Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_4xn / nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn.c
index 8ab2694b0d1dfd5c2943abc3f24833c69cceb15c..8b7c2e3396464b5bbcf96d2d8e8d22e0fbdf684f 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_4xn.c
@@ -47,6 +47,7 @@
 #include "nbnxn_kernel_simd_4xn.h"
 
 #define CALC_COUL_RF
+#define LJ_CUT
 #define LJ_COMB_GEOM
 #define CALC_ENERGIES