/usr/include/freefoam/molecule/meanMomentumEnergyAndNMols.H is in libfreefoam-dev 0.1.0+dfsg-1build1.
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========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
Global
meanMomentumEnergyAndNMols.H
Description
Calculates and prints the mean momentum and energy in the system
and the number of molecules.
\*---------------------------------------------------------------------------*/
vector singleStepTotalLinearMomentum(vector::zero);
vector singleStepTotalAngularMomentum(vector::zero);
scalar singleStepMaxVelocityMag = 0.0;
scalar singleStepTotalMass = 0.0;
scalar singleStepTotalLinearKE = 0.0;
scalar singleStepTotalAngularKE = 0.0;
scalar singleStepTotalPE = 0.0;
scalar singleStepTotalrDotf = 0.0;
//vector singleStepCentreOfMass(vector::zero);
label singleStepNMols = molecules.size();
label singleStepDOFs = 0;
{
IDLList<molecule>::iterator mol(molecules.begin());
for
(
mol = molecules.begin();
mol != molecules.end();
++mol
)
{
label molId = mol().id();
scalar molMass(molecules.constProps(molId).mass());
singleStepTotalMass += molMass;
//singleStepCentreOfMass += mol().position()*molMass;
}
// if(singleStepNMols)
// {
// singleStepCentreOfMass /= singleStepTotalMass;
// }
for
(
mol = molecules.begin();
mol != molecules.end();
++mol
)
{
label molId = mol().id();
const molecule::constantProperties cP(molecules.constProps(molId));
scalar molMass(cP.mass());
const diagTensor& molMoI(cP.momentOfInertia());
const vector& molV(mol().v());
const vector& molOmega(inv(molMoI) & mol().pi());
vector molPiGlobal = mol().Q() & mol().pi();
singleStepTotalLinearMomentum += molV * molMass;
singleStepTotalAngularMomentum += molPiGlobal;
//+((mol().position() - singleStepCentreOfMass) ^ (molV * molMass));
if(mag(molV) > singleStepMaxVelocityMag)
{
singleStepMaxVelocityMag = mag(molV);
}
singleStepTotalLinearKE += 0.5*molMass*magSqr(molV);
singleStepTotalAngularKE += 0.5*(molOmega & molMoI & molOmega);
singleStepTotalPE += mol().potentialEnergy();
singleStepTotalrDotf += tr(mol().rf());
singleStepDOFs += cP.degreesOfFreedom();
}
}
if (Pstream::parRun())
{
reduce(singleStepTotalLinearMomentum, sumOp<vector>());
reduce(singleStepTotalAngularMomentum, sumOp<vector>());
reduce(singleStepMaxVelocityMag, maxOp<scalar>());
reduce(singleStepTotalMass, sumOp<scalar>());
reduce(singleStepTotalLinearKE, sumOp<scalar>());
reduce(singleStepTotalAngularKE, sumOp<scalar>());
reduce(singleStepTotalPE, sumOp<scalar>());
reduce(singleStepTotalrDotf, sumOp<scalar>());
reduce(singleStepNMols, sumOp<label>());
reduce(singleStepDOFs, sumOp<label>());
}
if (singleStepNMols)
{
Info<< "Number of molecules in system = "
<< singleStepNMols << nl
<< "Overall number density = "
<< singleStepNMols/meshVolume << nl
<< "Overall mass density = "
<< singleStepTotalMass/meshVolume << nl
<< "Average linear momentum per molecule = "
<< singleStepTotalLinearMomentum/singleStepNMols << ' '
<< mag(singleStepTotalLinearMomentum)/singleStepNMols << nl
<< "Average angular momentum per molecule = "
<< singleStepTotalAngularMomentum << ' '
<< mag(singleStepTotalAngularMomentum)/singleStepNMols << nl
<< "Maximum |velocity| = "
<< singleStepMaxVelocityMag << nl
<< "Average linear KE per molecule = "
<< singleStepTotalLinearKE/singleStepNMols << nl
<< "Average angular KE per molecule = "
<< singleStepTotalAngularKE/singleStepNMols << nl
<< "Average PE per molecule = "
<< singleStepTotalPE/singleStepNMols << nl
<< "Average TE per molecule = "
<<
(
singleStepTotalLinearKE
+ singleStepTotalAngularKE
+ singleStepTotalPE
)
/singleStepNMols
<< endl;
// Info << singleStepNMols << " "
// << singleStepTotalMomentum/singleStepTotalMass << " "
// << singleStepMaxVelocityMag << " "
// << singleStepTotalKE/singleStepNMols << " "
// << singleStepTotalPE/singleStepNMols << " "
// << (singleStepTotalKE + singleStepTotalPE)
// /singleStepNMols << endl;
}
else
{
Info<< "No molecules in system" << endl;
}
// ************************ vim: set sw=4 sts=4 et: ************************ //
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