Simpatico  v1.10
ddMd/potentials/angle/AnglePotential.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 "AnglePotential.h"
9 #include <ddMd/simulation/Simulation.h>
10 
11 namespace DdMd
12 {
13  using namespace Util;
14 
15  /*
16  * Constructor.
17  */
19  : boundaryPtr_(&simulation.boundary()),
20  storagePtr_(&simulation.angleStorage())
21  { setClassName("AnglePotential"); }
22 
23  /*
24  * Default constructor (for unit testing).
25  */
27  : boundaryPtr_(0),
28  storagePtr_(0)
29  { setClassName("AnglePotential"); }
30 
31  /*
32  * Associate with related objects. (for unit testing).
33  */
35  {
36  boundaryPtr_ = &boundary;
37  storagePtr_ = &storage;
38  }
39 
40  /*
41  * Destructor.
42  */
44  {}
45 
46 }
An orthorhombic periodic unit cell.
GroupStorage< 3 > & storage() const
Return bond storage by reference.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
void associate(Boundary &boundary, GroupStorage< 3 > &storage)
Associate with related objects.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Boundary & boundary() const
Return boundary by reference.
AnglePotential()
Default constructor (for unit testing).
void setClassName(const char *className)
Set class name string.