gmx_bool bSumEkinhOld, int flags);
/* Communicate statistics over cr->mpi_comm_mysim */
-int do_per_step(gmx_large_int_t step, gmx_large_int_t nstep);
+int do_per_step(gmx_int64_t step, gmx_int64_t nstep);
/* Return TRUE if io should be done */
/* ROUTINES from sim_util.c */
void print_time(FILE *out, gmx_walltime_accounting_t walltime_accounting,
- gmx_large_int_t step, t_inputrec *ir, t_commrec *cr);
+ gmx_int64_t step, t_inputrec *ir, t_commrec *cr);
void print_date_and_time(FILE *log, int pid, const char *title,
const gmx_walltime_accounting_t walltime_accounting);
void calc_enervirdiff(FILE *fplog, int eDispCorr, t_forcerec *fr);
void calc_dispcorr(FILE *fplog, t_inputrec *ir, t_forcerec *fr,
- gmx_large_int_t step, int natoms,
+ gmx_int64_t step, int natoms,
matrix box, real lambda, tensor pres, tensor virial,
real *prescorr, real *enercorr, real *dvdlcorr);