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foam-extend4.1-coherent-io/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
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| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
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location "constant";
object moleculeProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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water
{
siteIds (H H O M);
pairPotentialSiteIds (O);
siteReferencePositions
(
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(7.56950327263661e-11 5.85882276618295e-11 0)
(-7.56950327263661e-11 5.85882276618295e-11 0)
(0 0 0)
(0 1.5e-11 0)
);
siteMasses
(
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1.67353255e-27
1.67353255e-27
2.6560176e-26
0
);
siteCharges
(
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8.3313177324e-20
8.3313177324e-20
0
-1.66626354648e-19
);
}
// ************************************************************************* //