Simpatico  v1.10
MdDeformCommand.h
1 #ifndef MCMD_MD_DEFORM_COMMAND_H
2 #define MCMD_MD_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/mdSimulation/MdSystem.h>
13 
14 namespace McMd
15 {
16 
17  class MdSystem;
18  class MdPairPotential;
19  using namespace Util;
20 
27  {
28 
29  public:
30 
34  MdDeformCommand(MdSystem& system);
35 
39  virtual ~MdDeformCommand();
40 
44  virtual void reneighbor();
45 
46  private:
47 
48  #ifndef SIMP_NOPAIR
49  MdPairPotential* pairPtr_;
50  #endif
51 
52  };
53 
54 }
55 #endif
Command to deform the unit cell.
Definition: DeformCommand.h:25
Command to deform the unit cell.
Utility classes for scientific computation.
Definition: accumulators.mod:1
An PairPotential for MD simulation.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A System for Molecular Dynamics simulation.
Definition: MdSystem.h:68