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foam-extend4.1-coherent-io/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict

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2.3 KiB
C++

/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Subdictionaries specifying the contents of zones
// Euler angles, expressed in degrees as phi, theta, psi, see http://mathworld.wolfram.com/EulerAngles.html
bottomWall
{
massDensity 1220.0;
temperature 300.0;
velocityDistribution maxwellian;
bulkVelocity (0.0 0.0 0.0);
id Ar;
mass 6.63352033e-26;
latticeStructure FCC;
anchor (1.05e-9 3.18e-9 2.87e-9);
anchorSpecifies molecule;
tethered yes;
orientationAngles (30 0 0);
}
liquid
{
massDensity 1100.0;
temperature 250.0;
velocityDistribution maxwellian;
bulkVelocity (245.0 0.0 0.0);
id Ne;
mass 3.350996347e-26;
latticeStructure SC;
anchor (1.05e-9 3.18e-9 2.87e-9);
anchorSpecifies molecule;
tethered no;
orientationAngles (45 0 0);
}
topWall
{
massDensity 1220.0;
temperature 200.0;
velocityDistribution maxwellian;
bulkVelocity (0.0 0.0 0.0);
id Ar;
mass 6.63352033e-26;
latticeStructure BCC;
anchor (1.05e-9 3.18e-9 2.87e-9);
anchorSpecifies corner;
tethered yes;
orientationAngles (0 0 0);
}
// ************************************************************************* //