Simpatico  v1.10
tools/analyzers/LammpsDumpWriter.h
1 #ifndef TOOLS_LAMMPS_DUMP_WRITER_H
2 #define TOOLS_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 <tools/analyzers/TrajectoryWriter.h> // base class
12 
13 #include <iostream>
14 #include <fstream>
15 
16 namespace Tools
17 {
18 
19  class Processor;
20  class Configuration;
21  using namespace Util;
22 
29  {
30 
31  public:
32 
38  LammpsDumpWriter(Processor& processor);
39 
46  LammpsDumpWriter(Configuration& configuration, FileMaster& fileMaster);
47 
51  virtual ~LammpsDumpWriter();
52 
59  void writeFrame(std::ofstream &file, long int iStep);
60 
61  private:
62 
64  int nAtom_;
65 
66  };
67 
68 }
69 #endif
A post-processor for analyzing outputs of MD simulations.
Definition: Processor.h:30
An instantaneous molecular dynamics configuration.
Definition: Configuration.h:40
Utility classes for scientific computation.
Definition: accumulators.mod:1
Single-processor classes for pre- and post-processing MD trajectories.
A FileMaster manages input and output files for a simulation.
Definition: FileMaster.h:142
Based class for classes that write trajectories to a single file.
Write a trajectory in the Lammps dump format.