/* H-like atom - 4th-order laplacian - steepest descent 3D */
/* coded by Ikeuchi Mitsuru     */
/* ver 0.0.1   2005.04.29       */

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

public class periodicO4SD3D extends Applet
  implements MouseListener, MouseMotionListener,
    ItemListener, ActionListener, AdjustmentListener, Runnable {

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

  Choice ch_obj, ch_md;
  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 = 1;
  int dispObj = 0;
  double px0 = 0.0;
  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 = 16.0/32.0;
  double dy = 16.0/32.0;
  double dz = 16.0/32.0;
  double dt = 1.0*(dx*dx);

  int NNx = 32+1;
  int NNy = 32+1;
  int NNz = 32+1;
  int NN = NNx+1; /* max(NNx,NNy,NNz)+1 */
  int NNr = 500;

  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}
  };

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


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

  double sdEnergy[] = new double[20];
  double sdState[][][][] = new double[20][NNx][NNy][NNz];
  double wrk[][][] = new double[NNx][NNy][NNz];

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

  public void init() {

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

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

    ch_obj = new Choice();
	ch_obj.addItem("ph-0");ch_obj.addItem("ph-1");ch_obj.addItem("ph-2");
    ch_obj.addItem("ph-3");ch_obj.addItem("ph-4");
    ch_obj.addItemListener(this);
    ch_obj.select("ph-0");

    ch_md = new Choice();
	ch_md.addItem("density");ch_md.addItem("phase");
	ch_md.addItem("grid");ch_md.addItem("V");
    ch_md.addItemListener(this);
    ch_md.select("phase");

    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,50,10,0,110);
    spx.addAdjustmentListener(this);

    spy= new Scrollbar(Scrollbar.HORIZONTAL,0,10,0,110);
    spy.addAdjustmentListener(this);

    spz= new Scrollbar(Scrollbar.HORIZONTAL,0,10,0,110);
    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(ch_obj);
    pnl.add(new Label("  "));
    pnl.add(ch_md);
    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() == ch_obj){
      dispObj = ch_obj.getSelectedIndex();
    } else if (ev.getSource() == ch_md){
      dispMode = ch_md.getSelectedIndex();
    }
  }

  public void actionPerformed(ActionEvent ev){
    if(ev.getSource() == bt_reset){ 
      started = -1;
    } 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 i,gb;
    double ev,ek;
    double dens;

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

    dens = 1000.0;

	if (dispMode==0) {

      boxPlot();
      dens3DPlotSD(dens,0,dispObj);
      boxPlot2();

    } else if (dispMode==1) {

      boxPlot();
      dens3DPlotSD(dens,1,dispObj);
      boxPlot2();

    } else if (dispMode==2) {

      gridFnPlot(sdState[dispObj], NNz/2, 50.0);

    } else if (dispMode==3) {

      gridFnPlot(vv, NNz/2, 10.0);

    } else if (dispMode==4) {

      ;

    }

    gOff.setColor(Color.black);
    gOff.drawString("4th-order laplacian SD3D",30,40);
    gOff.drawString("object",630/6*3+10,40);
    gOff.drawString("view",630/6*5+10,40);

    gb = 400;
    gOff.setColor(Color.black);
    gOff.drawString("box="+(int)(NNx*dx)+"x"+ +(int)(NNy*dy)+"x"+(int)(NNz*dz)+" au",gb,60);
    gOff.drawString("V(r)=-1.0/r (r>=0.25)",gb,100);
    gOff.drawString("		= -4.0 (r<0.25)",gb,120);

    gOff.setColor(Color.blue);
    for (i=0; i<5; i++) {
      gOff.drawString("E["+i+"]="+(float)(sdEnergy[i])+"",gb,160+20*i);
	}
  }

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

  void dens3DPlotSD(double weight,int mode, int istate) {
    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 = 6.0;
    cxx = mag*(NNx/2.0); 
    cyy = mag*(NNy/2.0);
    czz = mag*(NNz/2.0);

    for (i=1; i<NNx-1; i+=1) {
      for(j=1; j<NNy-1; j +=1) {
        for (k=1; k<NNz-1; k+=1) {
/*
          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;
            ir = 2;
            ix = (int)(ppx)+gbx;
            iy = (int)(ppy)+gby;
            gOff.setColor(Color.getHSBColor(0.33f, 0.9f,0.9f));
            gOff.fillOval(ix-ir/2,iy-ir/2,ir,ir);
          }
*/
          dens = 1.0*sdState[istate][i][j][k]*sdState[istate][i][j][k];
          ir = (int)(weight*dens+0.5);
          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;
            col = 0.0;
            if (mode==0) {
              col = 0.66 -0.05*dens;
              if (col<0.0) {
                col = 0.0;
              }
            } else if (mode==1) {
              if (sdState[istate][i][j][k]>=0) {
                col = 0.33;
              } else {
                col = 0.01;
              }
            }
			
            gOff.setColor(Color.getHSBColor((float)col, 0.9f,0.9f));
            gOff.fillOval(ix-ir/2,iy-ir/2,ir,ir);
          }
        }
      }
    }

  }


  void gridFnPlot(double fn[][][], int zPos, double weight) {
    int i,j,k,gbx,gby;
    int cx,cy,cz;
    double z,px,py,pz,sc;
    double ph2;

    cx = NNx/2;
    cy = NNy/2;
    cz = 0;
    sc = 8.0;

    gbx = 30+(int)(cx/sc);
    gby = 20+(int)(cy/sc);
    k = zPos;

    for(j=0; j<NNy; j += 1) {
      for (i=0; i<NNx; i++) { 
        z = weight*fn[i][j][k] + 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;
      }
      for (i=0; i<NNx-1; i++) {
        gOff.setColor(Color.getHSBColor(0.66f,0.6f,0.9f));
        gOff.drawLine(xpts[i],ypts[i],xpts[i+1],ypts[i+1]);
      }
    }

    for(i=0; i<NNx; i += 1) {
      for (j=0; j<NNy; j++) {
        z = weight*fn[i][j][k] + 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;
      }
      for (j=0; j<NNy-1; j++) { 
        gOff.setColor(Color.getHSBColor(0.66f,0.6f,0.9f));
        gOff.drawLine(xpts[j],ypts[j],xpts[j+1],ypts[j+1]);
      }
    }
  }


  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 = 6.0;
    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]);
      }
    }
  }

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

  void setInitialCondition() {

    t = 0.0;

    setPotential(8.0,8.0,8.0);

    initSD(5);
  }

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

  void setPotential(double x0,double y0,double z0) {
    int i,j,k;
    double x,y,z,r;

    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;
          r = Math.sqrt((x-x0)*(x-x0)+(y-y0)*(y-y0)+(z-z0)*(z-z0));
          if (r<0.25) {
            r = 0.25;
          }
          vv[i][j][k] = -1.0/r;

        }
      }
    }
  }

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

  void timeEvolution() {
    int i;

    if (started==-1) {
      t = 0.0;
      setInitialCondition();
      started = 0;
    } else if (started==1) {

      SD(5, vv, 10, 0.05);
      sortState(5);
    }
  }


  void sortState(int maxState){
    int ist,i,j,k;
    double w;

    for (ist=0; ist<maxState-1; ist++) {
      if (sdEnergy[ist]>sdEnergy[ist+1]+0.001) {
        for (i=0;i<NNx;i++) {
          for (j=0;j<NNy;j++) {
            for (k=0;k<NNz;k++) {
			   w = sdState[ist][i][j][k];
               sdState[ist][i][j][k] = sdState[ist+1][i][j][k];
			   sdState[ist+1][i][j][k] = w;
            }
          }
        }
        w = sdEnergy[ist]; sdEnergy[ist]= sdEnergy[ist+1]; sdEnergy[ist+1]= w;
      }
    }

  }

/* ----------------- Gram-Schmidt --------- */

  void GramSchmidt(int stateMax) {
    int i,j,k,ist,istate;
    double s;

    normalize(sdState[0]);

    for (istate=1; istate<stateMax; istate++) {
      for (ist=0; ist<istate; ist++) {
        s = innerProduct(sdState[ist],sdState[istate]);
        for (i=0; i<NNx; i++) {
          for (j=0; j<NNy; j++) {
            for (k=0; k<NNz; k++) {
              sdState[istate][i][j][k] -= s*sdState[ist][i][j][k];
			}
          }
        }
      }
      normalize(sdState[istate]);
    }
  }

  double innerProduct(double f[][][],double g[][][]) {
    int i,j,k;
    double s;

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

  void normalize(double ph[][][]) {
    int i,j,k;
    double s,a;

    s = 0.0;
    for (i=0; i<NNx; i++) {
      for (j=0; j<NNy; j++) {
        for (k=0; k<NNz; k++) {
          s += ph[i][j][k]*ph[i][j][k]*dx*dy*dz;
        }
      }
    }
    a = Math.sqrt(1.0/s);
    for (i=0; i<NNx; i++) {
      for (j=0; j<NNy; j++) {
        for (k=0; k<NNz; k++) {
          ph[i][j][k] = a*ph[i][j][k];
        }
      }
    }
  }

/* --------------------- steepest descent method -------------- */

  void SD(int stateMax, double v[][][], int iterMax, double dump) {
    int i,ist;

    for (i=0; i<iterMax; i++) {
	  for (ist=0; ist<stateMax; ist++) {
        sdEnergy[ist] = steepestDescentO4(sdState[ist], v, dump);
      }
	  GramSchmidt(stateMax);
    }
  }

  void initSD(int stateMax) {
    int i,j,k,ist;
    double pai = 3.14159265;

    for (ist=0; ist<stateMax; ist++) {
      for (i=0; i<NNx; i++) {
        for (j=0; j<NNy; j++) {
          for (k=0; k<NNz; k++) {
            sdState[ist][i][j][k] = Math.random()-0.5;
          }
        }
      }
	  normalize(sdState[ist]);
    }
  }

/*
  double steepestDescent(double psi[][][], double v[][][], double dump) {
    int i,j,k,ip,im,jp,jm,kp,km;
    double h2,ei;

    h2 = 2.0*dx*dx;
    ei = energyOf(psi,vv);
    for (i=0; i<NNx; i++) {
      ip = i+1; if (ip>=NNx) ip = 0;
      im = i-1; if (im<0) im = NNx-1;
      for (j=0; j<NNy; j++) {
        jp = j+1; if (jp>=NNy) jp = 0;
        jm = j-1; if (jm<0) jm = NNy-1;
        for (k=0; k<NNz; k++) {
          kp = k+1; if (kp>=NNz) kp = 0;
          km = k-1; if (km<0) km = NNz-1;
          wrk[i][j][k] = (6.0*psi[i][j][k]-psi[ip][j][k]-psi[im][j][k]-psi[i][jp][k]-psi[i][jm][k]-psi[i][j][kp]-psi[i][j][km])/h2 + (v[i][j][k]-ei)*psi[i][j][k];
        }
      }
    }
    for (i=0; i<NNx; i++) {
      for (j=0; j<NNy; j++) {
        for (k=0; k<NNz; k++) {
          psi[i][j][k] = psi[i][j][k]-dump*wrk[i][j][k];
        }
      }
    }
    normalize(psi);
    return (ei);
  }

  double energyOf(double psi[][][], double v[][][]) {
    int i,j,k,ip,im,jp,jm,kp,km;
    double h2,s,sn;

    h2 = 2.0*dx*dx;
    s = 0.0; sn=0.0;
    for (i=0; i<NNx; i++) {
      ip = i+1; if (ip>=NNx) ip = 0;
      im = i-1; if (im<0) im = NNx-1;
      for (j=0; j<NNy; j++) {
        jp = j+1; if (jp>=NNy) jp = 0;
        jm = j-1; if (jm<0) jm = NNy-1;
        for (k=0; k<NNz; k++) {
          kp = k+1; if (kp>=NNz) kp = 0;
          km = k-1; if (km<0) km = NNz-1;
          s += psi[i][j][k]*((6.0*psi[i][j][k]-psi[ip][j][k]-psi[im][j][k]-psi[i][jp][k]-psi[i][jm][k]-psi[i][j][kp]-psi[i][j][km])/h2 + v[i][j][k]*psi[i][j][k])*dx*dy*dz;
          sn += psi[i][j][k]*psi[i][j][k]*dx*dy*dz;
        }
      }
    }
    return ( s/sn );
  }
*/

/* ---------------------4th-order laplacian SD3D -------------- */

  double steepestDescentO4(double psi[][][], double v[][][], double dump) {
    int i,ip,ip2,im,im2,j,jp,jp2,jm,jm2,k,kp,kp2,km,km2;
    double h2,ei;

    h2 = 12.0*2.0*dx*dx;
    ei = energyO4Of(psi,vv);
    for (i=0; i<NNx; i++) {
      ip = (i+1)%NNx; ip2=(i+2)%NNx; im = (i+NNx-1)%NNx; im2 = (i+NNx-2)%NNx;
      for (j=0; j<NNy; j++) {
        jp = (j+1)%NNy; jp2=(j+2)%NNy; jm = (j+NNy-1)%NNy; jm2 = (j+NNy-2)%NNy;
        for (k=0; k<NNz; k++) {
          kp = (k+1)%NNz; kp2=(k+2)%NNz; km = (k+NNz-1)%NNz; km2 = (k+NNz-2)%NNz;
          wrk[i][j][k] = (90.0*psi[i][j][k]-16.0*psi[ip][j][k]-16.0*psi[im][j][k]-16.0*psi[i][jp][k]-16.0*psi[i][jm][k]-16.0*psi[i][j][kp]-16.0*psi[i][j][km]+psi[ip2][j][k]+psi[im2][j][k]+psi[i][jp2][k]+psi[i][jm2][k]+psi[i][j][kp2]+psi[i][j][km2])/h2 + (v[i][j][k]-ei)*psi[i][j][k];
        }
      }
    }
    for (i=0; i<NNx; i++) {
      for (j=0; j<NNy; j++) {
        for (k=0; k<NNz; k++) {
          psi[i][j][k] = psi[i][j][k]-dump*wrk[i][j][k];
        }
      }
    }
    normalize(psi);
    return (ei);
  }

  double energyO4Of(double psi[][][], double v[][][]) {
    int i,ip,ip2,im,im2,j,jp,jp2,jm,jm2,k,kp,kp2,km,km2;
    double h2,s,dxyz;

    h2 = 12.0*2.0*dx*dx;
	dxyz = dx*dy*dz;
    s = 0.0;
    for (i=0; i<NNx; i++) {
      ip = (i+1)%NNx; ip2=(i+2)%NNx; im = (i+NNx-1)%NNx; im2 = (i+NNx-2)%NNx;
      for (j=0; j<NNy; j++) {
        jp = (j+1)%NNy; jp2=(j+2)%NNy; jm = (j+NNy-1)%NNy; jm2 = (j+NNy-2)%NNy;
        for (k=0; k<NNz; k++) {
          kp = (k+1)%NNz; kp2=(k+2)%NNz; km = (k+NNz-1)%NNz; km2 = (k+NNz-2)%NNz;
          s += psi[i][j][k]*((90.0*psi[i][j][k]-16.0*psi[ip][j][k]-16.0*psi[im][j][k]-16.0*psi[i][jp][k]-16.0*psi[i][jm][k]-16.0*psi[i][j][kp]-16.0*psi[i][j][km]+psi[ip2][j][k]+psi[im2][j][k]+psi[i][jp2][k]+psi[i][jm2][k]+psi[i][j][kp2]+psi[i][j][km2])/h2 + v[i][j][k]*psi[i][j][k])*dxyz;
        }
      }
    }
    return ( s );
  }

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

}