Use ListOfLists in gmx_mtop_t and gmx_localtop_t

[alexxy/gromacs.git] / src / gromacs / nbnxm / pairlistset.h

diff --git a/src/gromacs/nbnxm/pairlistset.h b/src/gromacs/nbnxm/pairlistset.h
index d0e930330c54202269dabe7b4878d6dc9332f38c..1133846a6bccdcf774b632c5af7be9742cae762c 100644 (file)
--- a/src/gromacs/nbnxm/pairlistset.h
+++ b/src/gromacs/nbnxm/pairlistset.h
@@ -62,9 +62,14 @@ struct nbnxn_atomdata_t;
 struct PairlistParams;
 struct PairsearchWork;
 struct SearchCycleCounting;
-struct t_blocka;
 struct t_nrnb;
 
+namespace gmx
+{
+template<typename>
+class ListOfLists;
+}
+
 namespace Nbnxm
 {
 class GridSet;
@@ -85,7 +90,7 @@ public:
     void constructPairlists(const Nbnxm::GridSet&         gridSet,
                             gmx::ArrayRef<PairsearchWork> searchWork,
                             nbnxn_atomdata_t*             nbat,
-                            const t_blocka*               excl,
+                            const gmx::ListOfLists<int>&  exclusions,
                             int                           minimumIlistCountForGpuBalancing,
                             t_nrnb*                       nrnb,
                             SearchCycleCounting*          searchCycleCounting);