mdFoam.C
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1/*---------------------------------------------------------------------------*\
2 ========= |
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4 \\ / O peration |
5 \\ / A nd |
6 \\/ M anipulation |
7-------------------------------------------------------------------------------
8 Copyright (C) 2011-2016 OpenFOAM Foundation
9-------------------------------------------------------------------------------
10License
11 This file is part of OpenFOAM.
12
13 OpenFOAM is free software: you can redistribute it and/or modify it
14 under the terms of the GNU General Public License as published by
15 the Free Software Foundation, either version 3 of the License, or
16 (at your option) any later version.
17
18 OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
19 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
20 FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
21 for more details.
22
23 You should have received a copy of the GNU General Public License
24 along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
25
26Application
27 mdFoam
28
29Group
30 grpDiscreteMethodsSolvers
31
32Description
33 Molecular dynamics solver for fluid dynamics.
34
35\*---------------------------------------------------------------------------*/
36
37#include "fvCFD.H"
38#include "md.H"
39
40// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
41
42int main(int argc, char *argv[])
43{
44 argList::addNote
45 (
46 "Molecular dynamics solver for fluid dynamics."
47 );
48
49 #define NO_CONTROL
50 #include "postProcess.H"
51
52 #include "setRootCaseLists.H"
53 #include "createTime.H"
54 #include "createMesh.H"
55 #include "createFields.H"
57
58 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
59
60 label nAveragingSteps = 0;
61
62 Info<< "\nStarting time loop\n" << endl;
63
64 while (runTime.loop())
65 {
66 nAveragingSteps++;
67
68 Info<< "Time = " << runTime.timeName() << endl;
69
70 molecules.evolve();
71
74
75 runTime.write();
76
77 if (runTime.writeTime())
78 {
79 nAveragingSteps = 0;
80 }
81
82 runTime.printExecutionTime(Info);
83 }
84
85 Info<< "End\n" << endl;
86
87 return 0;
88}
89
90
91// ************************************************************************* //
engineTime & runTime
Required Variables.
Calculates and prints the mean momentum and energy in the system and the number of molecules.
messageStream Info
Information stream (stdout output on master, null elsewhere)
Ostream & endl(Ostream &os)
Add newline and flush stream.
Definition: Ostream.H:372
Execute application functionObjects to post-process existing results.
Provides accumulation variables for temperatureAndPressure.H.
Accumulates values for temperature and pressure measurement, and calculates and outputs the average v...