biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Convert nbnxn_atomdata_t to C++
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
nbnxn_kernels
/
simd_4xn
/
nbnxn_kernel_simd_4xn_prune.cpp
diff --git
a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_prune.cpp
b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_prune.cpp
index 8a84c9348454a9b822a5a26450cf403e080fe425..e7f829c47b09ad69326219143bdf4482595e7738 100644
(file)
--- a/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_prune.cpp
+++ b/
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_prune.cpp
@@
-67,7
+67,7
@@
nbnxn_kernel_prune_4xn(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);