Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_4xn / nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn.c
index a33a35ac006bd4985fbdee6c0afa41634d988d67..2b604bb7fcdb3f64e29e8c7bf69f399faab3c7e4 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecQSTab_VdwLJ_F_4xn.c
@@ -47,7 +47,8 @@
 #include "nbnxn_kernel_simd_4xn.h"
 
 #define CALC_COUL_TAB
-/* Use no LJ combination rule */
+#define LJ_CUT
+/* Use full LJ combination matrix */
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN