- pse_name[itom->element],itom->r.x+ox,itom->r.y+oy,itom->r.z+oz,
- "Green",itom->ekin);
-
- for(j=0;j<27;j++) {
- this=&(n[j]);
- list_reset_f(this);
-
- if(this->start==NULL)
- continue;
-
- do {
-
- jtom=this->current->data;
-
- if(jtom==itom)
- continue;
-
- v3_sub(&dist,&(itom->r),&(jtom->r));
- check_per_bound(&moldyn,&dist);
- d=v3_norm(&dist);
-
- if(d<=radius) {
- printf("%s %f %f %f %s %f\n",
- pse_name[jtom->element],
- jtom->r.x+ox,jtom->r.y+oy,jtom->r.z+oz,
- (jtom->tag==ma)?"Red":pse_col[jtom->element],
- jtom->ekin);
- }
-
- } while(list_next_f(this)!=L_NO_NEXT_ELEMENT);
- }
+ pse_name[atom->element],atom->r.x+data.ox,atom->r.y+data.oy,
+ atom->r.z+data.oz,"Green",atom->ekin);