src/gmxlib/sheader.c

   1 /*
   2  * $Id$
   3  *
   4  *                This source code is part of
   5  *
   6  *                 G   R   O   M   A   C   S
   7  *
   8  *          GROningen MAchine for Chemical Simulations
   9  *
  10  *                        VERSION 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
  17  * modify it under the terms of the GNU General Public License
  18  * as published by the Free Software Foundation; either version 2
  19  * of the License, or (at your option) any later version.
  20  *
  21  * If you want to redistribute modifications, please consider that
  22  * scientific software is very special. Version control is crucial -
  23  * bugs must be traceable. We will be happy to consider code for
  24  * inclusion in the official distribution, but derived work must not
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  26  * files - if they are missing, get the official version at www.gromacs.org.
  27  *
  28  * To help us fund GROMACS development, we humbly ask that you cite
  29  * the papers on the package - you can find them in the top README file.
  30  *
  31  * For more info, check our website at http://www.gromacs.org
  32  *
  33  * And Hey:
  34  * GROningen Mixture of Alchemy and Childrens' Stories
  35  */
  36 /* This file is completely threadsafe - keep it that way! */
  37 #ifdef HAVE_CONFIG_H
  38 #include <config.h>
  39 #endif
  40
  41 #include <string.h>
  42 #include "sheader.h"
  43 #include "txtdump.h"
  44 #include "tpxio.h"
  45
  46
  47
  48 void pr_header(FILE *fp,int indent,char *title,t_tpxheader *sh)
  49 {
  50   if (available(fp,sh,title))
  51     {
  52       indent=pr_title(fp,indent,title);
  53       pr_indent(fp,indent);
  54       fprintf(fp,"bIr    = %spresent\n",sh->bIr?"":"not ");
  55       pr_indent(fp,indent);
  56       fprintf(fp,"bBox   = %spresent\n",sh->bBox?"":"not ");
  57       pr_indent(fp,indent);
  58       fprintf(fp,"bTop   = %spresent\n",sh->bTop?"":"not ");
  59       pr_indent(fp,indent);
  60       fprintf(fp,"bX     = %spresent\n",sh->bX?"":"not ");
  61       pr_indent(fp,indent);
  62       fprintf(fp,"bV     = %spresent\n",sh->bV?"":"not ");
  63       pr_indent(fp,indent);
  64       fprintf(fp,"bF     = %spresent\n",sh->bF?"":"not ");
  65
  66       pr_indent(fp,indent);
  67       fprintf(fp,"natoms = %d\n",sh->natoms);
  68       pr_indent(fp,indent);
  69       fprintf(fp,"step   = %d\n",sh->step);
  70       pr_indent(fp,indent);
  71       fprintf(fp,"t      = %e\n",sh->t);
  72       pr_indent(fp,indent);
  73       fprintf(fp,"lambda = %e\n",sh->lambda);
  74     }
  75 }