Robust/src/Benchmarks/oooJava/moldyn/backup/Particle.java

   1 public class Particle {
   2
   3     public float xcoord, ycoord, zcoord;
   4     public float xvelocity,yvelocity,zvelocity;
   5     int id;
   6     //float [][] sh_force;
   7     //float [][][] sh_force2;
   8     MD md;
   9
  10     public Particle(float xcoord, float ycoord, float zcoord, float xvelocity,
  11             float yvelocity,float zvelocity,/*float [][] sh_force,
  12             float [][][] sh_force2, int id, */MD m) {
  13
  14         this.xcoord = xcoord;
  15         this.ycoord = ycoord;
  16         this.zcoord = zcoord;
  17         this.xvelocity = xvelocity;
  18         this.yvelocity = yvelocity;
  19         this.zvelocity = zvelocity;
  20         //this.sh_force = sh_force;
  21         //this.sh_force2 = sh_force2;
  22         this.id=id;
  23         this.md=m;
  24     }
  25
  26     public void domove(float side,int part_id) {
  27         xcoord = xcoord + xvelocity + this.md.sh_force[0][part_id];
  28         ycoord = ycoord + yvelocity + this.md.sh_force[1][part_id];
  29         zcoord = zcoord + zvelocity + this.md.sh_force[2][part_id];
  30
  31         if(xcoord < 0) { xcoord = xcoord + side; }
  32         if(xcoord > side) { xcoord = xcoord - side; }
  33         if(ycoord < 0) { ycoord = ycoord + side; }
  34         if(ycoord > side) { ycoord = ycoord - side; }
  35         if(zcoord < 0) { zcoord = zcoord + side; }
  36         if(zcoord > side) { zcoord = zcoord - side; }
  37
  38         xvelocity = xvelocity + this.md.sh_force[0][part_id];
  39         yvelocity = yvelocity + this.md.sh_force[1][part_id];
  40         zvelocity = zvelocity + this.md.sh_force[2][part_id];
  41         //System.printI(0xc0);
  42     }
  43
  44     public void force(float side, float rcoff,int mdsize,int x, MDRunner runner) {
  45         float sideh;
  46         float rcoffs;
  47
  48         float fxi,fyi,fzi;
  49         float rd,rrd,rrd2,rrd3,rrd4,rrd6,rrd7,r148;
  50         float forcex,forcey,forcez;
  51
  52         float xx, yy, zz;
  53
  54         sideh = (float)0.5*side;
  55         rcoffs = rcoff*rcoff;
  56
  57         fxi = (float)0.0;
  58         fyi = (float)0.0;
  59         fzi = (float)0.0;
  60         //System.printString("here 111: " + runner.id + "\n");
  61         for (int i=x+1;i<mdsize;i++) {
  62             xx = this.xcoord - this.md.one[i].xcoord;
  63             yy = this.ycoord - this.md.one[i].ycoord;
  64             zz = this.zcoord - this.md.one[i].zcoord;
  65
  66             if(xx < (-sideh)) { xx = xx + side; }
  67             if(xx > (sideh))  { xx = xx - side; }
  68             if(yy < (-sideh)) { yy = yy + side; }
  69             if(yy > (sideh))  { yy = yy - side; }
  70             if(zz < (-sideh)) { zz = zz + side; }
  71             if(zz > (sideh))  { zz = zz - side; }
  72
  73
  74             rd = xx*xx + yy*yy + zz*zz;
  75
  76             if(rd <= rcoffs) {
  77                 rrd = (float)1.0/rd;
  78                 rrd2 = rrd*rrd;
  79                 rrd3 = rrd2*rrd;
  80                 rrd4 = rrd2*rrd2;
  81                 rrd6 = rrd2*rrd4;
  82                 rrd7 = rrd6*rrd;
  83                 runner.epot = runner.epot + (rrd6 - rrd3);
  84                 r148 = rrd7 - (float)0.5*rrd4;
  85                 runner.vir = runner.vir - rd*r148;
  86                 forcex = xx * r148;
  87                 fxi = fxi + forcex;
  88
  89                 runner.sh_force2[0][i] = runner.sh_force2[0][i] - forcex;
  90
  91                 forcey = yy * r148;
  92                 fyi = fyi + forcey;
  93
  94                 runner.sh_force2[1][i] = runner.sh_force2[1][i] - forcey;
  95
  96                 forcez = zz * r148;
  97                 fzi = fzi + forcez;
  98
  99                 runner.sh_force2[2][i] = runner.sh_force2[2][i] - forcez;
 100
 101                 //this.md.interacts[id]++;
 102             }
 103
 104         }
 105         //System.printString("here 222: " + runner.id + "\n");
 106         runner.sh_force2[0][x] = runner.sh_force2[0][x] + fxi;
 107         runner.sh_force2[1][x] = runner.sh_force2[1][x] + fyi;
 108         runner.sh_force2[2][x] = runner.sh_force2[2][x] + fzi;
 109         //System.printString("here 333: " + runner.id + "\n");
 110     }
 111
 112     public float mkekin(float hsq2,int part_id) {
 113         float sumt = (float)0.0;
 114
 115         xvelocity = xvelocity + this.md.sh_force[0][part_id];
 116         yvelocity = yvelocity + this.md.sh_force[1][part_id];
 117         zvelocity = zvelocity + this.md.sh_force[2][part_id];
 118
 119         sumt = (xvelocity*xvelocity)+(yvelocity*yvelocity)+(zvelocity*zvelocity);
 120         return sumt;
 121     }
 122
 123     public float velavg(float vaverh,float h) {
 124         float velt;
 125         float sq;
 126
 127         sq = Math.sqrtf(xvelocity*xvelocity + yvelocity*yvelocity + zvelocity*zvelocity);
 128
 129         velt = sq;
 130         return velt;
 131     }
 132
 133     public void dscal(float sc,int incx) {
 134         xvelocity = xvelocity * sc;
 135         yvelocity = yvelocity * sc;
 136         zvelocity = zvelocity * sc;
 137     }
 138
 139 }