include/enxio.h

   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 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _enxio_h
  31 #define _enxio_h
  32
  33 static char *SRCID_enxio_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) enerio.h 1.13 2/2/97"
  37 #endif /* HAVE_IDENT */
  38
  39 #ifdef CPLUSPLUS
  40 external "C" {
  41 #endif
  42
  43   /**************************************************************
  44    *
  45    * The routines in the corresponding c-file enxio.c
  46    * are based on the lower level routines in gmxfio.c
  47    * The integer file pointer returned from open_enx
  48    * can also be used with the routines in gmxfio.h
  49    *
  50    **************************************************************/
  51
  52 #include "sysstuff.h"
  53 #include "typedefs.h"
  54 #include "xdrf.h"
  55
  56   /* New energy reading and writing interface */
  57   extern int open_enx(char *fn,char *mode);
  58
  59   extern void close_enx(int fp_ene);
  60
  61   extern void do_enxnms(int fp_ene,int *nre,char ***nms);
  62
  63   extern bool do_enx(int fp_ene,real *t,int *step,int *nre,
  64                      t_energy ener[],int *ndr,t_drblock *drblock);
  65
  66
  67
  68
  69
  70 #ifdef CPLUSPLUS
  71 }
  72 #endif
  73
  74 #endif  /* _enerio_h */