Simpatico  v1.10
McDeformCommand.h
1 #ifndef MCMD_MC_DEFORM_COMMAND_H
2 #define MCMD_MC_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/DeformCommand.h>
12 #include <mcMd/mcSimulation/McSystem.h>
13 
14 namespace McMd
15 {
16 
17  class McSystem;
18  class McPairPotential;
19  using namespace Util;
20 
27  {
28 
29  public:
30 
34  McDeformCommand(McSystem& system);
35 
39  virtual ~McDeformCommand();
40 
44  virtual void reneighbor();
45 
46  private:
47 
48  #ifndef SIMP_NOPAIR
49  McPairPotential* pairPtr_;
50  #endif
51 
52  };
53 
54 }
55 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
Command to deform the unit cell.
Definition: DeformCommand.h:25
A PairPotential for MC simulations (abstract).
Command to deform the unit cell.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).