return numBondedInteractions;
}
-int dd_make_local_top(gmx_domdec_t* dd,
- gmx_domdec_zones_t* zones,
- int npbcdim,
- matrix box,
- rvec cellsize_min,
- const ivec npulse,
- t_forcerec* fr,
- ArrayRef<const RVec> coordinates,
- const gmx_mtop_t& mtop,
- gmx_localtop_t* ltop)
+int dd_make_local_top(gmx_domdec_t* dd,
+ gmx_domdec_zones_t* zones,
+ int npbcdim,
+ matrix box,
+ rvec cellsize_min,
+ const ivec npulse,
+ t_forcerec* fr,
+ ArrayRef<const RVec> coordinates,
+ const gmx_mtop_t& mtop,
+ gmx::ArrayRef<const int64_t> atomInfo,
+ gmx_localtop_t* ltop)
{
real rc = -1;
ivec rcheck;
<op->idef,
<op->excls);
- /* The ilist is not sorted yet,
- * we can only do this when we have the charge arrays.
- */
- ltop->idef.ilsort = ilsortUNKNOWN;
-
- return numBondedInteractionsToReduce;
-}
-
-void dd_sort_local_top(const gmx_domdec_t& dd, gmx::ArrayRef<const int64_t> atomInfo, gmx_localtop_t* ltop)
-{
- if (dd.reverse_top->doSorting())
+ if (dd->reverse_top->doListedForcesSorting())
{
gmx_sort_ilist_fe(<op->idef, atomInfo);
}
{
ltop->idef.ilsort = ilsortNO_FE;
}
+
+ return numBondedInteractionsToReduce;
}