Simpatico  v1.10
SpecialPotential.h
1 #ifndef MCMD_SPECIAL_POTENTIAL_H
2 #define MCMD_SPECIAL_POTENTIAL_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 <util/param/ParamComposite.h> // base class
12 #include <mcMd/potentials/misc/EnergyCalculator.h> // base class
13 #include <mcMd/potentials/misc/StressCalculator.h> // base class
14 
15 namespace McMd
16 {
17 
18  using namespace Util;
19 
26  public EnergyCalculator, public StressCalculator
27  {
28 
29  public:
30 
34  virtual ~SpecialPotential();
35 
39  virtual void addForces() = 0;
40 
41  protected:
42 
48  SpecialPotential(bool createsStress = true);
49 
50  };
51 
52 }
53 #endif
Specialized potential for an MD simulation.
Interface for a class that calculates a total energy.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
An object that can read multiple parameters from file.
Interface for a stress calculator.