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Implemented LJ-PME nbnxn kernels
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
nbnxn_kernels
/
simd_4xn
/
nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn.c
diff --git
a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn.c
b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn.c
index e024054af98b04d45fe70c1a70e5eee761b5068c..806e2592232370716b361790ef61a7362967e365 100644
(file)
--- a/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn.c
+++ b/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombLB_VgrpF_4xn.c
@@
-47,6
+47,7
@@
#include "nbnxn_kernel_simd_4xn.h"
#define CALC_COUL_EWALD
+#define LJ_CUT
#define LJ_COMB_LB
#define CALC_ENERGIES
#define ENERGY_GROUPS