Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_2xnn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_2xnn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_2xnn.c
index 373ebba108c2376599c7d6392705cf18ca81f1fc..0182f56c9531602dba7d78390076866aba0391fe 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_2xnn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecQSTab_VdwLJCombLB_F_2xnn.c
@@ -47,6 +47,7 @@
 #include "nbnxn_kernel_simd_2xnn.h"
 
 #define CALC_COUL_TAB
+#define LJ_CUT
 #define LJ_COMB_LB
 /* Will not calculate energies */