Simpatico  v1.10
DeformCommand.h
1 #ifndef MCMD_DEFORM_COMMAND_H
2 #define MCMD_DEFORM_COMMAND_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/commands/Command.h> // base class
12 #include <mcMd/simulation/SystemInterface.h> // base class
13 
14 namespace McMd
15 {
16 
17  class System;
18  using namespace Util;
19 
25  class DeformCommand : public Command, private SystemInterface
26  {
27 
28  public:
29 
33  DeformCommand(System& system);
34 
38  virtual ~DeformCommand();
39 
43  virtual
44  void execute(std::istream& in);
45 
46  #if 0
47 
50  virtual void save(Serializable::OArchive& ar)
51  {}
52 
56  virtual void loadParameters(Serializable::IArchive& ar)
57  {}
58  #endif
59 
60  protected:
61 
67  virtual void reneighbor() = 0;
68 
69  };
70 
71 }
72 #endif
Command to deform the unit cell.
Definition: DeformCommand.h:25
An interface to a System.
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Command is an object that can be invoked from the command script.
Definition: Command.h:40
Saving archive for binary istream.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).