1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation
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
13 the Free Software Foundation, either version 3 of the License, or
14 (at your 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, see <http://www.gnu.org/licenses/>.
24 \*---------------------------------------------------------------------------*/
26 if (mesh.time().timeIndex() % vacf.sampleSteps() == 0)
28 Field<vector> uVals(molecules.size());
32 forAllConstIter(IDLList<molecule>, molecules, mol)
34 uVals[uV++] = mol().U();
37 vacf.calculateCorrelationFunction(uVals);
40 if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
42 vector p = vector::zero;
44 forAllConstIter(IDLList<molecule>, molecules, mol)
47 mol().mass() * mol().U().y() * mol().U().z()
48 + 0.5*mol().rf().yz();
51 mol().mass() * mol().U().z() * mol().U().x()
52 + 0.5*mol().rf().zx();
55 mol().mass() * mol().U().x() * mol().U().y()
56 + 0.5*mol().rf().xy();
59 pacf.calculateCorrelationFunction(p);
62 if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
64 vector s = vector::zero;
66 forAllConstIter(IDLList<molecule>, molecules, mol)
70 0.5*mol().mass()*magSqr(mol().U())
71 + mol().potentialEnergy()
73 + 0.5*(mol().rf() & mol().U());
76 hfacf.calculateCorrelationFunction(s);