Simpatico  v1.10
MdDeformCommand.cpp
1 /*
2 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
3 *
4 * Copyright 2010 - 2017, The Regents of the University of Minnesota
5 * Distributed under the terms of the GNU General Public License.
6 */
7 
8 #include "MdDeformCommand.h"
9 #include <mcMd/mdSimulation/MdSystem.h>
10 #include <mcMd/potentials/pair/MdPairPotential.h>
11 
12 namespace McMd
13 {
14 
15  using namespace Util;
16 
17  /*
18  * Default constructor.
19  */
21  : DeformCommand(system)
22  #ifndef SIMP_NOPAIR
23  , pairPtr_(&system.pairPotential())
24  #endif
25  { setClassName("MdDeformCommand"); }
26 
27  /*
28  * Default destructor.
29  */
31  {}
32 
33  /*
34  * Rebuild pair list after deformation.
35  */
37  {
38  #ifndef SIMP_NOPAIR
39  pairPtr_->buildPairList();
40  #endif
41  }
42 
43 }
virtual ~MdDeformCommand()
Destructor.
Command to deform the unit cell.
Definition: DeformCommand.h:25
MdDeformCommand(MdSystem &system)
Constructor.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
void buildPairList()
Build the internal PairList.
void setClassName(const char *className)
Set class name string.
A System for Molecular Dynamics simulation.
Definition: MdSystem.h:68
virtual void reneighbor()
Rebuild cell list.