Simpatico  v1.10
DpdMove.h
1 #ifndef MCMD_DPD_MOVE_H
2 #define MCMD_DPD_MOVE_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2017, The Regents of the University of Minnesota
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include <mcMd/mcMoves/SystemMove.h> // base class
12 #include <util/containers/DArray.h> // member template
13 #include <util/space/Vector.h> // member template parameter
14 
15 namespace McMd
16 {
17 
18  using namespace Util;
19 
20  class McSystem;
21  class MdSystem;
22 
23 
36  class DpdMove : public SystemMove
37  {
38 
39  public:
40 
46  DpdMove(McSystem& system);
47 
51  ~DpdMove();
52 
56  virtual void readParameters(std::istream& in);
57 
63  virtual void loadParameters(Serializable::IArchive& ar);
64 
70  virtual void save(Serializable::OArchive& ar);
71 
75  virtual void setup();
76 
80  bool move();
81 
82  private:
83 
85  MdSystem *mdSystemPtr_;
86 
88  int nStep_;
89 
90  };
91 
92 }
93 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
DpdMove is a short dissipative particle dynamics (DPD) simulation.
Definition: DpdMove.h:36
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
An McMove that acts on one McSystem.
Definition: SystemMove.h:28
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A System for Molecular Dynamics simulation.
Definition: MdSystem.h:68