/*
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 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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#ifndef _repl_ex_h
#define _repl_ex_h

#include "typedefs.h"

/* Abstract type for replica exchange */
typedef struct gmx_repl_ex *gmx_repl_ex_t;

extern gmx_repl_ex_t init_replica_exchange(FILE *fplog,
					   const gmx_multisim_t *ms,
					   const t_state *state,
					   const t_inputrec *ir,
					   int nst,int init_seed);
/* Should only be called on the master nodes */

extern gmx_bool replica_exchange(FILE *fplog,
			     const t_commrec *cr,
			     gmx_repl_ex_t re,
			     t_state *state,real *ener,
			     t_state *state_local,
			     int step,real time);
/* Attempts replica exchange, should be called on all nodes.
 * Returns TRUE if this state has been exchanged.
 * When running each replica in parallel,
 * this routine collects the state on the master node before exchange.
 * With particle the state is redistributed over the nodes after exchange.
 * With domain decomposition the global state after exchanged in stored
 * in state and still needs to be redistributed over the nodes.
 */

extern void print_replica_exchange_statistics(FILE *fplog,gmx_repl_ex_t re);
/* Should only be called on the master nodes */

extern void pd_distribute_state(const t_commrec *cr,t_state *state);
/* Distributes the state after exchange for particle decomposition */

#endif	/* _repl_ex_h */
