Simpatico  v1.10
ddMd/analyzers/trajectory/LammpsDumpWriter.h
1 #ifndef DDMD_LAMMPS_DUMP_WRITER_H
2 #define DDMD_LAMMPS_DUMP_WRITER_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 <ddMd/analyzers/trajectory/TrajectoryWriter.h> // base class
12 
13 namespace DdMd
14 {
15 
16  using namespace Util;
17 
24  {
25 
26  public:
27 
33  LammpsDumpWriter(Simulation& simulation);
34 
38  virtual ~LammpsDumpWriter();
39 
46  void writeFrame(std::ofstream &file, long iStep);
47 
48  private:
49 
51  int nAtom_;
52 
53  };
54 
55 }
56 #endif
Base class to write a trajectory to a single file.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Write a trajectory in the Lammps dump format.