comm = dd->comm;
- const RangePartitioning &atomGrouping = dd->atomGrouping();
+ const gmx::RangePartitioning &atomGrouping = dd->atomGrouping();
nzone = 1;
nat_tot = comm->atomRanges.numHomeAtoms();
comm = dd->comm;
- const RangePartitioning &atomGrouping = dd->atomGrouping();
+ const gmx::RangePartitioning &atomGrouping = dd->atomGrouping();
nzone = comm->zones.n/2;
nat_tot = comm->atomRanges.end(DDAtomRanges::Type::Zones);
comm = dd->comm;
- const RangePartitioning &atomGrouping = dd->atomGrouping();
+ const gmx::RangePartitioning &atomGrouping = dd->atomGrouping();
nzone = 1;
nat_tot = comm->atomRanges.numHomeAtoms();
comm->bInterCGMultiBody = FALSE;
}
- dd->bInterCGcons = inter_charge_group_constraints(*mtop);
- dd->bInterCGsettles = inter_charge_group_settles(*mtop);
+ dd->bInterCGcons = gmx::inter_charge_group_constraints(*mtop);
+ dd->bInterCGsettles = gmx::inter_charge_group_settles(*mtop);
if (ir->rlist == 0)
{
if (dd->bInterCGcons && options.constraintCommunicationRange <= 0)
{
/* There is a cell size limit due to the constraints (P-LINCS) */
- rconstr = constr_r_max(fplog, mtop, ir);
+ rconstr = gmx::constr_r_max(fplog, mtop, ir);
if (fplog)
{
fprintf(fplog,
}
}
-static void make_cell2at_index(gmx_domdec_comm_dim_t *cd,
- int nzone,
- int atomGroupStart,
- const RangePartitioning &atomGroups)
+static void make_cell2at_index(gmx_domdec_comm_dim_t *cd,
+ int nzone,
+ int atomGroupStart,
+ const gmx::RangePartitioning &atomGroups)
{
/* Store the atom block boundaries for easy copying of communication buffers
*/