Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_internal.h

diff --git a/src/gromacs/mdlib/nbnxn_internal.h b/src/gromacs/mdlib/nbnxn_internal.h
index 0a7a187438d31271949ce6b7301cd8caeac05bd0..f88d0ba43121da7bff96150ebeec98af6561bbee 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_internal.h
+++ b/src/gromacs/mdlib/nbnxn_internal.h
@@ -151,6 +151,12 @@ typedef struct nbnxn_list_work {
     int                     ncj_noq;   /* Nr. of cluster pairs without Coul for flop count  */
     int                     ncj_hlj;   /* Nr. of cluster pairs with 1/2 LJ for flop count   */
 
+    int                    *sort;            /* Sort index                    */
+    int                     sort_nalloc;     /* Allocation size of sort       */
+
+    nbnxn_sci_t            *sci_sort;        /* Second sci array, for sorting */
+    int                     sci_sort_nalloc; /* Allocation size of sci_sort   */
+
     gmx_cache_protect_t     cp1;       /* Protect cache between threads               */
 } nbnxn_list_work_t;