Simpatico  v1.10
SpecialPotentialFacade.h
1 #ifndef MCMD_SPECIAL_POTENTIAL_FACADE_H
2 #define MCMD_SPECIAL_POTENTIAL_FACADE_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/potentials/special/SpecialPotential.h> // base class
12 
13 namespace McMd
14 {
15 
16  class System;
17 
18  using namespace Util;
19 
25  template <class PotentialType, class FactoryType>
27  {
28 
29  public:
30 
35 
39  virtual ~SpecialPotentialFacade();
40 
44  void readParameters(std::istream& in);
45 
49  void computeEnergy();
50 
54  void addForces();
55 
56  private:
57 
59  System* systemPtr_;
60 
62  PotentialType* potentialPtr_;
63 
65  std::string style_;
66 
67  };
68 
69 }
70 #include "SpecialPotentialFacade.tpp"
71 #endif
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
Specialized potential for an MD simulation.
SpecialPotential interface to an existing potential.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).