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