Hold unique_ptr to gmx_ewald_tab_t in forcerec

[alexxy/gromacs.git] / src / gromacs / mdlib / force.cpp

diff --git a/src/gromacs/mdlib/force.cpp b/src/gromacs/mdlib/force.cpp
index b53ab898c23c567eeaf7a25c6b2172ff45f1f0f1..5bb62cd5b2c378c10c3e407b1d64eae32eba6c8b 100644 (file)
--- a/src/gromacs/mdlib/force.cpp
+++ b/src/gromacs/mdlib/force.cpp
@@ -282,7 +282,7 @@ void calculateLongRangeNonbondeds(t_forcerec*                   fr,
                              fr->ic->ewaldcoeff_q,
                              lambda[static_cast<int>(FreeEnergyPerturbationCouplingType::Coul)],
                              &ewaldOutput.dvdl[FreeEnergyPerturbationCouplingType::Coul],
-                             fr->ewald_table);
+                             fr->ewald_table.get());
         }
 
         /* Note that with separate PME nodes we get the real energies later */