Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_4xn / nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn.c
index 2104429a91c3f34ddd3b9df3aa7004c6bc27a3eb..6ea91013e8595b9313728467a6a43ff5a26765d6 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xn.c
@@ -48,6 +48,7 @@
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
+#define LJ_CUT
 #define LJ_COMB_LB
 #define CALC_ENERGIES
 #define ENERGY_GROUPS