Merge branch 'release-4-6', adds the nbnxn functionality

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

diff --git a/src/gromacs/legacyheaders/types/group.h b/src/gromacs/legacyheaders/types/group.h
index 0b407bb1fd11a00cea9da6d94105218cbba43e46..08b175670235f958a37b2db3bfa429a48943fb1b 100644 (file)
--- a/src/gromacs/legacyheaders/types/group.h
+++ b/src/gromacs/legacyheaders/types/group.h
@@ -71,6 +71,8 @@ typedef struct {
   gmx_bool         bNEMD;
   int          ngtc;            /* The number of T-coupling groups      */
   t_grp_tcstat *tcstat;         /* T-coupling data                     */
+  tensor       **ekin_work_alloc; /* Allocated locations of ekin_work   */
+  tensor       **ekin_work;     /* Work arrays for tcstat per thread    */
   int          ngacc;           /* The number of acceleration groups    */
   t_grp_acc    *grpstat;       /* Acceleration data                    */
   tensor       ekin;            /* overall kinetic energy               */