Merge 'release-4-6' into master

[alexxy/gromacs.git] / src / gromacs / legacyheaders / types / nblist.h

diff --git a/src/gromacs/legacyheaders/types/nblist.h b/src/gromacs/legacyheaders/types/nblist.h
index 1e189cd7ef9a3eb5736426ad192eb507694d3b12..c4786511fee8ca70f767e4c11e5b0f208999cece 100644 (file)
--- a/src/gromacs/legacyheaders/types/nblist.h
+++ b/src/gromacs/legacyheaders/types/nblist.h
@@ -79,6 +79,14 @@ typedef struct
     void *          kernelptr_vf;
     void *          kernelptr_v;
     void *          kernelptr_f;
+
+    /* Pad the list of neighbors for each i atom with "-1" entries up to the
+     * simd_padding_width, if it is larger than 0. This is necessary for many
+     * accelerated kernels using single-instruction multiple-data operations
+     * internally.
+     */
+    int             simd_padding_width;
+
 } t_nblist;