Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_ElecRF_VdwLJCombLB_F_2xnn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecRF_VdwLJCombLB_F_2xnn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecRF_VdwLJCombLB_F_2xnn.c
index 907749b66823cb511e83a5dcf78395fd716f7aaa..7bd991cf80eca405b553a04850a91783f77087c2 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecRF_VdwLJCombLB_F_2xnn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecRF_VdwLJCombLB_F_2xnn.c
@@ -47,6 +47,7 @@
 #include "nbnxn_kernel_simd_2xnn.h"
 
 #define CALC_COUL_RF
+#define LJ_CUT
 #define LJ_COMB_LB
 /* Will not calculate energies */