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_alloc; /* Allocated locations for *_work members */
tensor **ekin_work; /* Work arrays for tcstat per thread */
+ real **dekindl_work; /* Work location for dekindl per thread */
int ngacc; /* The number of acceleration groups */
t_grp_acc *grpstat; /* Acceleration data */
tensor ekin; /* overall kinetic energy */