Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_2xnn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_2xnn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_2xnn.c
index 8895d918c7a86c141745becd3b3ae6bfa295caa1..dc919db9e1f9a0298fb7a6fa816d031cd8564268 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_2xnn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJFSw_F_2xnn.c
@@ -48,8 +48,8 @@
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
-/* Use no LJ combination rule */
 #define LJ_FORCE_SWITCH
+/* Use full LJ combination matrix */
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN