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Implemented LJ-PME nbnxn kernels
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
nbnxn_kernels
/
simd_4xn
/
nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn.c
diff --git
a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn.c
b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn.c
index a49d7694523b9561fda8ef130732b7fcf6c719f8..a77ee987a3fa2c6d25c34854ed6799507d7b2742 100644
(file)
--- a/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn.c
+++ b/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecRF_VdwLJCombGeom_F_4xn.c
@@
-47,6
+47,7
@@
#include "nbnxn_kernel_simd_4xn.h"
#define CALC_COUL_RF
+#define LJ_CUT
#define LJ_COMB_GEOM
/* Will not calculate energies */