Simpatico  v1.10
GcSliplinkMove.h
1 #ifndef GC_SLIPLINKMOVE_H
2 #define GC_SLIPLINKMOVE_H
3 
4 /*
5 * MolMcD - Monte Carlo and Molecular Dynamics Simulator for Molecular Liquids
6 *
7 * Copyright 2010 - 2014, 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 <mcMd/simulation/System.h>
13 #include <mcMd/neighbor/CellList.h>
14 #include <util/global.h>
15 
16 namespace McMd
17 {
18 
19  using namespace Util;
20 
26  class GcSliplinkMove : public SystemMove
27  {
28 
29  public:
30 
32  GcSliplinkMove(McSystem& system);
33 
35  virtual void readParameters(std::istream& in);
36 
38  virtual bool move();
39 
40  private:
41 
43  mutable CellList::NeighborArray neighbors_;
44 
45  double cutoff_;
46 
47  double cutoffSq_;
48 
49  double fCreate_;
50 
51  double fNotCreate_;
52 
53  double mu_;
54 
55  int nTrial_;
56 
57  int speciesId_;
58 
59  };
60 
61 }
62 
63 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
File containing preprocessor macros for error handling.
Utility classes for scientific computation.
Definition: accumulators.mod:1
An McMove that acts on one McSystem.
Definition: SystemMove.h:28
Move to evolve the slip-springs.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).