include/nsb.h

   1 /*
   2  *
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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.
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  35
  36 #ifndef _nsb_h
  37 #define _nsb_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 extern t_nsborder *calc_nsb(FILE *fp,t_block *cgs,int nprocs,int nodeid,
  44                             int *multinr);
  45 /* Calculate which blocks of charge groups should be calculated,
  46  * depending on processor number.
  47  * multinr is not used with nprocs=1.
  48  */
  49
  50 extern void print_nsb(FILE *fp,char *title,int nnodes,t_nsborder *nsb);
  51 /* Print the values to file */
  52
  53 /*extern bool cg_avail(int icg,int jcg,t_nsborder *nsb);*/
  54 /* Determine whether a charge group jcg is in the domain of icg:
  55  * this is necessary for searching on a grid, to avoid double
  56  * pairs of interactions.
  57  */
  58
  59 /*extern int  cg_index(int icg,t_nsborder *nsb);*/
  60 /* Perform a modulo calculation giving the correct cg index */
  61
  62 #endif