include/nsb.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
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   6  *
   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.
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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 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 extern t_nsborder *calc_nsb(FILE *fp,t_block *cgs,int nprocs,int nodeid,
  48                             int *multinr);
  49 /* Calculate which blocks of charge groups should be calculated,
  50  * depending on processor number.
  51  * multinr is not used with nprocs=1.
  52  */
  53
  54 extern void print_nsb(FILE *fp,char *title,int nnodes,t_nsborder *nsb);
  55 /* Print the values to file */
  56
  57 /*extern bool cg_avail(int icg,int jcg,t_nsborder *nsb);*/
  58 /* Determine whether a charge group jcg is in the domain of icg:
  59  * this is necessary for searching on a grid, to avoid double
  60  * pairs of interactions.
  61  */
  62
  63 /*extern int  cg_index(int icg,t_nsborder *nsb);*/
  64 /* Perform a modulo calculation giving the correct cg index */
  65
  66 #ifdef __cplusplus
  67 }
  68 #endif
  69
  70 #endif