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/*
* $Id$
*
* This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
*
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
* Gromacs Runs On Most of All Computer Systems
*/
#ifndef _checkpoint_h
#define _checkpoint_h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include "typedefs.h"
#include "gmxfio.h"
/* Write a checkpoint to fn */
extern void write_checkpoint(char *fn,FILE *fplog,t_commrec *cr,
int eIntegrator,int simulation_part,int step,double t,
t_state *state);
/* Loads a checkpoint from fn for run continuation.
* Generates a fatal error on system size mismatch.
* The master node reads the file
* and communicates all the modified number of steps and the parallel setup,
* but not the state itself.
*/
extern void load_checkpoint(char *fn,FILE *fplog,
t_commrec *cr,bool bPartDecomp,ivec dd_nc,
t_inputrec *ir,t_state *state,bool *bReadRNG,
bool *bReadEkin,
bool bTruncateOutputFiles);
/* 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.
*/
extern void read_checkpoint_state(char *fn,int *simulation_part,int *step,double *t,t_state *state);
/* Read everything that can be stored in t_trxframe from a checkpoint file */
extern void read_checkpoint_trxframe(int fp,t_trxframe *fr);
/* Print the complete contents of checkpoint file fn to out */
extern void list_checkpoint(char *fn,FILE *out);
/* Read just the simulation 'generation'. This is necessary already at the beginning of mdrun,
* to be able to rename the logfile correctly.
*/
int
read_checkpoint_simulation_part(char *filename);
#endif
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