Simpatico  v1.10
CfbRebridgeMove.h
1 #ifndef MCMD_CFB_REBRIDGE_MOVE_H
2 #define MCMD_CFB_REBRIDGE_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/base/CfbRebridgeBase.h> // base class
12 #include <util/containers/DArray.h> // member template
13 #include <util/space/Vector.h> // member template parameter
14 
15 namespace Simp {
16  class Linear;
17 }
18 
19 namespace McMd
20 {
21 
22  using namespace Util;
23  using namespace Simp;
24 
25  class McSystem;
26 
35  {
36 
37  public:
38 
42  CfbRebridgeMove(McSystem& system);
43 
47  virtual void readParameters(std::istream& in);
48 
54  virtual void loadParameters(Serializable::IArchive &ar);
55 
61  virtual void save(Serializable::OArchive &ar);
62 
66  virtual bool move();
67 
68  protected:
69 
72 
75 
77  int nRegrow_;
78 
79  };
80 
81 }
82 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
Classes used by all simpatico molecular simulations.
Base class configuration bias moves internal segment regrowth moves.
Saving / output archive for binary ostream.
int speciesId_
Integer index for molecular species.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Dynamically allocatable contiguous array template.
Definition: DArray.h:31
Saving archive for binary istream.
int nRegrow_
Number of particles at end to attempt to regrow.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Config-bias move for internal segment of a flexible linear polymer.
DArray< Vector > oldPos_
Array of old positions of temporarily deleted atoms.