include/renum.h

   1 /*
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   9  *                        VERSION 3.2.0
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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 extern void renum_params(t_topology *top,int renum[]);
  47      /*
  48       * The atom id's in the parameters for the bonded forces will be
  49       * renumbered according to the order specified in renum.
  50       *
  51       * renum[i]=j specifies that atom i will be at postion j after
  52       * renum_params.
  53       */
  54
  55 extern void renumber_top(t_topology *top,rvec *x,rvec *v,rvec *f,int renum[]);
  56      /*
  57       * All atoms in the topology top will be renumbered according to the order
  58       * specified in renum. The vector array's x,v & f will also be renumbered.
  59       *
  60       * renum[i]=j specifies that atom i will be at postion j after
  61       * renumber_top.
  62       */
  63
  64 #endif  /* _renum_h */