Sample JAVA program to visualize the electrons of Bohr model CH4 (2nd version).

Back to the C-C bond page
Top page ( correct Bohr model including the two electron atom )

This program is a little long. So if you copy and paste the below program source code into a text editor, you can easily compile and run this.
This program's class file name is methan22, so save this text editor as "methan22.java", and compile it.

In this program, nuclei are gray circles.
Each particle is shown on the x-y (left), x-z (center) and y-z (right) planes.
Here we use the new units, ( 1 MM = 10-14 meter).
Each coordinate of electrons (+X (MM), +Y (MM), +Z (MM)) in the text box means "relative" position from these nuclei.
(ele 0-3 are from carbon nucleus, ele 4 is from hydrogen nucleus 0 (H0), ele5 is from H1, ele6 is from H2, and ele 7 is from H3.)
You can change the coordinate (+X, +Y, +Z) of only electron 4 (ele4).
(Enter the values into the textbox of ele4, and press the Enter key.)
"nuc (MM)" means the distance between these nuclei and electrons.
V (eV) and T (eV) means the potential, and kinetic energies of each electron.
tV (eV) is the total potential energy.
CF of ele0-3 means the force toward the center, CF of ele4-7 means the force toward each C-H line.
(fx, fy, fz) means force components other than CF.
(FX, FY, FZ) means the force component acting on each nucleus.
Cn means the force component acting on each H nucleus toward the C nucleus.
(In this program, the informations of only two nuclei (H0 and H2) are shown.)
Waves (wn) is number of de Broglie's waves contained in one orbit.


import java.awt.*;
import java.awt.event.*;
import javax.swing.*;
import java.util.Scanner;
public class methan22 extends JPanel   // virial theorem of CH4 (second version)
 {
  public static void main(String arg[])
 {
   JFrame frame = new JFrame("CH4 (methane) -2");         // set frame
   J2DPanel j2dpanel = new J2DPanel();
   frame.getContentPane().add(j2dpanel); frame.setSize(1180,700);
   frame.setVisible(true); frame.setBackground(Color.black);
   frame.setDefaultCloseOperation(JFrame.EXIT_ON_CLOSE);  
  }
  }
 class J2DPanel extends JPanel implements ActionListener
  {
    
    double pai=3.141592653589793; double epsi=8.85418781787346e-12;
   double h=6.62606896e-34; double elc=1.60217653e-19;
   double me=9.1093826e-31;  double suh=5200.0*5200.0; // suh=(Bohr radius)^2
 
      // textboxes:  elp[0-7][]=electrons, mmpho[0-2][]=C,H0,H2 nuclei, impho=total V (eV)  

    JTextField elp[][]=new JTextField[8][11];  JTextField impho=new JTextField(7); 
    JTextField mmpho[][]=new JTextField[3][4];   
     
     
    double rtw=Math.sqrt(2); double rth=Math.sqrt(3); 
    double rsi=Math.sqrt(6); double rfi=Math.sqrt(5);  
    double hpr[][]=new double[8][11];  double den=4.23;   // den= central positive charge 
    double hpr2[][]=new double[8][11];                  // hpr=each electron's parameters

    double hen3=10900.0;                         // 10900 = C-H distance (MM)
    double hen1=(hen3*rsi)/3; double hen2=hen1/rtw; double cka=12500.0;

                                               // nux[0][0-2]=coordinates of C nucleus
                                               // nux[1][0-2]=coordinates of H0 nucleus
                                               // nux[2][0-2]=coordinates of H1 nucleus
                                               // nux[3][0-2]=coordinates of H2 nucleus
                                               // nux[4][0-2]=coordinates of H3 nucleus
    double nux[][]={{cka,cka,cka}, {cka+hen1, cka, cka+hen2}, {cka-hen1, cka, cka+hen2},
    {cka, cka+hen1, cka-hen2},{cka, cka-hen1, cka-hen2}}; 
                                                     
                                               // te1=initial coordinates of eight electrons
    double ina1=5260.426; double ina2=ina1/rtw; 


    double te1[][]={{ -ina1, 0, -ina2},{ina1, 0, -ina2},
    {0, -ina1, ina2},{0, ina1,  ina2},  
    {-838, -3530, -2000}, {837, 3530, -2000}, 
    {3530, -838, 2000}, {-3530, 837, 2000}};

  public J2DPanel()
 {
  setBackground(Color.black);
  JPanel p=new JPanel();
  p.setLayout(new GridLayout(11,12));
  int aaa=0; 
                               
  for (int el=0; el <=7; el++) {   
  for (int pos=0; pos <=2; pos++) {  // hpr[][0-2]=each electron's coordinate
  elp[el][pos]=new JTextField(7);      
                      // we can input the values only in electron 4's textboxes
  if (el==4) {elp[el][pos].addActionListener(this);}
  hpr[el][pos]=0.0;      
  }}
                                   
   for (int el=0; el <=7; el++) {
  for (int pos=3; pos <=10; pos++) {  // hpr[][3-10]=electron's other parameters
  elp[el][pos]=new JTextField(7);     
  hpr[el][pos]=0.0; 
  }}

   for (int el=0; el <=2; el++) {    // mmpho[0-2][]=C, H0 and H2 nuc's parameters
   for (int pos=0; pos <=3; pos++) {
    mmpho[el][pos]=new JTextField(7);
   }}

                                        // layout
  String sihy[]={"eNo ", "+X(MM)", "+Y(MM)", "+Z(MM)", "nuc(MM)", 
   "V(eV)", "T(eV)", "Force", "fx ", "fy", "fz", "Waves"};
  for (int el=0; el <=11; el++) {
   p.add(new Label(sihy[el]));
  }
 
  for (int el=0; el <=7; el++) {  
  if (el != 4) {     
  p.add(new Label("  "+el+" "));}
  if (el==4) {p.add(new Label("ele 4"));}     
  for (int pos=0; pos <=10; pos++) {
  p.add(elp[el][pos]);
  }}

   p.add(new Label("C nuc "));
  for (int pos=0; pos <=3; pos++) {
  p.add(mmpho[0][pos]);  
  }
   p.add(new Label("H0nuc "));
  for (int pos=0; pos <=3; pos++) {
  p.add(mmpho[1][pos]);
  }
   for (int pos=0; pos <=1; pos++) {
  p.add(new Label(" -- "));
    }
  p.add(new Label("H2nuc "));
  for (int pos=0; pos <=3; pos++) {
  p.add(mmpho[2][pos]);
  }

  p.add(impho); 
  for (int pos=0; pos <=5; pos++) {
  p.add(new Label(" -- "));
    }

  add(p,"South");
  
   for (int el=0; el <=7; el++) {
   double nnuc=Math.sqrt(te1[el][0]*te1[el][0]+te1[el][1]*te1[el][1]+te1[el][2]*te1[el][2]);
   aaa=(int)(nnuc);
   elp[el][3].setText("nuc "+Integer.toString(aaa)); // show distance between nuclei and electrons 
    for (int jou=0; jou <=2; jou++) {
    hpr[el][jou]=te1[el][jou]; 
    if (el < 4) {hpr[el][jou]=hpr[el][jou]+nux[0][jou];}
     if (el==4) {hpr[el][jou]=hpr[el][jou]+nux[1][jou];}
      if (el==5) {hpr[el][jou]=hpr[el][jou]+nux[2][jou];}
      if (el==6) {hpr[el][jou]=hpr[el][jou]+nux[3][jou];}
      if (el==7) {hpr[el][jou]=hpr[el][jou]+nux[4][jou];}
    elp[el][jou].setText(Integer.toString((int)(te1[el][jou])));
     }}
  }     // public J2DPanel() end
 

  public void actionPerformed(ActionEvent e) {  
    String ss;
    int RR=0; double Rf1,Rf2; int teis=0;

     for (int el=0; el <=3; el++) {
    for (int jou=0; jou <=2; jou++) {
    hpr[el][jou]=te1[el][jou]; 
    hpr[el][jou]=hpr[el][jou]+nux[0][jou];
     
    elp[el][jou].setText(Integer.toString((int)(te1[el][jou])));
     }}
    

   teis=0;
                                           // when electron's 4 positions change
    for (int sws=0; sws <=2; sws++) {             
    ss=elp[4][sws].getText(); Rf1=Double.parseDouble(ss);
                                      // change relative coordinate to absolute coordinate
    Rf2=Rf1+nux[1][sws];     hpr[4][sws]=Rf2;
                               // upper and lower limits of coordinates
    // if (Rf2 > 24999 ) {Rf2=24999; teis=1; hpr[4][sws]=Rf2;}
    if (Rf2 < nux[0][sws] && sws !=1) {Rf2=nux[0][sws]+500.0; teis=1; hpr[4][sws]=Rf2;}
    if (Rf2 < 1) {Rf2=1; teis=1; hpr[4][sws]=Rf2;}
    Rf1=Rf2-nux[1][sws];
    if (teis==1) {elp[4][sws].setText(Integer.toString((int)(Rf1)));}
    }

   repaint();
  }

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

  double kro,krr,krk,kwr,kww,kro2,krr2,krk2,kwr2,kww2,
  pot,pota,potb,potc,potd,gx,gy,gz,ggx,ggy,ggz,ttav,toav;
  int ex,ey,ez,xk,yk,zk; String ww,pyw;
  double rhp[][]= {{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},
  {0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0}};
  double rpp[][]= {{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},
  {0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0},{0,0,0,0,0,0}};
  double mmp[][]={{0,0,0,0,0,0,0,0,0,0,0},{0,0,0,0,0,0,0,0,0,0,0},{0,0,0,0,0,0,0,0,0,0,0}};  
  
  double teqq[][]={{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},
  {0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0}};
  double nuckan=0.0;
  kro2=0.0 ; krr2=0.0; krk2=0.0; kwr2=0.0; kww2=0.0;

                            //---------- calculation each coordinate based on electron  4
  
   hpr[5][0]=-(hpr[4][0]-nux[0][0])+nux[0][0];
   hpr[5][1]=-(hpr[4][1]-nux[0][1])+nux[0][1];
   hpr[5][2]=hpr[4][2];

   hpr[6][0]=-(hpr[4][1]-nux[0][1])+nux[0][0];
   hpr[6][1]=(hpr[4][0]-nux[0][0])+nux[0][1];
   hpr[6][2]=-(hpr[4][2]-nux[0][2])+nux[0][2];

   hpr[7][0]=+(hpr[4][1]-nux[0][1])+nux[0][0];
   hpr[7][1]=-(hpr[4][0]-nux[0][0])+nux[0][1];
   hpr[7][2]=-(hpr[4][2]-nux[0][2])+nux[0][2];


   for (int yp=1; yp <=3; yp++) {        // set hpr [5-7][0-2] = ele 5-7 coordinates 
   for (int kj=0; kj <=2; kj++) { 
   ex=(int)(hpr[4+yp][kj]-nux[1+yp][kj]);
   elp[yp+4][kj].setText(Integer.toString(ex));
   }}

    for (int yp=0; yp <=3; yp++) {        // hpr [0-3][0-2] = ele 0-3 coordinates don't change 
   for (int kj=0; kj <=2; kj++) { 
   ex=(int)(hpr[yp][kj]-nux[0][kj]);
   elp[yp][kj].setText(Integer.toString(ex));
   }}

   double vvh[][]=new double[4][4];

             // calculate hpr2[4-7][] = symmetric positions of ele4-7 with respect to C-H lines
   for (int yp=4; yp <=7; yp++) {   
   for (int kj=0; kj <=2; kj++) { 
    vvh[0][kj]=nux[yp-3][kj]-nux[0][kj]; vvh[1][kj]=hpr[yp][kj]-nux[0][kj];
   }
   vvh[0][3]=Math.sqrt(vvh[0][0]*vvh[0][0]+vvh[0][1]*vvh[0][1]+vvh[0][2]*vvh[0][2]);
   vvh[2][3]=(vvh[1][0]*vvh[0][0]+vvh[1][1]*vvh[0][1]+vvh[1][2]*vvh[0][2])/vvh[0][3];

    for (int kj=0; kj <=2; kj++) {
    vvh[2][kj]=(vvh[0][kj]*vvh[2][3])/vvh[0][3];
    hpr2[yp][kj]=hpr[yp][kj]+2*(vvh[2][kj]-vvh[1][kj]);
    }
    }


    toav=0.0;                // toav=total potential energy

    double ppot;
    for (int yp=0; yp <=3; yp++) {      // interaction between electrons 0-3    
    for (int kj=0; kj <=3; kj++) { 
    if (yp < kj ) {                    // kro=distance between electrons
    kro=Math.sqrt((hpr[yp][0]-hpr[kj][0])*(hpr[yp][0]-hpr[kj][0])+
   (hpr[yp][1]-hpr[kj][1])*(hpr[yp][1]-hpr[kj][1])+
   (hpr[yp][2]-hpr[kj][2])*(hpr[yp][2]-hpr[kj][2]));

   if (kro==0) {kro=5000.0;}          // rhp[][3]=each electron's potential energy
   ppot=(elc*elc*6.241509e18)/(4*pai*epsi*kro*1.0e-14);
   rhp[yp][3]=rhp[yp][3]+ppot/2.0;  rhp[kj][3]=rhp[kj][3]+ppot/2.0;
   toav=toav+ppot;
                                    // teqq[][3]=each electron's V only in carbon atom
   teqq[yp][3]=teqq[yp][3]+ppot/2.0; teqq[kj][3]=teqq[kj][3]+ppot/2.0;
     for (int jou=0; jou <=2; jou++) {
   ggx=(suh*(hpr[yp][jou]-hpr[kj][jou]))/(kro*kro*kro);

                            // rhp[][0-2]=force component of each electron
                           // teqq[][0-2]=force component of electrons only in carbon atom
   rhp[yp][jou]=rhp[yp][jou]+ggx;  rhp[kj][jou]=rhp[kj][jou]-ggx;
   teqq[yp][jou]=teqq[yp][jou]+ggx;  teqq[kj][jou]=teqq[kj][jou]-ggx; 
    }
    }}}

   
    for (int yp=0; yp <=3; yp++) {     // interaction between electron 0-3 and electron 4-7   
    for (int kj=4; kj <=7; kj++) { 

    kro=Math.sqrt((hpr[yp][0]-hpr[kj][0])*(hpr[yp][0]-hpr[kj][0])+
   (hpr[yp][1]-hpr[kj][1])*(hpr[yp][1]-hpr[kj][1])+
   (hpr[yp][2]-hpr[kj][2])*(hpr[yp][2]-hpr[kj][2]));
                           
                   // kro2= distance between ele0-3 and symmetric positions(=hpr2) of ele4-7
      kro2=Math.sqrt((hpr[yp][0]-hpr2[kj][0])*(hpr[yp][0]-hpr2[kj][0])+
   (hpr[yp][1]-hpr2[kj][1])*(hpr[yp][1]-hpr2[kj][1])+
   (hpr[yp][2]-hpr2[kj][2])*(hpr[yp][2]-hpr2[kj][2]));
   if (kro==0) {kro=5000.0;}   if (kro2==0) {kro2=5000.0;}

    ppot=(elc*elc*6.241509e18*0.5*(1.0/kro+1.0/kro2))/(4*pai*epsi*1.0e-14);
   rhp[yp][3]=rhp[yp][3]+ppot/2.0;  rhp[kj][3]=rhp[kj][3]+ppot/2.0;
   toav=toav+ppot;
     for (int jou=0; jou <=2; jou++) {
   ggx=(suh*0.5*(hpr[yp][jou]-hpr[kj][jou]))/(kro*kro*kro);
   ggy=(suh*0.5*(hpr[yp][jou]-hpr2[kj][jou]))/(kro2*kro2*kro2);
   rhp[yp][jou]=rhp[yp][jou]+ggx+ggy;  rhp[kj][jou]=rhp[kj][jou]-ggx*2.0;

                  // rpp[0-3][0-2]=force component of ele0-3 influenced only by C,H0-3 nuc, and ele4-7
   rpp[yp][jou]=rpp[yp][jou]+ggx+ggy;  
    }
    }}

   for (int yp=4; yp <=7; yp++) {      // interaction between electrons 4-7    
    for (int kj=4; kj <=7; kj++) { 
    if (yp < kj ) {
    kro=Math.sqrt((hpr[yp][0]-hpr[kj][0])*(hpr[yp][0]-hpr[kj][0])+
   (hpr[yp][1]-hpr[kj][1])*(hpr[yp][1]-hpr[kj][1])+
   (hpr[yp][2]-hpr[kj][2])*(hpr[yp][2]-hpr[kj][2]));

   if (kro==0) {kro=5000.0;}
   ppot=(elc*elc*6.241509e18)/(4*pai*epsi*kro*1.0e-14);
   rhp[yp][3]=rhp[yp][3]+ppot/2;  rhp[kj][3]=rhp[kj][3]+ppot/2;
   toav=toav+ppot;

     for (int jou=0; jou <=2; jou++) {
   ggx=(suh*(hpr[yp][jou]-hpr[kj][jou]))/(kro*kro*kro);
   rhp[yp][jou]=rhp[yp][jou]+ggx;  rhp[kj][jou]=rhp[kj][jou]-ggx;
    }
    }}}
                                      // interaction between electron and each nucleus
                                 
   for (int rv=0; rv <=7; rv++) {         
                                       // -------------------- C nucleus
   kro=Math.sqrt((hpr[rv][0]-nux[0][0])*(hpr[rv][0]-nux[0][0])+
   (hpr[rv][1]-nux[0][1])*(hpr[rv][1]-nux[0][1])+
   (hpr[rv][2]-nux[0][2])*(hpr[rv][2]-nux[0][2])); kro2=5000.0;
     if (kro == 0) {kro=5000.0;}

                // kro2= distance between C nucleus and symmetric positions(=hpr2) of ele4-7
   if (rv > 3) { kro2=Math.sqrt((hpr2[rv][0]-nux[0][0])*(hpr2[rv][0]-nux[0][0])+
   (hpr2[rv][1]-nux[0][1])*(hpr2[rv][1]-nux[0][1])+
   (hpr2[rv][2]-nux[0][2])*(hpr2[rv][2]-nux[0][2]));
     if (kro2 == 0) {kro2=5000.0;}
    }

    pot =-den/kro;    if (rv > 3) { pot=(-den/kro-den/kro2)*0.5; }   
  
                             // show distance between C nuc and ele 0-3  
                             // teqq[][3]=potential energy of each electron only in carbon atom 
   if (rv < 4) {ex=(int)(kro);  elp[rv][3].setText("nuc "+Integer.toString(ex));
    teqq[rv][3]=teqq[rv][3]+(elc*elc*6.241509e18*pot)/(4*pai*epsi*1.0e-14);
    }
   for (int kj=0; kj <=2; kj++) {
   ggx=(suh*den*(hpr[rv][kj]-nux[0][kj]))/(kro*kro*kro); ggy=0.0;
   rhp[rv][kj]=rhp[rv][kj]-ggx;
  if (rv > 3) {ggx=ggx*0.5; ggy=(suh*den*0.5*(hpr2[rv][kj]-nux[0][kj]))/(kro2*kro2*kro2);}
   mmp[0][kj]=mmp[0][kj]+ggx+ggy;
  
             // mmp[0][0-2]= force component of carbon nucleus
             // rpp[0-3][0-2]=force component of ele0-3 influenced only by C,H0-3 nuc, and ele4-7
             // teqq[][0-2]=force component of each electron only in carbon atom
   if (rv < 4) {rpp[rv][kj]=rpp[rv][kj]-ggx; 
   teqq[rv][kj]=teqq[rv][kj]-ggx;}   
   }

                                       // ----------------------- H0 nucleus
   krr=Math.sqrt((hpr[rv][0]-nux[1][0])*(hpr[rv][0]-nux[1][0])+
    (hpr[rv][1]-nux[1][1])*(hpr[rv][1]-nux[1][1])+
    (hpr[rv][2]-nux[1][2])*(hpr[rv][2]-nux[1][2]));
   if (krr ==0) {krr=5000.0;}
   if (rv > 3) { krr2=Math.sqrt((hpr2[rv][0]-nux[1][0])*(hpr2[rv][0]-nux[1][0])+
   (hpr2[rv][1]-nux[1][1])*(hpr2[rv][1]-nux[1][1])+
   (hpr2[rv][2]-nux[1][2])*(hpr2[rv][2]-nux[1][2]));
     if (krr2 == 0) {krr2=5000.0;}
    }

    pota=-1.0/krr;   if (rv > 3) {pota=(-1.0/krr-1.0/krr2)*0.5; }               

                        // show distance between electron 4 and H0 nucleus
   if (rv==4) {ex=(int)(krr); elp[rv][3].setText("nuc "+Integer.toString(ex));}
   for (int kj=0; kj <=2; kj++) {
   ggx=(suh*(hpr[rv][kj]-nux[1][kj]))/(krr*krr*krr);
   rhp[rv][kj]=rhp[rv][kj]-ggx;

                       // mmp[1][0-2]=force component of H0 nucleus
   if (rv < 4) {mmp[1][kj]=mmp[1][kj]+ggx; }
   if (rv > 3) {mmp[1][kj]=mmp[1][kj]+ggx*0.5+(suh*0.5*(hpr2[rv][kj]-nux[1][kj]))/(krr2*krr2*krr2);}
   if (rv < 4) {rpp[rv][kj]=rpp[rv][kj]-ggx; }
   }

                                     // ---------------------  H1 nucleus
   krk=Math.sqrt((hpr[rv][0]-nux[2][0])*(hpr[rv][0]-nux[2][0])+
   (hpr[rv][1]-nux[2][1])*(hpr[rv][1]-nux[2][1])+
   (hpr[rv][2]-nux[2][2])*(hpr[rv][2]-nux[2][2]));
   if (krk ==0) {krk=5000.0;} 
   if (rv > 3) { krk2=Math.sqrt((hpr2[rv][0]-nux[2][0])*(hpr2[rv][0]-nux[2][0])+
   (hpr2[rv][1]-nux[2][1])*(hpr2[rv][1]-nux[2][1])+
   (hpr2[rv][2]-nux[2][2])*(hpr2[rv][2]-nux[2][2]));
    if (krk2 ==0) {krk2=5000.0;}
    }
    potb=-1.0/krk;   if (rv > 3) {potb=(-1.0/krk-1.0/krk2)*0.5; }               

                          // show distance between electron 5 and H1 nucleus
   if (rv==5) {ex=(int)(krk);  elp[rv][3].setText("nuc "+Integer.toString(ex));}
   for (int kj=0; kj <=2; kj++) {
   ggx=(suh*(hpr[rv][kj]-nux[2][kj]))/(krk*krk*krk); 
   rhp[rv][kj]=rhp[rv][kj]-ggx;
   if (rv < 4) {rpp[rv][kj]=rpp[rv][kj]-ggx;}
   }

                                            // ------------- H2 nucleus
    kwr=Math.sqrt((hpr[rv][0]-nux[3][0])*(hpr[rv][0]-nux[3][0])+
    (hpr[rv][1]-nux[3][1])*(hpr[rv][1]-nux[3][1])+
    (hpr[rv][2]-nux[3][2])*(hpr[rv][2]-nux[3][2]));
   if (kwr ==0) {kwr=5000.0;}
     if (rv > 3) { kwr2=Math.sqrt((hpr2[rv][0]-nux[3][0])*(hpr2[rv][0]-nux[3][0])+
   (hpr2[rv][1]-nux[3][1])*(hpr2[rv][1]-nux[3][1])+
   (hpr2[rv][2]-nux[3][2])*(hpr2[rv][2]-nux[3][2]));
    if (kwr2 ==0) {krk2=5000.0;}
    }

    potc=-1.0/kwr;   if (rv > 3) {potc=(-1.0/kwr-1.0/kwr2)*0.5; } 

                                     // show distance between electron 6 and H2 nucleus
   if (rv==6) {ex=(int)(kwr); elp[rv][3].setText("nuc "+Integer.toString(ex));}
   for (int kj=0; kj <=2; kj++) {
   ggx=(suh*(hpr[rv][kj]-nux[3][kj]))/(kwr*kwr*kwr); 

                                 // mmp[2][0-2]=force component of H2 nucleus
   if (rv < 4) {mmp[2][kj]=mmp[2][kj]+ggx;}
   if (rv > 3) {mmp[2][kj]=mmp[2][kj]+ggx*0.5+(suh*0.5*(hpr2[rv][kj]-nux[3][kj]))/(kwr2*kwr2*kwr2);}
     rhp[rv][kj]=rhp[rv][kj]-ggx;
   if (rv < 4) {rpp[rv][kj]=rpp[rv][kj]-ggx; }
   }

                                    // ----------------------- H3 nucleus
   kww=Math.sqrt((hpr[rv][0]-nux[4][0])*(hpr[rv][0]-nux[4][0])+
   (hpr[rv][1]-nux[4][1])*(hpr[rv][1]-nux[4][1])+
   (hpr[rv][2]-nux[4][2])*(hpr[rv][2]-nux[4][2]));
   if (kww ==0) {kww=5000.0;} 
    if (rv > 3) { kww2=Math.sqrt((hpr2[rv][0]-nux[4][0])*(hpr2[rv][0]-nux[4][0])+
   (hpr2[rv][1]-nux[4][1])*(hpr2[rv][1]-nux[4][1])+
   (hpr2[rv][2]-nux[4][2])*(hpr2[rv][2]-nux[4][2]));
    if (kww2 ==0) {kww2=5000.0;}
    }

    potd=-1.0/kww;    if (rv > 3) {potd=(-1.0/kww-1.0/kww2)*0.5; }        

                                 // show distance between electron 7 and H3 nucleus
   if (rv==7) {ex=(int)(kww);  elp[rv][3].setText("nuc "+Integer.toString(ex));}
   for (int kj=0; kj <=2; kj++) {
   ggx=(suh*(hpr[rv][kj]-nux[4][kj]))/(kww*kww*kww); 
   rhp[rv][kj]=rhp[rv][kj]-ggx;
   if (rv < 4) {rpp[rv][kj]=rpp[rv][kj]-ggx; }
   }

                                // ttav=potential energy between one electron and three nuclei
   ttav= (elc*elc*6.241509e18*(pot+pota+potb+potc+potd))/(4*pai*epsi*1.0e-14);
   
   rhp[rv][3]=rhp[rv][3]+ttav;  toav=toav+ttav;  
   
                             // rhp[0-7][5]=interaction between each electron and other nuclei
   if (rv < 4) {rhp[rv][5]=(elc*elc*6.241509e18*(pota+potb+potc+potd))/(4*pai*epsi*1.0e-14);}
   if (rv == 4) {rhp[rv][5]=(elc*elc*6.241509e18*(pot+potb+potc+potd))/(4*pai*epsi*1.0e-14);}
   if (rv == 5) {rhp[rv][5]=(elc*elc*6.241509e18*(pot+pota+potc+potd))/(4*pai*epsi*1.0e-14);}
   if (rv == 6) {rhp[rv][5]=(elc*elc*6.241509e18*(pot+pota+potb+potd))/(4*pai*epsi*1.0e-14);}
   if (rv == 7) {rhp[rv][5]=(elc*elc*6.241509e18*(pot+pota+potb+potc))/(4*pai*epsi*1.0e-14);}
   }          
  
                                  // hen3=distance between C and H nuclei
  kro=hen3;                       // forc=force between  C and H nuclei
  double forc=(suh*den)/(kro*kro)+(suh*rsi)/(4.0*hen1*hen1);  
  
  for (int rv=0; rv <=1; rv++) {
  for (int kj=0; kj <=2; kj++) {
  mmp[rv+1][kj]=mmp[rv+1][kj]+(forc*(nux[rv*2+1][kj]-nux[0][kj]))/kro;
  }}
                                 
                                    // nuckan=repulsive potential energy between 4 nuclei   
   nuckan=(elc*elc*6.241509e18*((4.0*rsi*den)/(3.0*hen1)+3.0/hen1))/(4*pai*epsi*1.0e-14);
   toav=toav+nuckan;
   ex=(int)(toav*100.0);  ggx=ex/100.0;
   impho.setText("tV "+Double.toString(ggx));      // show total V to two decimal places
    
    for (int rv=0; rv <=3; rv++) {               // show force component of electron 0-3 
                                 // CF=force toward rpp[][0-2] = inner product of rhp anf rpp
    gx=Math.sqrt(rpp[rv][0]*rpp[rv][0]+rpp[rv][1]*rpp[rv][1]+rpp[rv][2]*rpp[rv][2]);
    gy=(rhp[rv][0]*rpp[rv][0]+rhp[rv][1]*rpp[rv][1]+rhp[rv][2]*rpp[rv][2])/gx;
                                           
    ex=(int)(1000*gy); ww="CF ";              
    elp[rv][6].setText(ww+Integer.toString(ex));
    for (int jou=0; jou <=2; jou++) {
    gz=rhp[rv][jou]-(gy*rpp[rv][jou])/gx;     // show force component other than CF
    ex=(int)(1000*gz); 
    elp[rv][jou+7].setText(Integer.toString(ex));
     }
    }

  for (int rv=4; rv <=7; rv++) {               //  show force component of electron 0-3
   for (int jou=0; jou <=2; jou++) {
   vvh[0][jou]=nux[rv-3][jou]-nux[0][jou]; vvh[1][jou]=hpr[rv][jou]-nux[0][jou];
   }
   vvh[0][3]=Math.sqrt(vvh[0][0]*vvh[0][0]+vvh[0][1]*vvh[0][1]+vvh[0][2]*vvh[0][2]);
                         // vvh[2][3] = inner product of vectors vvh[0][] and vvh[1][]
   vvh[2][3]=(vvh[0][0]*vvh[1][0]+vvh[0][1]*vvh[1][1]+vvh[0][2]*vvh[1][2])/vvh[0][3];

   for (int jou=0; jou <=2; jou++) {
    vvh[2][jou]=(vvh[2][3]*vvh[0][jou])/vvh[0][3];
    vvh[3][jou]=vvh[2][jou]-vvh[1][jou];  // vvh[3][0-2]= vector from electron 4-7 to C-H line
   }
    vvh[3][3]=Math.sqrt(vvh[3][0]*vvh[3][0]+vvh[3][1]*vvh[3][1]+vvh[3][2]*vvh[3][2]);

               // gy (CF) = force toward C-H line of electron 4-7 = inner product of rhp and vvh[3]
  gy=(rhp[rv][0]*vvh[3][0]+rhp[rv][1]*vvh[3][1]+rhp[rv][2]*vvh[3][2])/vvh[3][3];
  gx=Math.sqrt(gy*gy); elp[rv][6].setText("CF "+Integer.toString((int)(gx*1000)));
  for (int jou=0; jou <=2; jou++) {
   ggz=rhp[rv][jou]-(vvh[3][jou]*gy)/vvh[3][3]; 
   ex=(int)(1000*ggz);
                              // show force component other than CF
   elp[rv][jou+7].setText(Integer.toString(ex));
   }                                                   
  }

                                            // show force toward C nucleus 
  for (int rv=0; rv <=1; rv++) {
  mmp[rv+1][3]=-(mmp[rv+1][0]*(nux[rv*2+1][0]-nux[0][0])+
  mmp[rv+1][1]*(nux[rv*2+1][1]-nux[0][1])+mmp[rv+1][2]*(nux[rv*2+1][2]-nux[0][2]))/hen3;
   }

    for (int rv=0; rv <=2; rv++) {
    for (int jou=0; jou <=3; jou++) {             // show mmpho[0-2][0-3] 
    ex=(int)(1000*mmp[rv][jou]); ww=" ";
   if (rv==0 && jou > 2) {ex=0;}
   if (jou==0) {ww="FX=";} if (jou==1) {ww="FY=";} 
   if (jou==2) {ww="FZ=";}  if (jou==3 && rv !=0) {ww="Cn=";}  
    mmpho[rv][jou].setText(ww+Integer.toString(ex));
    }}
                                   
  double hiwa=0.0;
  for (int rv=0; rv <=7; rv++) { hiwa=hiwa+rhp[rv][5]; }
  for (int rv=0; rv <=7; rv++) {
                           // distribute repulsive potential energy between 4 nuclei to each electron
  rhp[rv][3]=rhp[rv][3]+(nuckan*rhp[rv][5])/hiwa;
   ex=(int)(100*rhp[rv][3]); ggx=ex/100.0;
   elp[rv][4].setText("V "+Double.toString(ggx));    // show each V to two decimal places
   }
                            
   gy=-toav*0.5;               // gy=total kinetic energy (eV)
                              // distribute kinetic energy to each electron based on rhp[][3] (=V)
   for (int rv=0; rv <=7; rv++) {        
    gz=(gy*rhp[rv][3])/toav; rhp[rv][4]=gz; 
   ex=(int)(100*gz); gz=ex/100.0; elp[rv][5].setText("T "+Double.toString(gz)); 
    }  
                                  
   for (int rv=0; rv <=7; rv++) {         // show de Broglie wave of each electron
                                         // gz = force acting on each electron
   gz=Math.sqrt(rhp[rv][0]*rhp[rv][0]+rhp[rv][1]*rhp[rv][1]+rhp[rv][2]*rhp[rv][2]);
   
    if (rv < 4 ) {                     // teqq[0-3][0-2]= force only in carbon atom in electron 0-3
    gz=Math.sqrt(teqq[rv][0]*teqq[rv][0]+teqq[rv][1]*teqq[rv][1]+teqq[rv][2]*teqq[rv][2]);
     }   
   
   gy=(gz*elc*elc)/(4*pai*epsi*suh*1.0e-28);    // gy=force (N)
   gx=Math.sqrt((2*rhp[rv][4]*1.602177e-19)/me);  // gx=velocity (m/s)
    if (rv < 4) {gx=Math.sqrt((-teqq[rv][3]*1.602177e-19)/me);}  // only in carbon atom

   ggx=(me*gx*gx)/gy;                        // ggx="temporary" radius
   ggy=(2*pai*ggx*me*gx)/h;                  // ggy=number of de Broglie's waves contained in one orbit
   ex=(int)(ggy*1000);  ggy=ex/1000.0;
   elp[rv][10].setText("wn "+Double.toString(ggy));   
   }             
                                              

                          // --------------------- show picture
   int nmx[][]=new int[5][3]; int hpk[][]=new int[8][3]; 

 
  for (int yp=0; yp <=4; yp++) {
  for (int kj=0; kj <=2; kj++) {     // change MM to pixel in nuclei
  nmx[yp][kj]=(int)(nux[yp][kj]/71.428);
  }}
  for (int yp=0; yp <=7; yp++) {
  for (int kj=0; kj <=2; kj++) {     // change MM to pixel in electrons
  hpk[yp][kj]=(int)(hpr[yp][kj]/71.428);
  if (hpk[yp][kj] > 349) {hpk[yp][kj]=349;}
   if (hpk[yp][kj] < 1) {hpk[yp][kj]=1;}
  }}

  g.clearRect(9,299,1170,699);
  g.setColor(Color.cyan); g.drawLine(375,310,375,660); g.drawLine(735,310,735,660);

   g.setColor(Color.yellow);
    for (int rv=0; rv <=3; rv++) {
    g.drawLine(hpk[rv][0]+20,660-hpk[rv][1],nmx[0][0]+20,660-nmx[0][1]);
    g.drawLine(hpk[rv][0]+380,660-hpk[rv][2],nmx[0][0]+380,660-nmx[0][2]);
    g.drawLine(hpk[rv][1]+740,660-hpk[rv][2],nmx[0][1]+740,660-nmx[0][2]);
     }
 
  g.setColor(Color.white);           // show electron 0 (particle)    
  g.fillOval(hpk[0][0]+13,653-hpk[0][1],14,14); 
  g.fillOval(hpk[0][0]+373,653-hpk[0][2],14,14);
  g.fillOval(hpk[0][1]+733,653-hpk[0][2],14,14);
  
                                      // show electron 1
  g.fillOval(hpk[1][0]+13,653-hpk[1][1],14,14); 
  g.fillOval(hpk[1][0]+373,653-hpk[1][2],14,14);
  g.fillOval(hpk[1][1]+733,653-hpk[1][2],14,14);
                                     
  g.setColor(Color.red);              // show electron 2
  g.fillOval(hpk[2][0]+13,653-hpk[2][1],14,14);
  g.fillOval(hpk[2][0]+373,653-hpk[2][2],14,14);
  g.fillOval(hpk[2][1]+733,653-hpk[2][2],14,14);
  
                                      // show electron 3
  g.fillOval(hpk[3][0]+13,653-hpk[3][1],14,14);
  g.fillOval(hpk[3][0]+373,653-hpk[3][2],14,14);
  g.fillOval(hpk[3][1]+733,653-hpk[3][2],14,14);
    
                                       // show electron 4
  g.setColor(Color.green);
  g.fillOval(hpk[4][0]+13,653-hpk[4][1],14,14);
  g.fillOval(hpk[4][0]+373,653-hpk[4][2],14,14);
  g.fillOval(hpk[4][1]+733,653-hpk[4][2],14,14);
    
                                        // show electron 5
  g.fillOval(hpk[5][0]+13,653-hpk[5][1],14,14);
  g.fillOval(hpk[5][0]+373,653-hpk[5][2],14,14);
  g.fillOval(hpk[5][1]+733,653-hpk[5][2],14,14);
   
                                       // show electron 6
  g.setColor(Color.pink);
  g.fillOval(hpk[6][0]+13,653-hpk[6][1],14,14);
  g.fillOval(hpk[6][0]+373,653-hpk[6][2],14,14);
  g.fillOval(hpk[6][1]+733,653-hpk[6][2],14,14);
   
                                        // show electron 7
  g.fillOval(hpk[7][0]+13,653-hpk[7][1],14,14);
  g.fillOval(hpk[7][0]+373,653-hpk[7][2],14,14);
  g.fillOval(hpk[7][1]+733,653-hpk[7][2],14,14);

   g.setColor(Color.lightGray);         // show five nuclei
  for (int yp=0; yp <=4; yp++) {
  g.fillOval(nmx[yp][0]+10,650-nmx[yp][1],20,20);g.fillOval(370+nmx[yp][0],650-nmx[yp][2],20,20);
  g.fillOval(730+nmx[yp][1],650-nmx[yp][2],20,20);
  }
  
  g.setColor(Color.blue);              // show each particle's number
  for (int rw=0; rw <=7; rw++) {         
  g.drawString(Integer.toString(rw),hpk[rw][0]+17,665-hpk[rw][1]);
  g.drawString(Integer.toString(rw),hpk[rw][0]+377,665-hpk[rw][2] );
  g.drawString(Integer.toString(rw),hpk[rw][1]+737,665-hpk[rw][2] );
  }
 
  for (int rw=1; rw <=4; rw++) {         
  g.drawString("H"+Integer.toString(rw-1),nmx[rw][0]+13,665-nmx[rw][1]);
  g.drawString("H"+Integer.toString(rw-1),nmx[rw][0]+373,665-nmx[rw][2] );
  g.drawString("H"+Integer.toString(rw-1),nmx[rw][1]+733,665-nmx[rw][2] );
  }
   }
   }