- nsid = merge_sid(at_start, at_end, nsid, sid, sblock);
- /* Now sort the shake blocks again... */
- /*qsort(sid,natoms,(size_t)sizeof(sid[0]),sid_comp);*/
-
- /* Fill the sblock struct */
- /* sblock->nr = nsid;
- sblock->nra = natoms;
- srenew(sblock->a,sblock->nra);
- srenew(sblock->index,sblock->nr+1);
-
- i = i0;
- isid = sid[i].sid;
- n = k = 0;
- sblock->index[n++]=k;
- while (i < natoms) {
- istart = sid[i].atom;
- while ((i<natoms-1) && (sid[i+1].sid == isid))
- i++;*/
- /* After while: we found a new block, or are thru with the atoms */
- /* for(j=istart; (j<=sid[i].atom); j++,k++)
- sblock->a[k]=j;
- sblock->index[n] = k;
- if (i < natoms-1)
- n++;
- if (n > nsid)
- gmx_fatal(FARGS,"Death Horror: nsid = %d, n= %d",nsid,n);
- i++;
- isid = sid[i].sid;
- }
- */
+ merge_sid(at_start, at_end, nsid, sid, sblock);