1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 1991-2008 OpenCFD Ltd.
7 -------------------------------------------------------------------------------
9 This file is part of OpenFOAM.
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 the
13 Free Software Foundation; either version 2 of the License, or (at your
14 option) any later version.
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
21 You should have received a copy of the GNU General Public License
22 along with OpenFOAM; if not, write to the Free Software Foundation,
23 Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
25 \*---------------------------------------------------------------------------*/
27 if (mesh.time().timeIndex() % vacf.sampleSteps() == 0)
29 IDLList<molecule>::iterator mol(molecules.begin());
31 Field<vector> uVals(molecules.size());
37 mol = molecules.begin();
38 mol != molecules.end();
42 uVals[uV] = mol().U();
45 vacf.calculateCorrelationFunction(uVals);
48 if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
50 IDLList<molecule>::iterator mol(molecules.begin());
52 vector p = vector::zero;
56 mol = molecules.begin();
57 mol != molecules.end();
62 mol().mass() * mol().U().y() * mol().U().z()
64 0.5 * mol().rf().yz();
67 mol().mass() * mol().U().z() * mol().U().x()
69 0.5 * mol().rf().zx();
72 mol().mass() * mol().U().x() * mol().U().y()
74 0.5 * mol().rf().xy();
77 pacf.calculateCorrelationFunction(p);
80 if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
83 IDLList<molecule>::iterator mol(molecules.begin());
85 vector s = vector::zero;
89 mol = molecules.begin();
90 mol != molecules.end();
96 0.5 * mol().mass() * magSqr(mol().U())
98 mol().potentialEnergy()
101 0.5 * ( mol().rf() & mol().U() );
104 hfacf.calculateCorrelationFunction(s);