1 public class MDRunner {
11 public int ilow, iupper;
17 public float [][] sh_force2;
26 public MDRunner(int id, MD m) {
31 this.mdsize = this.md.mdsize;
32 this.group = this.md.group;
33 this.side = this.md.side;
34 this.rcoff = this.mm/(float)4.0;
35 // this.rcoffs = this.rcoff * this.rcoff;
36 //this.sideh = this.side * 0.5;
37 //this.npartm = this.mdsize - 1;
39 int slice = (this.mdsize - 1) / this.group + 1;
40 this.ilow = this.id * slice;
41 this.iupper = (this.id+1) * slice;
42 if (this.iupper > this.mdsize ) {
45 sh_force2 = new float[3][this.mdsize];
47 this.one = this.md.one;
48 this.epot = (float)0.0;//this.md.epot[id+1];
49 this.vir = (float)0.0;//this.md.vir[id+1];
50 this.ek = (float)0.0;//this.md.ek[id+1];
54 this.epot = (float)0.0;
55 this.vir = (float)0.0;
56 for(int i = 0; i < this.mdsize; i++) {
57 for(int j = 0; j < 3; j++) {
58 this.sh_force2[j][i] = (float)0.0;
65 //System.printString("here 1: " + this.id + "\n");
66 for (int i = this.ilow; i < this.iupper; i++) {
67 one[i].force(side,rcoff,mdsize,i,this);
69 //System.printString("here 2: " + this.id + "\n");