Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_2xnn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_2xnn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_2xnn.c
index 563e1da1ea0821c8288986c470ae1ef54b918b22..f2136020bdc5a15283b1c20537c8f8fef519e6b1 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_2xnn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombGeom_VF_2xnn.c
@@ -47,6 +47,7 @@
 #include "nbnxn_kernel_simd_2xnn.h"
 
 #define CALC_COUL_TAB
+#define LJ_CUT
 #define LJ_COMB_GEOM
 #define CALC_ENERGIES