tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict

   1 /*--------------------------------*- C++ -*----------------------------------*\
   2 | =========                 |                                                 |
   3 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
   4 |  \\    /   O peration     | Version:  2.0.0                                 |
   5 |   \\  /    A nd           | Web:      www.OpenFOAM.com                      |
   6 |    \\/     M anipulation  |                                                 |
   7 \*---------------------------------------------------------------------------*/
   8 FoamFile
   9 {
  10     version     2.0;
  11     format      ascii;
  12     class       dictionary;
  13     object      molConfigDict;
  14 }
  15
  16 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  17
  18 // Euler angles, expressed in degrees as phi, theta, psi, see
  19 // http://mathworld.wolfram.com/EulerAngles.html
  20
  21 liquid
  22 {
  23     massDensity             980;
  24     temperature             298;
  25     bulkVelocity            (0.0 0.0 0.0);
  26     latticeIds
  27     (
  28         water
  29         water2
  30         water
  31         water2
  32     );
  33     tetherSiteIds           ();
  34     latticePositions
  35     (
  36         (0 0 0)
  37         (0 0.5 0.5)
  38         (0.5 0 0.5)
  39         (0.5 0.5 0)
  40     );
  41     anchor                  (0 0 0);
  42     orientationAngles       (0 0 0);
  43     latticeCellShape        (1 1 1);
  44 }
  45
  46 // ************************************************************************* //