/* template QM3D                */
/* coded by Ikeuchi Mitsuru     */
/* ver 0.0.1   2004.05.09       */

import java.awt.*;
import java.awt.event.*;
import java.applet.*;

public class templateQM3D extends Applet
  implements MouseListener, MouseMotionListener,
    ItemListener, ActionListener, AdjustmentListener, Runnable {

/* -------------------------------------- set global ------ */

  Choice cvw;
  Button bt_reset, bt_start, bt_stop;
  Scrollbar spx,spy,spz;
  Thread th = null;

  Dimension dim;
  Image imgOff;
  Graphics gOff;

  int sleepTime = 30;

  int dispMode = 0;
  double px0 = 24.0;
  double py0 = 0.0;
  double pz0 = 0.0;

  int started = 1;


  int dgX, dgY, dgXb,dgYb;
  double viewTheta = -15.0*3.14/180.0;
  double viewFai = -72.0*3.14/180.0;
  double dtheta = 0.0*3.14/180.0;
  double pai = 3.1415926536;

  double cosTh = Math.cos(viewTheta); 
  double sinTh = Math.sin(viewTheta);
  double cosFi = Math.cos(viewFai);
  double sinFi = Math.sin(viewFai);


  double t = 0.0;

  double dx = 2.0/64.0;
  double dy = 2.0/64.0;
  double dz = 2.0/64.0;
  double dt = 0.25*(dx*dx);

  double epsilonX = dt/(dx*dx);
  double alphaXRe = 0.5 * (1.0+Math.cos(epsilonX/2));
  double alphaXIm = -0.5 * Math.sin(epsilonX/2);
  double betaXRe = Math.sin(epsilonX/4)*Math.sin(epsilonX/4);
  double betaXIm = 0.5 * Math.sin(epsilonX/2);
  
  double epsilonY = dt/(dy*dy);
  double alphaYRe = 0.5 * (1.0+Math.cos(epsilonY/2));
  double alphaYIm = -0.5 * Math.sin(epsilonY/2);
  double betaYRe = Math.sin(epsilonY/4)*Math.sin(epsilonY/4);
  double betaYIm = 0.5 * Math.sin(epsilonY/2);

  double epsilonZ = dt/(dz*dz);
  double alphaZRe = 0.5 * (1.0+Math.cos(epsilonZ/2));
  double alphaZIm = -0.5 * Math.sin(epsilonZ/2);
  double betaZRe = Math.sin(epsilonZ/4)*Math.sin(epsilonZ/4);
  double betaZIm = 0.5 * Math.sin(epsilonZ/2);

  int NNx = 64;
  int NNy = 64;
  int NNz = 64;
  int NN = NNx+1; /* max(NNx,NNy,NNz)+1 */
  int NNr = 500;

  double phRe[][][] = new double[NNx][NNy][NNz];
  double phIm[][][] = new double[NNx][NNy][NNz];  
  double vv[][][] = new double[NNx][NNy][NNz];


  int xpts[] = new int[NN];
  int ypts[] = new int[NN];
  double icol[] = new double[NN];

  int pxBox[] = new int[8];
  int pyBox[] = new int[8];
  int boxp[][] = {
   {0,1},{0,2},{0,4},{1,3},{1,5},{2,3},{2,6},{4,5},{4,6},{3,7},{5,7},{6,7}
  };

  double srh[] = new double[NNr+1];
  int xptr[] = new int[NNr+1];
  int yptr[] = new int[NNr+1];
  int zptr[] = new int[NNr+1];

/* ----------------------------- applet control ------ */

  public void init() {

    resize(630,320);
    setBackground(Color.white);

    dim = getSize();
    imgOff = createImage(dim.width,dim.height);
    gOff = imgOff.getGraphics();

    cvw = new Choice();
    cvw.addItem("3D"); cvw.addItem("phase 3D"); cvw.addItem("cloud 3D");
    cvw.addItem("grid ph2"); cvw.addItem("grid V");cvw.addItem("grid ph2+V");
    cvw.addItem("density"); cvw.addItem("phase");
    cvw.addItemListener(this);

    bt_reset= new Button("reset");
    bt_reset.addActionListener(this);

    bt_start= new Button("start");
    bt_start.addActionListener(this); 

    bt_stop = new Button("stop");
    bt_stop.addActionListener(this);
    
    spx= new Scrollbar(Scrollbar.HORIZONTAL,240,10,0,310);
    spx.addAdjustmentListener(this);

    spy= new Scrollbar(Scrollbar.HORIZONTAL,0,10,0,310);
    spy.addAdjustmentListener(this);

    spz= new Scrollbar(Scrollbar.HORIZONTAL,0,10,0,310);
    spz.addAdjustmentListener(this);

    addMouseListener(this);  
    addMouseMotionListener(this);

    setLayout(new BorderLayout());
    Panel pnl = new Panel();
    pnl.setLayout(new GridLayout(1,6,5,0));
    pnl.add(bt_reset);
    pnl.add(bt_start);
    pnl.add(bt_stop);
    pnl.add(cvw);
    pnl.add(spx);
    pnl.add(spy);
    add(pnl,"North");

    setInitialCondition();
  }

  public void start() {
    if (th == null) {
      th = new Thread(this);
      th.start();
    }
  }

  public void stop() {
    if (th != null) {
      th.stop();
      th = null;
    }
  }

  public void itemStateChanged(ItemEvent ev){
    if (ev.getSource() == cvw){
      dispMode = cvw.getSelectedIndex();
      repaint(); 
    }
  }

  public void actionPerformed(ActionEvent ev){
    if(ev.getSource() == bt_reset){ 
      t = 0.0;
      setInitialCondition();
      started = 0;
    } else if(ev.getSource() == bt_start){ 
      started = 1;
    } else if(ev.getSource() == bt_stop){
      started = 0;
    }
		}

  public void adjustmentValueChanged(AdjustmentEvent ev){
    if (ev.getSource() == spx) { 
      px0 = 0.1*(double)(spx.getValue());
    } else if (ev.getSource() == spy) { 
      py0 = 0.1*(double)(spy.getValue());
    } else if (ev.getSource() == spz) { 
      pz0 = 0.1*(double)(spz.getValue());
    }
  }

  public void mousePressed(MouseEvent ev){ }
  public void mouseReleased(MouseEvent ev){
    dgXb = 0; dgYb = 0;
    dgX = 0; dgY = 0;
  }
  public void mouseClicked(MouseEvent ev){ }
  public void mouseEntered(MouseEvent ev){ } 
  public void mouseExited (MouseEvent ev){ }

  public void mouseMoved  (MouseEvent ev){ }

  public void mouseDragged(MouseEvent ev){
    dgXb = dgX; dgYb = dgY;
    dgX=ev.getX();
    dgY=ev.getY();
    if (dgXb==0 && dgYb==0) {
      dgXb = dgX; dgYb = dgY;
    }
    viewTheta += 0.5*3.14/180.0*(dgX-dgXb);
    viewFai += 0.5*3.14/180.0*(dgY-dgYb);
    cosTh = Math.cos(viewTheta); 
    sinTh = Math.sin(viewTheta);
    cosFi = Math.cos(viewFai);
    sinFi = Math.sin(viewFai);
  }

  public void run() {
    while (th != null) {
      try {
        timeEvolution();
        offPaint();
        repaint();
        Thread.sleep(sleepTime);
      } catch (InterruptedException e) { }
    }
  }

  public void update(Graphics g) {
    paint(g);
  }

  public void paint(Graphics g) {
    g.drawImage(imgOff,0,0,this);
  }

/* ----------------------------- offPaint -------------------- */

  void offPaint() {
    int gb;
    double ev,ek;

    gOff.setColor(Color.white);
    gOff.fillRect(0,0,dim.width,dim.height);

	   ev = meanPotential();
    ek = meanKinetic();

    if (dispMode==0) {

      boxPlot();
      dens3DPlot(4.0);
      boxPlot2();

    } else if (dispMode==1) {

      boxPlot();
      phase3DPlot(4.0);
      boxPlot2();

    } else if (dispMode==2) {

      boxPlot();
      cloud3DPlot();
      boxPlot2();

    } else if (dispMode==3) {

      gridPlot(NNz/2,4.0,0.0);

    } else if (dispMode==4) {

      gridPlot(NNz/2,0.0,2.0);

    } else if (dispMode==5) {

      gridPlot(NNz/2,4.0,2.0);

    } else if (dispMode==6) {

      densPlot(0.5);

    } else if (dispMode==7) {

      phasePlot(0.5);

    }

    gb = 400;
    gOff.setColor(Color.black);
    gOff.drawString("view",630/6*3+10,40);
    gOff.drawString("px0="+(int)(px0*10.0+0.5)/10.0+" au",630/6*4+10,40);
    gOff.drawString("py0="+(int)(py0*10.0+0.5)/10.0+" au",630/6*5+10,40);

    gOff.setColor(Color.blue);
    gOff.drawString("t="+(int)(t*2418.9+0.5)/100.0+" as",630/6*0+10,40);

    gOff.setColor(Color.black);
    gOff.drawString("box="+(int)(NNx*dx)+"x"+ +(int)(NNy*dy)+"x"+(int)(NNz*dz)+" au(1 au = 52.918 pm)",gb,60);
    gOff.setColor(Color.blue);
    gOff.drawString("norm="+norm()+" ",gb,80);
    gOff.drawString("<V>="+ev+" au",gb,100);
    gOff.drawString("<K>="+ek+" au",gb,120);
    gOff.drawString("<K>+<V>="+(ek+ev)+" au",gb,140);

  }

/*------------------------------- plot methods  ------------*/

  void densPlot(double weight) {
    int i,j,k;
    int gbx,gby,mag;
    double ph2;

    gbx = 30;
    gby = 70;
    mag = 3;
    gOff.setColor(Color.black);
    gOff.fillRect(gbx-1,gby-1,mag*NNx+1,mag*NNy+1);

    k = NNz/2;
    for (i=1; i<NNx-1; i++) {
      for (j=1; j<NNy-1; j++) {
        ph2 = weight*(phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k]);
        if (ph2>1.0) {
          ph2 = 1.0;
        }
        if (ph2>0.1) {
          gOff.setColor(Color.getHSBColor(0.15f, 0.95f, (float)(ph2)));
          gOff.fillRect(gbx+mag*i,gby+mag*j, mag, mag);
        } else if (vv[i][j][k]>0.0) {
          gOff.setColor(Color.getHSBColor(0.33f, 0.95f, 0.6f));
          gOff.fillRect(gbx+mag*i,gby+mag*j, mag, mag);
        }
      }
    }
  }

  void phasePlot(double weight) {
    int i,j,k;
    int gbx,gby,mag;
    double ph2,r;

    gbx = 30;
    gby = 70;
    mag = 3;
    gOff.setColor(Color.black);
    gOff.fillRect(gbx-1,gby-1,mag*NNx+1,mag*NNy+1);

    k = NNz/2;
    for (i=1; i<NNx-1; i++) {
      for (j=1; j<NNy-1; j++) {
        ph2 = weight*(phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k]);
        if (ph2>1.0) {
          ph2 = 1.0;
        }
        if (ph2>0.1) {
          r = Math.sqrt(ph2/weight);
          gOff.setColor(Color.getHSBColor((float)(0.5+0.5*phRe[i][j][k]/r), 0.9f, (float)(ph2)));
          gOff.fillRect(gbx+mag*i,gby+mag*j, mag, mag);
        } else if (vv[i][j][k]>0.0) {
          gOff.setColor(Color.getHSBColor(0.33f, 0.95f, 0.6f));
          gOff.fillRect(gbx+mag*i,gby+mag*j, mag, mag);
        }
      }
    }
  }

  void gridPlot(int zPos,double phWeight, double vvWeight) {
    int i,j,k,gbx,gby;
    int cx,cy,cz;
    double z,px,py,pz,sc;
    double ph2,v;

    cx = NNx/2;
    cy = NNy/2;
    cz = 0;
    sc = 4.0;

    gbx = 30+(int)(cx/sc);
    gby = 50+(int)(cy/sc);
    k = zPos;

    for(j=0; j<NNy-1; j += 2) {
      for (i=0; i<NNx-1; i++) { 
        ph2 = phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k];
        v = vv[i][j][k];
        if (v>5.0) {
          v=5.0;
        }
        z = phWeight*ph2 + vvWeight*v + cz;
        py = cosFi*(j-cy)+sinFi*(z-cz) + cy; 
        pz = -sinFi*(j-cy)+cosFi*(z-cz) + cz;
        px = cosTh*(i-cx)+sinTh*(pz-cz) + cx; 
        pz = -sinTh*(i-cx)+cosTh*(pz-cz) + cz;
        xpts[i] = (int)(sc*px)+gbx;
        ypts[i] = (int)(sc*py)+gby;
        if (ph2>0.1) {
          icol[i] = 0.15;
        } else if (vv[i][j][k]>0.0) {
            icol[i] = 0.33;
        } else {
          icol[i] = 0.66;
        }
      }
      for (i=0; i<NNx-2; i++) {
        gOff.setColor(Color.getHSBColor((float)icol[i],0.9f,0.9f));
        gOff.drawLine(xpts[i],ypts[i],xpts[i+1],ypts[i+1]);
      }
    }

    for(i=0; i<NNx-1; i += 2) {
      for (j=0; j<NNy-1; j++) {
        ph2 = phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k];
        v = vv[i][j][k];
        if (v>5.0) {
          v=5.0;
        }
        z = phWeight*ph2 + vvWeight*v + cz;
        py = cosFi*(j-cy)+sinFi*(z-cz) + cy; 
        pz = -sinFi*(j-cy)+cosFi*(z-cz) + cz;
        px = cosTh*(i-cx)+sinTh*(pz-cz) + cx; 
        pz = -sinTh*(i-cx)+cosTh*(pz-cz) + cz;
        xpts[j] = (int)(sc*px)+gbx;
        ypts[j] = (int)(sc*py)+gby;
        if (ph2>0.1) {
          icol[j] = 0.15;
        } else if (vv[i][j][k]>0.0) {
            icol[i] = 0.33;
        } else {
          icol[j] = 0.66;
        }
      }
      for (j=0; j<NNy-2; j++) { 
        gOff.setColor(Color.getHSBColor((float)icol[j],0.9f,0.9f));
        gOff.drawLine(xpts[j],ypts[j],xpts[j+1],ypts[j+1]);
      }
    }
  }

  void dens3DPlot(double weight) {
    int i,j,k,ix,iy,ir;
    int gbx,gby;
    double cxx,cyy,czz;
    double z,ppx,ppy,ppz;
    double mag,dens,col;

    gbx = 60;
    gby = 80;
    mag = 3.0;
    cxx = mag*(NNx/2.0); 
    cyy = mag*(NNy/2.0);
    czz = mag*(NNz/2.0);

    for (i=1; i<NNx-1; i+=2) {
      for (j=1; j<NNy-1; j +=2) {
        for (k=1; k<NNz-1; k+=2) {  
          dens =  phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k];
          ir = (int)(weight*dens);
          if (ir>0 || vv[i][j][k]>0.0) {
            if (ir>10) {
              ir = 10;
            }
            z = k*mag;
            ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
            ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
            ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
            ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

            ix = (int)(ppx)+gbx;
            iy = (int)(ppy)+gby;
            col = 0.66 -0.05*dens;
            if (vv[i][j][k]>0.0) {
              col -= 0.33;
              if (ir<1) {
                ir = 1;
              }
            }
            gOff.setColor(Color.getHSBColor((float)col, 0.95f,0.95f));
            gOff.fillOval(ix-ir/2,iy-ir/2,ir,ir);
          }
        }
      }
    }

  }


  void phase3DPlot(double weight) {
    int i,j,k,ix,iy,ir;
    int gbx,gby;
    double cxx,cyy,czz;
    double z,ppx,ppy,ppz;
    double mag,dens,r;

    gbx = 60;
    gby = 80;
    mag = 3.0;
    cxx = mag*(NNx/2.0); 
    cyy = mag*(NNy/2.0);
    czz = mag*(NNz/2.0);

    for (i=1; i<NNx-1; i+=2) {
      for (j=1; j<NNy-1; j +=2) {
        for (k=1; k<NNz-1; k+=2) {  

          if (vv[i][j][k]>0.0) {
            z = k*mag;
            ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
            ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
            ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
            ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

            ix = (int)(ppx)+gbx;
            iy = (int)(ppy)+gby;
            gOff.setColor(Color.getHSBColor(0.33f, 0.9f,0.9f));
            gOff.fillOval(ix-1,iy-1,2,2);
          }

          dens =  phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k];
          ir = (int)(weight*dens);
          if (ir>0) {
            if (ir>10) {
              ir = 10;
            }
            z = k*mag;
            ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
            ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
            ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
            ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

            ix = (int)(ppx)+gbx;
            iy = (int)(ppy)+gby;
            r = Math.sqrt(dens);
            gOff.setColor(Color.getHSBColor((float)(0.5+0.5*phRe[i][j][k]/r), 0.9f, 0.9f));
            gOff.fillOval(ix-ir/2,iy-ir/2,ir,ir);
          }

        }
      }
    }

  }


  void cloud3DPlot() {
    int i,j,k,ix,iy,ir,m;
    int gbx,gby;
    double cxx,cyy,czz;
    double z,ppx,ppy,ppz;
    double mag;

    setsrh();

    gbx = 60;
    gby = 80;
    mag = 3.0;
    cxx = mag*(NNx/2.0); 
    cyy = mag*(NNy/2.0);
    czz = mag*(NNz/2.0);
    ir = 2;

    for (i=1; i<NNx-1; i+=2) {
      for (j=1; j<NNy-1; j +=2) {
        for (k=1; k<NNz-1; k+=2) {  
          if (vv[i][j][k]>0.0) {
            z = k*mag;
            ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
            ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
            ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
            ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

            ix = (int)(ppx)+gbx;
            iy = (int)(ppy)+gby;
            gOff.setColor(Color.getHSBColor(0.33f, 0.95f,0.95f));
            gOff.fillOval(ix-1,iy-1,2,2);
          }
        }
      }
    }

    for (m=0; m<NNr-1; m++) {
      i=xptr[m]; j=yptr[m]; k=zptr[m]; 
      z = k*mag;
      ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
      ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
      ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
      ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

      ix = (int)(ppx)+gbx;
      iy = (int)(ppy)+gby;
      gOff.setColor(Color.getHSBColor(0.66f, 0.9f,0.9f));
      gOff.fillOval(ix-ir/2,iy-ir/2,ir,ir);
    }
  }


  void boxPlot() {
    int i,j,k,ip,i1,i2;
    int gbx,gby;
    double cxx,cyy,czz;
    double z,ppx,ppy,ppz;
    double mag,dens;

    gbx = 60;
    gby = 80;
    mag = 3.0;
    cxx = mag*(NNx/2.0); 
    cyy = mag*(NNy/2.0);
    czz = mag*(NNz/2.0);

    ip = 0;
    for (i=0; i<NNx; i+=NNx-1) {
      for(j=0; j<NNy; j+=NNy-1) {
        for (k=0; k<NNz; k+=NNz-1) {
          z = k*mag;
          ppy = cosFi*(j*mag-cyy)+sinFi*(z-czz) + cyy; 
          ppz = -sinFi*(j*mag-cyy)+cosFi*(z-czz) + czz;
          ppx = cosTh*(i*mag-cxx)+sinTh*(ppz-czz) + cxx; 
          ppz = -sinTh*(i*mag-cxx)+cosTh*(ppz-czz) + czz;

          pxBox[ip] = (int)(ppx)+gbx;
          pyBox[ip] = (int)(ppy)+gby;
          ip += 1;
        }
      }
    }
    gOff.setColor(Color.gray);
    for (i=0; i<12; i++) {
      i1= boxp[i][0]; i2= boxp[i][1];
      if (i1==0) {
        gOff.setColor(Color.gray);
        gOff.drawLine(pxBox[i1],pyBox[i1],pxBox[i2],pyBox[i2]);
      }
    }
  }

  void boxPlot2() {
    int i,i1,i2;

    for (i=0; i<12; i++) {
      i1= boxp[i][0]; i2= boxp[i][1];
      if (i1 != 0) {
        gOff.setColor(Color.black);
        gOff.drawLine(pxBox[i1],pyBox[i1],pxBox[i2],pyBox[i2]);
      }
    }
  }


/*-------------------------- statistics ----------*/

  double norm() {
    int i,j,k;
    double p;

    p = 0.0;
    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          p += (phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k])*dx*dy*dz;
        }
      }
    }
    return ( p );
  }

  double meanPotential() {
    int i,j,k;
    double p;

    p = 0.0;
    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          p += vv[i][j][k]*(phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k])*dx*dy*dz;
        }
      }
    }
    return ( p );
  }

  double meanKinetic() {
    int i,j,k;
    int ip,im,jp,jm,kp,km;
    double p,d2phRe,d2phIm,h2;

    h2 = dx*dx;
    p = 0.0;
    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          ip = i+1; if (ip>NNx-1) ip = 0;
          im = i-1; if (im<0) im = NNx-1;
          jp = j+1; if (jp>NNy-1) jp = 0;
          jm = j-1; if (jm<0) jm = NNy-1;
          kp = k+1; if (kp>NNz-1) kp = 0;
          km = k-1; if (km<0) km = NNz-1;
          d2phRe = (phRe[ip][j][k]+phRe[im][j][k]+phRe[i][jp][k]+phRe[i][jm][k]+phRe[i][j][kp]+phRe[i][j][km]-6.0*phRe[i][j][k])/h2;
          d2phIm = (phIm[ip][j][k]+phIm[im][j][k]+phIm[i][jp][k]+phIm[i][jm][k]+phIm[i][j][kp]+phIm[i][j][km]-6.0*phIm[i][j][k])/h2;
          p += (phRe[i][j][k]*d2phRe+phIm[i][j][k]*d2phIm);
        }
      }
    }
    return ( -0.5*p*dx*dy*dz );
  }

  void setsrh() {
    int i,j,k,m;
    double s;

    for (i=0;i<NNr;i++) {
      srh[i] = Math.random();
    }

    for (i=0;i<NNr;i++) {
      for (j=0;j<NNr-1;j++) {
        if (srh[j]>srh[j+1]) {
          s = srh[j+1]; srh[j+1] = srh[j]; srh[j] = s;
        }
      }
    }

    m = 0;
    s = 0.0;
    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          s += (phRe[i][j][k]*phRe[i][j][k]+phIm[i][j][k]*phIm[i][j][k])*dx*dy*dz;
          while (s>srh[m] && m<NNr) {
            xptr[m] = i; yptr[m] = j; zptr[m] = k;
		    m +=1;
          }
        }
      }
    }
  }

/*-------------------------- set initial condition ----------*/

  void setInitialCondition() {
    t = 0.0;
    setWave(1.0,1.0,1.0, 0.25, px0, py0,pz0);
    setPotential();
  }

/* ----------------------------- set potential -------------- */

  void setPotential() {
    int i,j,k;
    double x,y,z;
    double vWall;

    vWall = 10000.0;

    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          x = i*dx;
          y = j*dy;
          z = k*dz;
          vv[i][j][k] = 0.0;

        }
      }
    }

    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        vv[i][j][0] = vWall;
        vv[i][j][NNz-1] = vWall;
      }
    }
    for (i=0;i<NNx;i++) {
      for (k=0;k<NNz;k++) {
        vv[i][0][k] = vWall;
        vv[i][NNy-1][k] = vWall;
      }
    }
    for (j=0;j<NNy;j++) {
      for (k=0;k<NNz;k++) {
        vv[0][j][k] = vWall;
        vv[NNx-1][j][k] = vWall;
      }
    }

  }


/* ----------------------------- set wave packet -------------- */

  void setWave(double xPos, double yPos, double zPos, double waveWidth, double kx, double ky, double kz) {
    int i,j,k;
    double a,x,y,z,r,phAb,phPh;

    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          x = i*dx;
          y = j*dy;
          z = k*dz;
          phAb = Math.exp(-((x-xPos)*(x-xPos)+(y-yPos)*(y-yPos)+(z-zPos)*(z-zPos))/(4.0*waveWidth*waveWidth) );
          phPh = kx*x+ky*y+kz*z;
          phRe[i][j][k] = phAb*Math.cos(phPh);
          phIm[i][j][k] = phAb*Math.sin(phPh);
        }
      }
    }

    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        phRe[i][j][0] = 0.0;
        phIm[i][j][0] = 0.0;
        phRe[i][j][NNz-1] = 0.0;
        phIm[i][j][NNz-1] = 0.0;
      }
    }
    for (i=0;i<NNx;i++) {
      for (k=0;k<NNz;k++) {
        phRe[i][0][k] = 0.0;
        phIm[i][0][k] = 0.0;
        phRe[i][NNy-1][k] = 0.0;
        phIm[i][NNy-1][k] = 0.0;
      }
    }
    for (j=0;j<NNy;j++) {
      for (k=0;k<NNz;k++) {
        phRe[0][j][k] = 0.0;
        phIm[0][j][k] = 0.0;
        phRe[NNx-1][j][k] = 0.0;
        phIm[NNx-1][j][k] = 0.0;
      }
    }

    a = Math.sqrt(norm());
	
    for (i=0;i<NNx;i++) {
      for (j=0;j<NNy;j++) {
        for (k=0;k<NNz;k++) {
          phRe[i][j][k] = phRe[i][j][k]/a;
          phIm[i][j][k] = phIm[i][j][k]/a;
        }
      }
    }

  }

/* ----------------------------- timeEvolution -------------- */

  void timeEvolution() {
    int i;

    if (started==1) {
      for (i=0; i<2; i++) {
        t = t + dt;
        phaseStep();
        kxStep();
        kyStep();
        kzStep();
        phaseStep();
      }
    }
  }

/* ----------------------------- time step -------------- */

  void kxStep() {
    int i,j,k;

    for(j=0;j<NNy;j++){
      for(k=0;k<NNz;k++){
        for(i=0;i<NNx-1;i+=2){
         substepX(i,i+1,j,k);
        }
        for(i=1;i<NNx-1;i+=2){
          substepX(i,i+1,j,k);
        }
        substepX(NNx-1,0,j,k);

        substepX(NNx-1,0,j,k);
        for(i=1;i<NNx-1;i+=2){
          substepX(i,i+1,j,k);
        }
        for(i=0;i<NNx-1;i+=2){
          substepX(i,i+1,j,k);
        }
      }
    }
  } 

  void substepX(int i,int i2, int j, int k) {
    double xRe,xIm,yRe,yIm,wRe,wIm,zRe,zIm;

    xRe = phRe[i][j][k]; xIm = phIm[i][j][k];
    yRe = phRe[i2][j][k]; yIm = phIm[i2][j][k];
    wRe = alphaXRe*xRe-alphaXIm*xIm; wIm = alphaXRe*xIm+alphaXIm*xRe;
    zRe = betaXRe*yRe-betaXIm*yIm; zIm = betaXRe*yIm+betaXIm*yRe;
    phRe[i][j][k] = wRe + zRe; phIm[i][j][k] = wIm + zIm;
    wRe = alphaXRe*yRe-alphaXIm*yIm; wIm = alphaXRe*yIm+alphaXIm*yRe;
    zRe = betaXRe*xRe-betaXIm*xIm; zIm = betaXRe*xIm+betaXIm*xRe;
    phRe[i2][j][k] = wRe + zRe; phIm[i2][j][k] = wIm + zIm;

  }

  void kyStep() {
    int i,j,k;

    for(i=0;i<NNy;i++){
      for(k=0;k<NNz;k++){
        for(j=0;j<NNy-1;j+=2){
         substepY(i,j,j+1,k);
        }
        for(j=1;j<NNy-1;j+=2){
          substepY(i,j,j+1,k);
        }
        substepY(i,NNy-1,0,k);

        substepY(i,NNy-1,0,k);
        for(j=1;j<NNy-1;j+=2){
          substepY(i,j,j+1,k);
        }
        for(j=0;j<NNy-1;j+=2){
          substepY(i,j,j+1,k);
        }
      }
    }
  } 

  void substepY(int i,int j, int j2, int k) {
    double xRe,xIm,yRe,yIm,wRe,wIm,zRe,zIm;

    xRe = phRe[i][j][k]; xIm = phIm[i][j][k];
    yRe = phRe[i][j2][k]; yIm = phIm[i][j2][k];
    wRe = alphaYRe*xRe-alphaYIm*xIm; wIm = alphaYRe*xIm+alphaYIm*xRe;
    zRe = betaYRe*yRe-betaYIm*yIm; zIm = betaYRe*yIm+betaYIm*yRe;
    phRe[i][j][k] = wRe + zRe; phIm[i][j][k] = wIm + zIm;
    wRe = alphaYRe*yRe-alphaYIm*yIm; wIm = alphaYRe*yIm+alphaYIm*yRe;
    zRe = betaYRe*xRe-betaYIm*xIm; zIm = betaYRe*xIm+betaYIm*xRe;
    phRe[i][j2][k] = wRe + zRe; phIm[i][j2][k] = wIm + zIm;

  }

  void kzStep() {
    int i,j,k;

    for(i=0;i<NNx;i++){
      for(j=0;j<NNy;j++){
        for(k=0;k<NNz-1;k+=2){
         substepZ(i,j,k,k+1);
        }
        for(k=1;k<NNz-1;k+=2){
          substepZ(i,j,k,k+1);
        }
        substepZ(i,j,NNz-1,0);

        substepZ(i,j,NNz-1,0);
        for(k=1;k<NNz-1;k+=2){
          substepZ(i,j,k,k+1);
        }
        for(k=0;k<NNz-1;k+=2){
          substepZ(i,j,k,k+1);
        }
      }
    }
  } 

  void substepZ(int i,int j, int k, int k2) {
    double xRe,xIm,yRe,yIm,wRe,wIm,zRe,zIm;

    xRe = phRe[i][j][k]; xIm = phIm[i][j][k];
    yRe = phRe[i][j][k2]; yIm = phIm[i][j][k2];
    wRe = alphaZRe*xRe-alphaZIm*xIm; wIm = alphaZRe*xIm+alphaZIm*xRe;
    zRe = betaZRe*yRe-betaZIm*yIm; zIm = betaZRe*yIm+betaZIm*yRe;
    phRe[i][j][k] = wRe + zRe; phIm[i][j][k] = wIm + zIm;
    wRe = alphaZRe*yRe-alphaZIm*yIm; wIm = alphaZRe*yIm+alphaZIm*yRe;
    zRe = betaZRe*xRe-betaZIm*xIm; zIm = betaZRe*xIm+betaZIm*xRe;
    phRe[i][j][k2] = wRe + zRe; phIm[i][j][k2] = wIm + zIm;

  }

  void phaseStep() {
    int i,j,k;
    double th,cs,sn,phr,phi;

    for (i=0; i<NNx; i++) {
      for (j=0; j<NNy; j++) {
        for (k=0; k<NNz; k++) {
          th = 0.5*dt*vv[i][j][k];
          cs = Math.cos(th); sn = Math.sin(th);
          phr = phRe[i][j][k];
          phi = phIm[i][j][k];
          phRe[i][j][k] = cs*phr+sn*phi;
          phIm[i][j][k] = cs*phi-sn*phr;
        }
      }
    }
  }

/* ----------------------------- end of applet -------------- */

}