Simpatico  v1.10
CfbEndMove.h
1 #ifndef MCMD_CFB_END_MOVE_H
2 #define MCMD_CFB_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/base/CfbEndBase.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 
32  class CfbEndMove : public CfbEndBase
33  {
34 
35  public:
36 
40  CfbEndMove(McSystem& system);
41 
45  virtual void readParameters(std::istream& in);
46 
52  virtual void loadParameters(Serializable::IArchive& ar);
53 
59  virtual void save(Serializable::OArchive& ar);
60 
64  virtual bool move();
65 
66  protected:
67 
70 
73 
75  int nRegrow_;
76 
78  friend class CbEndMoveTest;
79 
80  };
81 
82 }
83 #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.
Definition: CfbEndMove.h:75
Classes used by all simpatico molecular simulations.
DArray< Vector > oldPos_
Array of old positions of temporarily deleted atoms (temporary).
Definition: CfbEndMove.h:69
Saving / output archive for binary ostream.
int speciesId_
Integer index for molecular species.
Definition: CfbEndMove.h:72
Utility classes for scientific computation.
Definition: accumulators.mod:1
Configuration bias end regrowth move for flexible linear chains.
Definition: CfbEndMove.h:32
Dynamically allocatable contiguous array template.
Definition: DArray.h:31
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Base class for configuration bias (CFB) end regrowth moves.
Definition: CfbEndBase.h:31