include/sortwater.h

   1 /*
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   9  *                        VERSION 3.2.0
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  35
  36 #ifndef _sortwater_h
  37 #define _sortwater_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "typedefs.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49 extern void randwater(int astart,int nwater,int nwatom,
  50                       rvec x[],rvec v[],int *seed);
  51 /* Randomize the order of nwater molecules of length nwatom, the
  52  * first atom of which is at astart.
  53  * If v is not NULL it will be shuffled along
  54  */
  55
  56
  57 extern void sortwater(int astart,int nwater,int nwatom,rvec x[],rvec v[]);
  58 /* Sort the order of nwater molecules of length nwatom on X coordinate
  59  * If v is not NULL it will be shuffled along
  60  */
  61
  62 extern void mkcompact(int astart,int nwater,int nwatom,rvec x[],rvec v[],
  63                       int nnode,matrix box);
  64 /* Make compact subboxes */
  65
  66 #ifdef __cplusplus
  67 }
  68 #endif
  69
  70 #endif