/*
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*
- * This source code is part of
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+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
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*/
#ifndef _checkpoint_h
#define _checkpoint_h
-#include "typedefs.h"
-#include "gmxfio.h"
+#include "gromacs/fileio/filenm.h"
+#include "gromacs/fileio/gmxfio.h"
+#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
extern "C" {
* Appends the _step<step>.cpt with bNumberAndKeep,
* otherwise moves the previous <fn>.cpt to <fn>_prev.cpt
*/
-void write_checkpoint(const char *fn,gmx_bool bNumberAndKeep,
- FILE *fplog,t_commrec *cr,
- int eIntegrator, int simulation_part,
- gmx_bool bExpanded, int elamstats,
- gmx_large_int_t step,double t,
- t_state *state);
+void write_checkpoint(const char *fn, gmx_bool bNumberAndKeep,
+ FILE *fplog, t_commrec *cr,
+ int eIntegrator, int simulation_part,
+ gmx_bool bExpanded, int elamstats,
+ gmx_int64_t step, double t,
+ t_state *state);
/* Loads a checkpoint from fn for run continuation.
* Generates a fatal error on system size mismatch.
* With bAppend and bForceAppend: truncate anyhow if the system does not
* support file locking.
*/
-void load_checkpoint(const char *fn,FILE **fplog,
- t_commrec *cr,gmx_bool bPartDecomp,ivec dd_nc,
- t_inputrec *ir,t_state *state,gmx_bool *bReadRNG,
- gmx_bool *bReadEkin,gmx_bool bAppend,gmx_bool bForceAppend);
+void load_checkpoint(const char *fn, FILE **fplog,
+ t_commrec *cr, ivec dd_nc,
+ t_inputrec *ir, t_state *state,
+ gmx_bool *bReadEkin,
+ gmx_bool bAppend, gmx_bool bForceAppend);
/* Read the state from checkpoint file.
* Arrays in state that are NULL are allocated.
* If bReadRNG=TRUE a RNG state compatible with the current
* number of nodes was read.
*/
-void read_checkpoint_state(const char *fn,int *simulation_part,
- gmx_large_int_t *step,double *t,t_state *state);
+void read_checkpoint_state(const char *fn, int *simulation_part,
+ gmx_int64_t *step, double *t, t_state *state);
/* Read everything that can be stored in t_trxframe from a checkpoint file */
-void read_checkpoint_trxframe(t_fileio *fp,t_trxframe *fr);
+void read_checkpoint_trxframe(t_fileio *fp, t_trxframe *fr);
/* Print the complete contents of checkpoint file fn to out */
-void list_checkpoint(const char *fn,FILE *out);
+void list_checkpoint(const char *fn, FILE *out);
/* Read just the simulation 'generation' and with bAppendReq check files.
* This is necessary already at the beginning of mdrun,
* When TRUE is returned, bAddPart will tell whether the simulation part
* needs to be added to the output file name.
*/
-gmx_bool read_checkpoint_simulation_part(const char *filename,int *simulation_part,
- gmx_large_int_t *step,t_commrec *cr,
- gmx_bool bAppendReq,
- int nfile,const t_filenm fnm[],
- const char *part_suffix,gmx_bool *bAddPart);
+gmx_bool read_checkpoint_simulation_part(const char *filename, int *simulation_part,
+ gmx_int64_t *step, t_commrec *cr,
+ gmx_bool bAppendReq,
+ int nfile, const t_filenm fnm[],
+ const char *part_suffix, gmx_bool *bAddPart);
#ifdef __cplusplus
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff