FreeFOAM The Cross-Platform CFD Toolkit
mdFoam.C
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1 /*---------------------------------------------------------------------------*\
2  ========= |
3  \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4  \\ / O peration |
5  \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
6  \\/ M anipulation |
7 -------------------------------------------------------------------------------
8 License
9  This file is part of OpenFOAM.
10 
11  OpenFOAM is free software: you can redistribute it and/or modify it
12  under the terms of the GNU General Public License as published by
13  the Free Software Foundation, either version 3 of the License, or
14  (at your option) any later version.
15 
16  OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
17  ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
18  FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
19  for more details.
20 
21  You should have received a copy of the GNU General Public License
22  along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
23 
24 Application
25  mdFoam
26 
27 Description
28  Molecular dynamics solver for fluid dynamics
29 
30 Usage
31  - mdFoam [OPTION]
32 
33  @param -case <dir> \n
34  Specify the case directory
35 
36  @param -parallel \n
37  Run the case in parallel
38 
39  @param -help \n
40  Display short usage message
41 
42  @param -doc \n
43  Display Doxygen documentation page
44 
45  @param -srcDoc \n
46  Display source code
47 
48 \*---------------------------------------------------------------------------*/
49 
50 #include <finiteVolume/fvCFD.H>
51 #include <molecule/md.H>
52 
53 int main(int argc, char *argv[])
54 {
55 
56 # include <OpenFOAM/setRootCase.H>
57 # include <OpenFOAM/createTime.H>
58 # include <OpenFOAM/createMesh.H>
59 
60  potential pot(mesh);
61 
62  moleculeCloud molecules(mesh, pot);
63 
65 
66  label nAveragingSteps = 0;
67 
68  Info << "\nStarting time loop\n" << endl;
69 
70  while (runTime.loop())
71  {
72 
73  nAveragingSteps++;
74 
75  Info << "Time = " << runTime.timeName() << endl;
76 
77  molecules.evolve();
78 
80 
82 
83  runTime.write();
84 
85  if (runTime.outputTime())
86  {
87  nAveragingSteps = 0;
88  }
89 
90  Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
91  << " ClockTime = " << runTime.elapsedClockTime() << " s"
92  << nl << endl;
93  }
94 
95  Info << "End\n" << endl;
96 
97  return 0;
98 }
99 
100 // ************************ vim: set sw=4 sts=4 et: ************************ //