bMaster ? ma->atomGroups.data() : nullptr,
dd->ncg_home*sizeof(int), dd->globalAtomGroupIndices.data());
- /* Determine the home charge group sizes */
- const t_block &globalAtomGroups = dd->comm->cgs_gl;
- dd->atomGrouping_.clear();
- for (int i = 0; i < dd->ncg_home; i++)
- {
- dd->atomGrouping_.appendBlock(globalAtomGroups.blockSize(dd->globalAtomGroupIndices[i]));
- }
-
if (debug)
{
fprintf(debug, "Home charge groups:\n");