//Initialize Coordinates
public void InitCoords(VecI initUcell, double density)
{
int nx, ny, nz;
VecR c, gap;
int n = 0;
Console.WriteLine("density = " + density);
gap = new VecR(region.x / initUcell.x, region.y / initUcell.y, region.z / initUcell.z);
for (nz = 0; nz < initUcell.z; nz++)
{
for (ny = 0; ny < initUcell.y; ny++)
{
for (nx = 0; nx < initUcell.x; nx++)
{
c.x = nx + 0.5; c.y = ny + 0.5; c.z = nz + 1.5;
c.x *= gap.x; c.y *= gap.y; c.z *= gap.z;
c.x += -0.5 * region.x; c.y += -0.5 * region.y; c.z += -0.5 * region.z;
Node b = new Node(c, c, c);
nodes.Add(b);
//Introduce connection
if (nx > 0.5)
{
nodes[n - 1].AddCon(n);
nodes[n].AddCon(n - 1);
}
n++;
}
}
}
}
public void SetParams()
{
//Cut-off radius
rCut = Math.Pow(2.0, 1.0 / 6.0);
density = 0.8;
initUcell = new VecI(3, 3, 3); //Firstly manually assign the cell
nMol = initUcell.x * initUcell.y * initUcell.z;
velMag = Math.Sqrt(NDIM * (1.0 - 1.0 / nMol) * temperature);
double fac = 1.0 / Math.Pow(density, 1.0 / 3.0);
region = new VecR(fac * initUcell.x, fac * initUcell.y, fac * initUcell.z);
}
public void SetParams()
{
//Cut-off radius
rCut = Math.Pow(2.0, 1.0 / 6.0);
// density = 0.85;
initUcell = new VecI(3, 3, 3); //Firstly manually assign the cell
nMol = initUcell.x * initUcell.y * initUcell.z;
velMag = Math.Sqrt(NDIM * (1.0 - 1.0 / nMol) * temperature);
double fac = 1.0 / Math.Pow(density, 1.0 / 3.0);
region = new VecR(fac * initUcell.x, fac * initUcell.y, fac * initUcell.z);
//Set Diffusion Params
nValDiffuse = 10;
nBuffDiffuse = 1;
limitDiffusivaAv = 100;
stepDiffuse = 10;
}
