include/renum.h

   1 /*
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   3  *                This source code is part of
   4  *
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
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  35
  36 #ifndef _renum_h
  37 #define _renum_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43
  44 #include "typedefs.h"
  45
  46 #ifdef __cplusplus
  47 extern "C" {
  48 #endif
  49
  50 extern void renum_params(t_topology *top,int renum[]);
  51      /*
  52       * The atom id's in the parameters for the bonded forces will be
  53       * renumbered according to the order specified in renum.
  54       *
  55       * renum[i]=j specifies that atom i will be at postion j after
  56       * renum_params.
  57       */
  58
  59 extern void renumber_top(t_topology *top,rvec *x,rvec *v,rvec *f,int renum[]);
  60      /*
  61       * All atoms in the topology top will be renumbered according to the order
  62       * specified in renum. The vector array's x,v & f will also be renumbered.
  63       *
  64       * renum[i]=j specifies that atom i will be at postion j after
  65       * renumber_top.
  66       */
  67
  68 #ifdef __cplusplus
  69 }
  70 #endif
  71
  72 #endif  /* _renum_h */