void EvalDiffusion()
{
VecR dr = new VecR();
int ni;
for (int nb = 0; nb < nBuffDiffuse; nb++)
{
if (tBuf[nb].GetCount == 0)
{
foreach (Node node in nodes)
{
tBuf[nb].AddorigR(node.Getr);
tBuf[nb].AddrTrue(node.Getr);
}
}
if (tBuf[nb].GetCount >= 0)
{
ni = tBuf[nb].GetCount;
tBuf[nb].InitrrDiffuse(0.0);
for (int n = 0; n < nodes.Count; n++)
{
dr.VSub(tBuf[nb].GetrTrue[n].Get, nodes[n].Getr);
dr.VDiv(dr.Get, region.Get);
dr.Nint();
dr.VMul(dr.Get, region.Get);
tBuf[nb].GetrTrue[n].Get.VAdd(nodes[n].Getr, dr.Get);
dr.VSub(tBuf[nb].GetrTrue[n].Get, tBuf[nb].GetorgR[n].Get);
tBuf[nb].AddrrDiffuse(ni, dr.VLenSq());
}
}
tBuf[nb].AddCount();
}
AccumDiffusion();
}
public void VWrap(VecR region)
{
if (x >= 0.5 * region.x)
{
x -= region.x;
}
if (x < -0.5 * region.x)
{
x += region.x;
}
if (y >= 0.5 * region.y)
{
y -= region.y;
}
if (y < -0.5 * region.y)
{
y += region.y;
}
if (z >= 0.5 * region.z)
{
z -= region.z;
}
if (z < -0.5 * region.z)
{
z += region.z;
}
}
private void Update(int per, List <Node> nodes, VecR region, int step)
{
progressBar1.Value = per;
this.Text = per.ToString();
Bitmap bmp = new Bitmap(pictureBox1.Width, pictureBox1.Height);
Graphics g = Graphics.FromImage(bmp);
int radius = 10;
foreach (Node node in nodes)
{
float x = (float)((node.Getr.x + 0.5 * region.x) * pictureBox1.Width / region.x);
float y = (float)((node.Getr.y + 0.5 * region.y) * pictureBox1.Height / region.y);
try { g.DrawEllipse(new Pen(Color.Black), x, y, radius, radius); }
catch (OverflowException)
{
if (listen.ThreadState == ThreadState.Running)
{
listen.Abort();
do
{
Thread.Sleep(100);
} while (listen.ThreadState == ThreadState.Running);
}
buttonStart.Enabled = true;
MessageBox.Show("Overflow error.");
}
// Console.WriteLine(x);
pictureBox1.Image = bmp;
Step.Text = step.ToString();
}
}
//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 VWrap(VecR region)
{
if (r.x >= 0.5 * region.x)
{
r.x -= region.x;
}
if (r.x < -0.5 * region.x)
{
r.x += region.x;
}
if (r.y >= 0.5 * region.y)
{
r.y -= region.y;
}
if (r.y < -0.5 * region.y)
{
r.y += region.y;
}
if (r.z >= 0.5 * region.z)
{
r.z -= region.z;
}
if (r.z < -0.5 * region.z)
{
r.z += region.z;
}
}
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);
}
private void Update(int per, List <Node> nodes, VecR region, int step)
{
progressBar1.Value = per;
this.Text = per.ToString();
Bitmap bmp = new Bitmap(pictureBox1.Width, pictureBox1.Height);
Graphics g = Graphics.FromImage(bmp);
int radius = 10;
foreach (Node node in nodes)
{
float x = (float)((node.Getr.x + 0.5 * region.x) * pictureBox1.Width / region.x);
float y = (float)((node.Getr.y + 0.5 * region.y) * pictureBox1.Height / region.y);
g.DrawEllipse(new Pen(Color.Black), x, y, radius, radius);
// Console.WriteLine(x);
pictureBox1.Image = bmp;
Step.Text = step.ToString();
}
}
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;
}
public void VVSAddR(double fac, VecR dr)
{
ra.x += fac * dr.x;
ra.y += fac * dr.y;
ra.z += fac * dr.z;
}
public void VAdd(VecR a, VecR b)
{
x = a.x + b.x; y = a.y + b.y; z = a.z + b.z;
}
public void VMul(VecR a, VecR b)
{
x = a.x * b.x; y = a.y * b.y; z = a.z * b.z;
}
public void VDiv(VecR a, VecR b)
{
x = a.x / b.x; y = a.y / b.y; z = a.z / b.z;
}
public void AddrTrue(VecR r)
{
rTrue.Add(r);
}
public void AddorigR(VecR r)
{
orgR.Add(r);
}
public void VVSAddV(double fac, VecR dr)
{
rv.x += fac * dr.x;
rv.y += fac * dr.y;
rv.z += fac * dr.z;
}
public void Setr(VecR r)
{
this.r = r;
}
public Node(VecR r, VecR rv, VecR ra)
{
this.r = r;
this.rv = rv;
this.ra = ra;
}
public void VVAdd(VecR r)
{
x += r.x; y += r.y; z += r.z;
}