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Update some nbnxm kernel constants to constexpr
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
kernels_simd_4xm
/
kernel_outer.h
diff --git
a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
index e115c9b8ce6d7afc6a0cc1c757230a5c8a8f6b50..3559f2bbf183d10db3e0a8d43cdf514f3ca3aed2 100644
(file)
--- a/
src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
+++ b/
src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
@@
-329,7
+329,7
@@
rcvdw2_S = SimdReal(ic->rvdw * ic->rvdw);
#endif
- minRsq_S = SimdReal(
NBNXN_MIN_RSQ
);
+ minRsq_S = SimdReal(
c_nbnxnMinDistanceSquared
);
const real* gmx_restrict q = nbatParams.q.data();
const real facel = ic->epsfac;