* used in runner.c and md.c.
* (These variables should be stored in the tpx file.)
*/
-extern gmx_large_int_t deform_init_init_step_tpx;
+extern gmx_int64_t deform_init_init_step_tpx;
extern matrix deform_init_box_tpx;
extern tMPI_Thread_mutex_t deform_init_box_mutex;
int ExpandedEnsembleDynamics(FILE *log, t_inputrec *ir, gmx_enerdata_t *enerd,
t_state *state, t_extmass *MassQ, int fep_state, df_history_t *dfhist,
- gmx_large_int_t step, gmx_rng_t mcrng,
+ gmx_int64_t step, gmx_rng_t mcrng,
rvec *v, t_mdatoms *mdatoms);
void PrintFreeEnergyInfoToFile(FILE *outfile, t_lambda *fep, t_expanded *expand, t_simtemp *simtemp, df_history_t *dfhist,
- int fep_state, int frequency, gmx_large_int_t step);
+ int fep_state, int frequency, gmx_int64_t step);
void get_mc_state(gmx_rng_t rng, t_state *state);
real rdd, real rconstr, const char *dddlb_opt, real dlb_scale,
const char *ddcsx, const char *ddcsy, const char *ddcsz,
const char *nbpu_opt, int nstlist_cmdline,
- gmx_large_int_t nsteps_cmdline, int nstepout, int resetstep,
+ gmx_int64_t nsteps_cmdline, int nstepout, int resetstep,
int nmultisim, int repl_ex_nst, int repl_ex_nex,
int repl_ex_seed, real pforce, real cpt_period, real max_hours,
const char *deviceOptions, unsigned long Flags);