Simpatico  v1.10
AtomDisplaceMove.h
1 #ifndef MCMD_ATOM_DISPLACE_MOVE_H
2 #define MCMD_ATOM_DISPLACE_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/global.h>
13 
14 namespace McMd
15 {
16 
17  using namespace Util;
18 
19  class McSystem;
20 
28  class AtomDisplaceMove : public SystemMove
29  {
30 
31  public:
32 
36  AtomDisplaceMove(McSystem& system);
37 
41  virtual void readParameters(std::istream& in);
42 
48  virtual void loadParameters(Serializable::IArchive &ar);
49 
55  virtual void save(Serializable::OArchive &ar);
56 
60  virtual bool move();
61 
62  private:
63 
65  double delta_;
66 
68  int speciesId_;
69 
70  };
71 
72 }
73 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
Random displacement of one atom.
File containing preprocessor macros for error handling.
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).