Simpatico  v1.10
CfbLinearEndMove.h
1 #ifndef MCMD_CFB_LINEAR_END_MOVE_H
2 #define MCMD_CFB_LINEAR_END_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/linear/CfbLinear.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 Linear;
22 
33  class CfbLinearEndMove : public CfbLinear
34  {
35 
36  public:
37 
41  CfbLinearEndMove(McSystem& system);
42 
46  virtual void readParameters(std::istream& in);
47 
53  virtual void loadParameters(Serializable::IArchive& ar);
54 
60  virtual void save(Serializable::OArchive& ar);
61 
65  virtual bool move();
66 
67  protected:
68 
71 
73  int nRegrow_;
74 
76  // friend class CbEndMoveTest;
77 
78  };
79 
80 }
81 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
int nRegrow_
Number of particles at end to attempt to regrow.
DArray< Vector > oldPos_
Array of old positions of temporarily deleted atoms (temporary).
Configuration bias end regrowth move for flexible linear chains.
Base class for configuration bias (CFB) end regrowth moves.
Definition: CfbLinear.h:39
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Dynamically allocatable contiguous array template.
Definition: DArray.h:31
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).