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Turn nbnxn_grid_t into a class
[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 2e43db5fc661148a191f501bcac6ce7d9d68a4bd..aa851aff680f5aff09521337a92b100bbe2fdc6d 100644
(file)
--- a/
src/gromacs/nbnxm/nbnxm_setup.cpp
+++ b/
src/gromacs/nbnxm/nbnxm_setup.cpp
@@
-460,6
+460,7
@@
init_nb_verlet(const gmx::MDLogger &mdlog,
std::make_unique<nbnxn_search>(ir->ePBC,
DOMAINDECOMP(cr) ? &cr->dd->nc : nullptr,
DOMAINDECOMP(cr) ? domdec_zones(cr->dd) : nullptr,
+ listParams.pairlistType,
bFEP_NonBonded,
gmx_omp_nthreads_get(emntPairsearch));