foam-extend4.1-coherent-io/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties

/*--------------------------------*- C++ -*----------------------------------*\
| =========                 |                                                 |
| \\      /  F ield         | foam-extend: Open Source CFD                    |
|  \\    /   O peration     | Version:     4.0                                |
|   \\  /    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
    );
}


// ************************************************************************* //