Avoid comparing Simd types to real 0 when making masks in NB FEP kernel.

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

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
index 214e41a9d93de0b01c29b8a0db279bbb4b6e5e79..85f998cfc546412a2fafffbac2623f846656fe4a 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
@@ -864,12 +864,12 @@ static void nb_free_energy_kernel(const t_nblist&
                         if constexpr (vdwInteractionTypeIsEwald)
                         {
                             computeVdwInteraction =
-                                    (r < rVdw && (c6[i] != 0 || c12[i] != 0) && bPairIncluded);
+                                    (r < rVdw && (c6[i] != zero || c12[i] != zero) && bPairIncluded);
                         }
                         else
                         {
                             computeVdwInteraction =
-                                    (rV < rVdw && (c6[i] != 0 || c12[i] != 0) && bPairIncluded);
+                                    (rV < rVdw && (c6[i] != zero || c12[i] != zero) && bPairIncluded);
                         }
                         if (gmx::anyTrue(computeVdwInteraction))
                         {