Pass forcerec arguments instead of forcerec to gmx_nb_free_energy_kernel

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / nb_free_energy.cpp

diff --git a/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp b/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
index 145c70f34077d54b40c54ef964e88bf8740c06a7..5b7e08454c12a3ddd7631849dbec5966a7aafba5 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
+++ b/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
@@ -447,7 +447,13 @@ protected:
         gmx_nb_free_energy_kernel(nbl,
                                   x_.arrayRefWithPadding().unpaddedArrayRef(),
                                   &forces,
-                                  fr,
+                                  fr.use_simd_kernels,
+                                  fr.ntype,
+                                  fr.rlist,
+                                  *fr.ic,
+                                  fr.shift_vec,
+                                  fr.nbfp,
+                                  fr.ljpme_c6grid,
                                   input_.atoms.chargeA,
                                   input_.atoms.chargeB,
                                   input_.atoms.typeA,