : 
      55           0 :     cell.iterateConstCells(massMapping);
      56           0 :     cell.iterateConstCells(momentumMapping);
      57             :     // set old momentum
      58           0 :     oldMomentum = momentumMapping.getMomentum();
      59             :     // set new momentum (only number of particles is missing)
      60           0 :     newMomentum = massMapping.getMass() * cell.getMicroscopicMomentum();
      61           0 :     particleCounter = massMapping.getNumberOfParticles();
      62             : 
      63             :     // set new momentum (based on velocity stored in microscopic
      64             :     // momentum-buffer)
      65           0 :     coupling::cellmappings::SetMomentumMapping<LinkedCell, dim> setMomentumMapping(oldMomentum, newMomentum, particleCounter,
      66           0 :                                                                                    coupling::MomentumInsertion<LinkedCell, dim>::_mdSolverInterface);
      67           0 :     cell.iterateCells(setMomentumMapping);
      68           0 :   }
      69             : };
      70             : #endif // _MOLECULARDYNAMICS_COUPLING_SETGIVENVELOCITY4MOMENTUMINSERTION_H_