Convert nbnxn_atomdata_t to C++

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_simd_2xnn_prune.cpp

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_prune.cpp b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_prune.cpp
index 96323e49a40069070dc2396432d9b27e5eaa6935..daca1cd809ab885556aa38b58187dcb6814047b6 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_prune.cpp
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_prune.cpp
@@ -67,7 +67,7 @@ nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu *         nbl,
     nbnxn_cj_t       * gmx_restrict cjInner  = nbl->cj.data();
 
     const real       * gmx_restrict shiftvec = shift_vec[0];
-    const real       * gmx_restrict x        = nbat->x;
+    const real       * gmx_restrict x        = nbat->x().data();
 
     const SimdReal                  rlist2_S(rlistInner*rlistInner);