Simpatico  v1.10
EndSwapMove.h
1 #ifndef MCMD_END_SWAP_MOVE_H
2 #define MCMD_END_SWAP_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 
36  class EndSwapMove : public SystemMove
37  {
38 
39  public:
40 
44  EndSwapMove(McSystem& system);
45 
49  virtual void readParameters(std::istream& in);
50 
56  virtual void loadParameters(Serializable::IArchive& ar);
57 
63  virtual void save(Serializable::OArchive& ar);
64 
68  virtual bool move();
69 
70  protected:
71 
74 
77 
80 
81  };
82 
83 }
84 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
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
int speciesId_
Integer index for molecular species.
Definition: EndSwapMove.h:73
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A move that swaps the ends of a linear hetero-polymer.
Definition: EndSwapMove.h:36
DArray< int > atomTypeIds_
Array of atom type indices.
Definition: EndSwapMove.h:76
DArray< Vector > positions_
Array of atomic positions (temporary).
Definition: EndSwapMove.h:79