Simpatico  v1.10
TwoStepIntegrator.h
1 #ifndef DDMD_TWO_STEP_INTEGRATOR_H
2 #define DDMD_TWO_STEP_INTEGRATOR_H
3 
4 #include "Integrator.h"
5 
6 /*
7 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
8 *
9 * Copyright 2010 - 2017, The Regents of the University of Minnesota
10 * Distributed under the terms of the GNU General Public License.
11 */
12 
13 namespace DdMd
14 {
15 
16  class Simulation;
17  using namespace Util;
18 
25  {
26 
27  public:
28 
32  TwoStepIntegrator(Simulation& simulation);
33 
38 
44  void run(int nStep);
45 
46  protected:
47 
55  virtual void integrateStep1() = 0;
56 
63  virtual void integrateStep2() = 0;
64 
65  };
66 
67 }
68 #endif
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
An Integrator numerically integrates the equations of motion.
Definition: Integrator.h:29
Utility classes for scientific computation.
Definition: accumulators.mod:1
A two-step velocity-Verlet style integrator.