73 lines
1.8 KiB
C++
73 lines
1.8 KiB
C++
/*--------------------------------*- C++ -*----------------------------------*\
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| ========= | |
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| \\ / F ield | foam-extend: Open Source CFD |
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| \\ / O peration | Version: 4.1 |
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| \\ / A nd | Web: http://www.foam-extend.org |
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| \\/ M anipulation | |
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\*---------------------------------------------------------------------------*/
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FoamFile
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{
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version 2.0;
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format ascii;
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class dictionary;
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location "constant";
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object moleculeProperties;
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}
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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water
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{
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siteIds (H H O M);
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pairPotentialSiteIds (O);
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siteReferencePositions
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(
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(7.56950327263661e-11 5.85882276618295e-11 0)
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(-7.56950327263661e-11 5.85882276618295e-11 0)
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(0 0 0)
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(0 1.5e-11 0)
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);
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siteMasses
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(
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1.67353255e-27
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1.67353255e-27
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2.6560176e-26
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0
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);
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siteCharges
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(
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8.3313177324e-20
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8.3313177324e-20
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0
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-1.66626354648e-19
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);
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}
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water2
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{
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siteIds (H2 H2 O M2);
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pairPotentialSiteIds (O);
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siteReferencePositions
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(
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(7.56950327263661e-11 5.85882276618295e-11 0)
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(-7.56950327263661e-11 5.85882276618295e-11 0)
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(0 0 0)
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(0 1.5e-11 0)
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);
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siteMasses
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(
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1.67353255e-27
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1.67353255e-27
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2.6560176e-26
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0
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);
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siteCharges
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(
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8.3313177324e-20
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8.3313177324e-20
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0
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-1.66626354648e-19
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);
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}
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// ************************************************************************* //
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