Convert nbnxn_pairlist_set_t to class PairlistSet

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm_setup.cpp

diff --git a/src/gromacs/nbnxm/nbnxm_setup.cpp b/src/gromacs/nbnxm/nbnxm_setup.cpp
index 023f78c6852614ac3af89177907eb45d53144cea..d88ca578724b15cc2ee2efa1cd5a05b439024ba6 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_setup.cpp
+++ b/src/gromacs/nbnxm/nbnxm_setup.cpp
@@ -299,11 +299,13 @@ nonbonded_verlet_t::PairlistSets::PairlistSets(const NbnxnListParameters &listPa
     params_(listParams),
     minimumIlistCountForGpuBalancing_(minimumIlistCountForGpuBalancing)
 {
-    localSet_ = std::make_unique<nbnxn_pairlist_set_t>(params_);
+    localSet_ = std::make_unique<PairlistSet>(Nbnxm::InteractionLocality::Local,
+                                              params_);
 
     if (haveMultipleDomains)
     {
-        nonlocalSet_ = std::make_unique<nbnxn_pairlist_set_t>(params_);
+        nonlocalSet_ = std::make_unique<PairlistSet>(Nbnxm::InteractionLocality::NonLocal,
+                                                     params_);
     }
 }
 
@@ -382,6 +384,7 @@ init_nb_verlet(const gmx::MDLogger     &mdlog,
     const bool          haveMultipleDomains = (DOMAINDECOMP(cr) && cr->dd->nnodes > 1);
 
     NbnxnListParameters listParams(kernelSetup.kernelType,
+                                   bFEP_NonBonded,
                                    ir->rlist,
                                    havePPDomainDecomposition(cr));