Corrected parameter for sorting on search grid

[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 fc42e6093566bca679cda924585feaff2fece613..e8e94fdfdedde8797668401b9a68b3062d17063f 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_internal.h
+++ b/src/gromacs/mdlib/nbnxn_internal.h
@@ -97,6 +97,7 @@ typedef struct {
 typedef struct {
     rvec          c0;               /* The lower corner of the (local) grid        */
     rvec          c1;               /* The upper corner of the (local) grid        */
+    rvec          size;             /* c1 - c0                                     */
     real          atom_density;     /* The atom number density for the local grid  */
 
     gmx_bool      bSimple;          /* Is this grid simple or super/sub            */