Unverified Commit 006ada3a authored by jtclemm's avatar jtclemm Committed by GitHub
Browse files

Sorting atom callback lists

parent 14fb49c1
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+40 −5
Original line number Diff line number Diff line
@@ -2050,7 +2050,7 @@ void Atom::setup_sort_bins()

void Atom::add_callback(int flag)
{
  int ifix;
  int ifix, i, j;

  // find the fix
  // if find NULL ptr:
@@ -2062,28 +2062,63 @@ void Atom::add_callback(int flag)
  for (ifix = 0; ifix < modify->nfix; ifix++)
    if (modify->fix[ifix] == NULL) break;

  // add callback to lists, reallocating if necessary
  // insert callback into sorted lists, reallocating if necessary
  // sorting is required in cases where fixes were replaced as it ensures atom
  // data is read/written/transfered in the same order that fixes are called

  if (flag == 0) {
    if (nextra_grow == nextra_grow_max) {
      nextra_grow_max += DELTA;
      memory->grow(extra_grow,nextra_grow_max,"atom:extra_grow");
    }

    for(i = 0; i < nextra_grow; i ++)
        if(ifix < extra_grow[i]) break;

    if(i == nextra_grow) {
      extra_grow[nextra_grow] = ifix;
    } else {
      for(j = nextra_grow-1; j >= i; j --)
          extra_grow[j+1] = extra_grow[j];
      extra_grow[i] = ifix;
    }

    nextra_grow++;
  } else if (flag == 1) {
    if (nextra_restart == nextra_restart_max) {
      nextra_restart_max += DELTA;
      memory->grow(extra_restart,nextra_restart_max,"atom:extra_restart");
    }

    for(i = 0; i < nextra_restart; i ++)
        if(ifix < extra_restart[i]) break;

    if(i == nextra_restart) {
      extra_restart[nextra_restart] = ifix;
    } else {
      for(j = nextra_restart-1; j >= i; j --)
          extra_restart[j+1] = extra_restart[j];
      extra_restart[i] = ifix;
    }     

    nextra_restart++;
  } else if (flag == 2) {
    if (nextra_border == nextra_border_max) {
      nextra_border_max += DELTA;
      memory->grow(extra_border,nextra_border_max,"atom:extra_border");
    }

    for(i = 0; i < nextra_border; i ++)
        if(ifix < extra_border[i]) break;

    if(i == nextra_border) {
      extra_border[nextra_border] = ifix;
    } else {
      for(j = nextra_border-1; j >= i; j --)
          extra_border[j+1] = extra_border[j];
      extra_border[i] = ifix;
    }

    nextra_border++;
  }
}