include/nsb.h

   1 /*
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  36
  37 #ifndef _nsb_h
  38 #define _nsb_h
  39
  40 #ifdef HAVE_CONFIG_H
  41 #include <config.h>
  42 #endif
  43
  44 extern void calc_nsbshift(FILE *fp,t_nsborder *nsb);
  45 /* Calculates the shift and bshift variables */
  46
  47 extern void calc_nsb(FILE *fp,t_block *cgs,int nprocs,
  48                      t_nsborder *nsb,int nstDlb);
  49 /* Calculate which blocks of charge groups should be calculated,
  50  * depending on processor number.
  51  */
  52
  53 extern void print_nsb(FILE *fp,char *title,t_nsborder *nsb);
  54 /* Print the values to file */
  55
  56 /*extern bool cg_avail(int icg,int jcg,t_nsborder *nsb);*/
  57 /* Determine whether a charge group jcg is in the domain of icg:
  58  * this is necessary for searching on a grid, to avoid double
  59  * pairs of interactions.
  60  */
  61
  62 /*extern int  cg_index(int icg,t_nsborder *nsb);*/
  63 /* Perform a modulo calculation giving the correct cg index */
  64
  65 #endif