#define MD_DDBONDCOMM (1<<11)
#define MD_CONFOUT (1<<12)
#define MD_REPRODUCIBLE (1<<13)
-#define MD_READ_RNG (1<<14)
#define MD_APPENDFILES (1<<15)
#define MD_APPENDFILESSET (1<<21)
#define MD_KEEPANDNUMCPT (1<<16)
void init_npt_masses(t_inputrec *ir, t_state *state, t_extmass *MassQ, gmx_bool bInit);
-void init_expanded_ensemble(gmx_bool bStateFromCP, t_inputrec *ir, gmx_rng_t *mcrng, df_history_t *dfhist);
+void init_expanded_ensemble(gmx_bool bStateFromCP, t_inputrec *ir, df_history_t *dfhist);
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_int64_t step, gmx_rng_t mcrng,
+ gmx_int64_t step,
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_int64_t step);
-void get_mc_state(gmx_rng_t rng, t_state *state);
-
-void set_mc_state(gmx_rng_t rng, t_state *state);
-
/* check the version */
void check_ir_old_tpx_versions(t_commrec *cr, FILE *fplog,
t_inputrec *ir, gmx_mtop_t *mtop);
/* Allocate and initialize node-local state entries. */
-void set_state_entries(t_state *state, const t_inputrec *ir, int nnodes);
+void set_state_entries(t_state *state, const t_inputrec *ir);
-/* Broadcast the data for a simulation, and allocate node-specific settings
- such as rng generators. */
+/* Broadcast the data for a simulation, and allocate node-specific settings */
void init_parallel(t_commrec *cr, t_inputrec *inputrec,
gmx_mtop_t *mtop);