Enable TPI with the Verlet cut-off scheme

[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 6715fef9c2c5cca5936fbd9d140159110c7896ac..e87e6363c5a09f786daab12d104d321ce2cc8553 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_setup.cpp
+++ b/src/gromacs/nbnxm/nbnxm_setup.cpp
@@ -472,6 +472,7 @@ init_nb_verlet(const gmx::MDLogger     &mdlog,
 
     auto pairSearch =
         std::make_unique<PairSearch>(ir->ePBC,
+                                     EI_TPI(ir->eI),
                                      DOMAINDECOMP(cr) ? &cr->dd->nc : nullptr,
                                      DOMAINDECOMP(cr) ? domdec_zones(cr->dd) : nullptr,
                                      pairlistParams.pairlistType,