Simpatico  v1.10
McDeformCommand.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 "McDeformCommand.h"
9 #include <mcMd/mcSimulation/McSystem.h>
10 #include <mcMd/potentials/pair/McPairPotential.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("McDeformCommand"); }
26 
27  /*
28  * Default destructor.
29  */
31  {}
32 
33  /*
34  * Rebuild cell list after deformation.
35  */
37  {
38  #ifndef SIMP_NOPAIR
39  // Generate cell list
40  pairPtr_->buildCellList();
41  #endif
42  }
43 
44 }
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
void buildCellList()
Build the CellList with current configuration.
Command to deform the unit cell.
Definition: DeformCommand.h:25
McDeformCommand(McSystem &system)
Constructor.
Utility classes for scientific computation.
Definition: accumulators.mod:1
virtual ~McDeformCommand()
Destructor.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
void setClassName(const char *className)
Set class name string.
virtual void reneighbor()
Rebuild cell list.